Nuclear charge radii: density functional theory meets Bayesian neural networks

NASA Astrophysics Data System (ADS)

Utama, R.; Chen, Wei-Chia; Piekarewicz, J.

2016-11-01

The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. The aim of this study is to explore a novel approach that combines sophisticated models of nuclear structure with Bayesian neural networks (BNN) to generate predictions for the charge radii of thousands of nuclei throughout the nuclear chart. A class of relativistic energy density functionals is used to provide robust predictions for nuclear charge radii. In turn, these predictions are refined through Bayesian learning for a neural network that is trained using residuals between theoretical predictions and the experimental data. Although predictions obtained with density functional theory provide a fairly good description of experiment, our results show significant improvement (better than 40%) after BNN refinement. Moreover, these improved results for nuclear charge radii are supplemented with theoretical error bars. We have successfully demonstrated the ability of the BNN approach to significantly increase the accuracy of nuclear models in the predictions of nuclear charge radii. However, as many before us, we failed to uncover the underlying physics behind the intriguing behavior of charge radii along the calcium isotopic chain.

A differential equation for the Generalized Born radii.

PubMed

Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

2013-06-28

The Generalized Born (GB) model offers a convenient way of representing electrostatics in complex macromolecules like proteins or nucleic acids. The computation of atomic GB radii is currently performed by different non-local approaches involving volume or surface integrals. Here we obtain a non-linear second-order partial differential equation for the Generalized Born radius, which may be solved using local iterative algorithms. The equation is derived under the assumption that the usual GB approximation to the reaction field obeys Laplace's equation. The equation admits as particular solutions the correct GB radii for the sphere and the plane. The tests performed on a set of 55 different proteins show an overall agreement with other reference GB models and "perfect" Poisson-Boltzmann based values.

Contribution of Lattice Distortion to Solid Solution Strengthening in a Series of Refractory High Entropy Alloys

NASA Astrophysics Data System (ADS)

Chen, H.; Kauffmann, A.; Laube, S.; Choi, I.-C.; Schwaiger, R.; Huang, Y.; Lichtenberg, K.; Müller, F.; Gorr, B.; Christ, H.-J.; Heilmaier, M.

2018-03-01

We present an experimental approach for revealing the impact of lattice distortion on solid solution strengthening in a series of body-centered-cubic (bcc) Al-containing, refractory high entropy alloys (HEAs) from the Nb-Mo-Cr-Ti-Al system. By systematically varying the Nb and Cr content, a wide range of atomic size difference as a common measure for the lattice distortion was obtained. Single-phase, bcc solid solutions were achieved by arc melting and homogenization as well as verified by means of scanning electron microscopy and X-ray diffraction. The atomic radii of the alloying elements for determination of atomic size difference were recalculated on the basis of the mean atomic radii in and the chemical compositions of the solid solutions. Microhardness (μH) at room temperature correlates well with the deduced atomic size difference. Nevertheless, the mechanisms of microscopic slip lead to pronounced temperature dependence of mechanical strength. In order to account for this particular feature, we present a combined approach, using μH, nanoindentation, and compression tests. The athermal proportion to the yield stress of the investigated equimolar alloys is revealed. These parameters support the universality of this aforementioned correlation. Hence, the pertinence of lattice distortion for solid solution strengthening in bcc HEAs is proven.

Wigner-Seitz local-environment study of the high-T/sub c/ superconductors

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

Melamud, M.; Bennett, L.H.; Watson, R.E.

The near-neighbor environments and the bonding of atoms in the high-T/sub c/ superconductors are studied using a Wigner-Seitz-cell contruction. Assuming metallic radii for the atoms, it is shown that the Ba, Y, and La atoms have large coordination numbers, implying a three-dimensional bonding scheme. The La-Cu-O type (approx. =40 K) and the Y-Ba-Cu-O type (approx. =90 K) superconductors both display the same bonding characteristics.

Study on the dynamics responses of a transmission system made from carbon nanotubes

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

Yin, Hang; Cai, Kun, E-mail: kuicansj@163.com; Wei, Ning

2015-06-21

A rotational transmission system from coaxial carbon nanotubes (CNTs) is investigated using a computational molecular dynamics approach. The system consists of a motor from a single-walled carbon nanotube and a bearing from a double-walled carbon nanotube. The motor has a high fixed rotational frequency and the two ends of the outer tube in the bearing are fixed. The inner tube in the bearing works as a rotor. Because of the interlayer friction in the bearing, configurations of the joint between the adjacent ends of motor and rotor have significant effects on rotational transmission properties. Four factors are considered in simulation,more » i.e., the bonding types of atoms (sp{sup 1} and sp{sup 2}) on the ends of motor and rotor, the difference between motor and rotor radii, the rotational speed of motor, and the environmental temperature. It is found that the synchronous transmission happens if the sp{sup 1} atoms on the jointed ends of motor and rotor are bonded each other and become new sp{sup 2} atoms. Therefore, the lower difference between radii of motor and rotor, higher temperature of environment leads to synchronous rotational transmission easily. If the environmental temperature is too low (e.g., <150 K), the end of motor adjacent to rotor is easily under buckling and new sp{sup 2} atoms appear, too. With capped CNTs or higher radii difference between rotor and motor at an appropriate temperature, a stable asynchronous rotation of rotor can be generated, and the rotor's frequency varying linearly with motor's frequency between 230 and 270 GHz. A multi-signal transmission device combined with oscillating and rotational motion is proposed for motor and stator shares a same size in radius.« less

Semiempirical potentials for positron scattering by atoms

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

Assafrao, Denise; Walters, H. R. J.; Arretche, Felipe

2011-08-15

We report calculations of differential and integral cross sections for positron scattering by noble gas and alkaline-earth atoms within the same methodology. The scattering potentials are constructed by scaling adiabatic potentials so that their minima coincide with the covalent radii of the target atoms. Elastic differential and integral cross sections are calculated for Ne, Ar, Be, and Mg, and the results are very close to experimental and best theoretical data. Particularly, elastic differential cross sections for Be and Mg at low energies are reported.

Gyration-radius dynamics in structural transitions of atomic clusters.

PubMed

Yanao, Tomohiro; Koon, Wang S; Marsden, Jerrold E; Kevrekidis, Ioannis G

2007-03-28

This paper is concerned with the structural transition dynamics of the six-atom Morse cluster with zero total angular momentum, which serves as an illustrative example of the general reaction dynamics of isolated polyatomic molecules. It develops a methodology that highlights the interplay between the effects of the potential energy topography and those of the intrinsic geometry of the molecular internal space. The method focuses on the dynamics of three coarse variables, the molecular gyration radii. By using the framework of geometric mechanics and hyperspherical coordinates, the internal motions of a molecule are described in terms of these three gyration radii and hyperangular modes. The gyration radii serve as slow collective variables, while the remaining hyperangular modes serve as rapidly oscillating "bath" modes. Internal equations of motion reveal that the gyration radii are subject to two different kinds of forces: One is the ordinary force that originates from the potential energy function of the system, while the other is an internal centrifugal force. The latter originates from the dynamical coupling of the gyration radii with the hyperangular modes. The effects of these two forces often counteract each other: The potential force generally works to keep the internal mass distribution of the system compact and symmetric, while the internal centrifugal force works to inflate and elongate it. Averaged fields of these two forces are calculated numerically along a reaction path for the structural transition of the molecule in the three-dimensional space of gyration radii. By integrating the sum of these two force fields along the reaction path, an effective energy curve is deduced, which quantifies the gross work necessary for the system to change its mass distribution along the reaction path. This effective energy curve elucidates the energy-dependent switching of the structural preference between symmetric and asymmetric conformations. The present methodology should be of wide use for the systematic reduction of dimensionality as well as for the identification of kinematic barriers associated with the rearrangement of mass distribution in a variety of molecular reaction dynamics in vacuum.

Gyration-radius dynamics in structural transitions of atomic clusters

NASA Astrophysics Data System (ADS)

Yanao, Tomohiro; Koon, Wang S.; Marsden, Jerrold E.; Kevrekidis, Ioannis G.

2007-03-01

This paper is concerned with the structural transition dynamics of the six-atom Morse cluster with zero total angular momentum, which serves as an illustrative example of the general reaction dynamics of isolated polyatomic molecules. It develops a methodology that highlights the interplay between the effects of the potential energy topography and those of the intrinsic geometry of the molecular internal space. The method focuses on the dynamics of three coarse variables, the molecular gyration radii. By using the framework of geometric mechanics and hyperspherical coordinates, the internal motions of a molecule are described in terms of these three gyration radii and hyperangular modes. The gyration radii serve as slow collective variables, while the remaining hyperangular modes serve as rapidly oscillating "bath" modes. Internal equations of motion reveal that the gyration radii are subject to two different kinds of forces: One is the ordinary force that originates from the potential energy function of the system, while the other is an internal centrifugal force. The latter originates from the dynamical coupling of the gyration radii with the hyperangular modes. The effects of these two forces often counteract each other: The potential force generally works to keep the internal mass distribution of the system compact and symmetric, while the internal centrifugal force works to inflate and elongate it. Averaged fields of these two forces are calculated numerically along a reaction path for the structural transition of the molecule in the three-dimensional space of gyration radii. By integrating the sum of these two force fields along the reaction path, an effective energy curve is deduced, which quantifies the gross work necessary for the system to change its mass distribution along the reaction path. This effective energy curve elucidates the energy-dependent switching of the structural preference between symmetric and asymmetric conformations. The present methodology should be of wide use for the systematic reduction of dimensionality as well as for the identification of kinematic barriers associated with the rearrangement of mass distribution in a variety of molecular reaction dynamics in vacuum.

Atomic Gas in Blue Ultra Diffuse Galaxies around Hickson Compact Groups

NASA Astrophysics Data System (ADS)

Spekkens, Kristine; Karunakaran, Ananthan

2018-03-01

We have found the atomic gas (H I) reservoirs of the blue ultra diffuse galaxy (UDG) candidates identified by Róman and Trujillo in images near Hickson Compact Groups (HCGs). We confirm that all of the objects are indeed UDGs with effective radii {R}e> 1.5 kpc. Three of them are likely to be gravitationally bound to the HCG near which they project, one is plausibly gravitationally bound to the nearest HCG, and one is in the background. We measure H I masses and velocity widths for each object directly from the spectra, and use the widths together with the UDG effective radii to estimate dynamical masses and halo spin parameters. The location of the blue UDGs in the H I mass–stellar mass plane is consistent with that of the broader gas-rich galaxy population, and both their H I masses and gas richnesses are correlated with their effective radii. The blue UDGs appear to be low-mass objects with high-spin halos, although their properties are not as extreme as those of the faintest diffuse objects found in H I searches. The data presented here highlight the potential of single-dish radio observations for measuring the physical properties of blue diffuse objects detected in the optical.

A revised set of values of single-bond radii derived from the observed interatomic distances in metals by correction for bond number and resonance energy

PubMed Central

Pauling, Linus; Kamb, Barclay

1986-01-01

An earlier discussion [Pauling, L. (1947) J. Am. Chem. Soc. 69, 542] of observed bond lengths in elemental metals with correction for bond number and resonance energy led to a set of single-bond metallic radii with values usually somewhat less than the corresponding values obtained from molecules and complex ions. A theory of resonating covalent bonds has now been developed that permits calculation of the number of resonance structures per atom and of the effective resonance energy per bond. With this refined method of correcting the observed bond lengths for the effect of resonance energy, a new set of single-bond covalent radii, in better agreement with values from molecules and complex ions, has been constructed. PMID:16593698

Coordination radii in diamond, zinc blende, and CaF2 structures

NASA Astrophysics Data System (ADS)

Hall, George L.

1982-07-01

The radii of all ''shells'' of atoms about any lattice point are given for these three structures, and for the zinc blende (AB) and CaF2 (AB2) structures it is shown that all shells about an A origin and all shells about a B origin are of pure type, i.e., contain only A's or only B's. The initial sequence (small radii) of shell types does not continue indefinitely and is broken according to rules completely specified. These results are analogous to those reported by Hall and Christy earlier for the NaCl and CsCl structures in which the ABABABṡṡṡ sequence for NaCl and the ABAABAABAAṡṡṡ for CsCl, both taken about an A origin, do not continue indefinitely. It is shown that Ferris-Prabhu's results for diamond violate theorem 1 of Hall and Christy.

Charge radii and electromagnetic moments of At-211195

NASA Astrophysics Data System (ADS)

Cubiss, J. G.; Barzakh, A. E.; Seliverstov, M. D.; Andreyev, A. N.; Andel, B.; Antalic, S.; Ascher, P.; Atanasov, D.; Beck, D.; Bieroń, J.; Blaum, K.; Borgmann, Ch.; Breitenfeldt, M.; Capponi, L.; Cocolios, T. E.; Day Goodacre, T.; Derkx, X.; De Witte, H.; Elseviers, J.; Fedorov, D. V.; Fedosseev, V. N.; Fritzsche, S.; Gaffney, L. P.; George, S.; Ghys, L.; Heßberger, F. P.; Huyse, M.; Imai, N.; Kalaninová, Z.; Kisler, D.; Köster, U.; Kowalska, M.; Kreim, S.; Lane, J. F. W.; Liberati, V.; Lunney, D.; Lynch, K. M.; Manea, V.; Marsh, B. A.; Mitsuoka, S.; Molkanov, P. L.; Nagame, Y.; Neidherr, D.; Nishio, K.; Ota, S.; Pauwels, D.; Popescu, L.; Radulov, D.; Rapisarda, E.; Revill, J. P.; Rosenbusch, M.; Rossel, R. E.; Rothe, S.; Sandhu, K.; Schweikhard, L.; Sels, S.; Truesdale, V. L.; Van Beveren, C.; Van den Bergh, P.; Wakabayashi, Y.; Van Duppen, P.; Wendt, K. D. A.; Wienholtz, F.; Whitmore, B. W.; Wilson, G. L.; Wolf, R. N.; Zuber, K.

2018-05-01

Hyperfine-structure parameters and isotope shifts of At-211195 have been measured for the first time at CERN-ISOLDE, using the in-source resonance-ionization spectroscopy method. The hyperfine structures of isotopes were recorded using a triad of experimental techniques for monitoring the photo-ion current. The Multi-Reflection Time-of-Flight Mass Spectrometer, in connection with a high-resolution electron multiplier, was used as an ion-counting setup for isotopes that either were affected by strong isobaric contamination or possessed a long half-life; the ISOLDE Faraday cups were used for cases with high-intensity beams; and the Windmill decay station was used for short-lived, predominantly α -decaying nuclei. The electromagnetic moments and changes in the mean-square charge radii of the astatine nuclei have been extracted from the measured hyperfine-structure constants and isotope shifts. This was only made possible by dedicated state-of-the-art large-scale atomic computations of the electronic factors and the specific mass shift of atomic transitions in astatine that are needed for these extractions. By comparison with systematics, it was possible to assess the reliability of the results of these calculations and their ascribed uncertainties. A strong deviation in the ground-state mean-square charge radii of the lightest astatine isotopes, from the trend of the (spherical) lead isotopes, is interpreted as the result of an onset of deformation. This behavior bears a resemblance to the deviation observed in the isotonic polonium isotopes. Cases for shape coexistence have been identified in At,199197, for which a significant difference in the charge radii for ground (9 /2- ) and isomeric (1 /2+ ) states has been observed.

Variational Monte Carlo Method with Dirichlet Boundary Conditions: Application to the Study of Confined Systems by Impenetrable Surfaces with Different Symmetries.

PubMed

Sarsa, Antonio; Le Sech, Claude

2011-09-13

Variational Monte Carlo method is a powerful tool to determine approximate wave functions of atoms, molecules, and solids up to relatively large systems. In the present work, we extend the variational Monte Carlo approach to study confined systems. Important properties of the atoms, such as the spatial distribution of the electronic charge, the energy levels, or the filling of electronic shells, are modified under confinement. An expression of the energy very similar to the estimator used for free systems is derived. This opens the possibility to study confined systems with little changes in the solution of the corresponding free systems. This is illustrated by the study of helium atom in its ground state (1)S and the first (3)S excited state confined by spherical, cylindrical, and plane impenetrable surfaces. The average interelectronic distances are also calculated. They decrease in general when the confinement is stronger; however, it is seen that they present a minimum for excited states under confinement by open surfaces (cylindrical, planes) around the radii values corresponding to ionization. The ground (2)S and the first (2)P and (2)D excited states of the lithium atom are calculated under spherical constraints for different confinement radii. A crossing between the (2)S and (2)P states is observed around rc = 3 atomic units, illustrating the modification of the atomic energy level under confinement. Finally the carbon atom is studied in the spherical symmetry by using both variational and diffusion Monte Carlo methods. It is shown that the hybridized state sp(3) becomes lower in energy than the ground state (3)P due to a modification and a mixing of the atomic orbitals s, p under strong confinement. This result suggests a model, at least of pedagogical interest, to interpret the basic properties of carbon atom in chemistry.

Insufficiency of the Young’s modulus for illustrating the mechanical behavior of GaN nanowires

NASA Astrophysics Data System (ADS)

Zamani Kouhpanji, Mohammad Reza; Behzadirad, Mahmoud; Feezell, Daniel; Busani, Tito

2018-05-01

We use a non-classical modified couple stress theory including the acceleration gradients (MCST-AG), to precisely demonstrate the size dependency of the mechanical properties of gallium nitride (GaN) nanowires (NWs). The fundamental elastic constants, Young’s modulus and length scales of the GaN NWs were estimated both experimentally, using a novel experimental technique applied to atomic force microscopy, and theoretically, using atomic simulations. The Young’s modulus, static and the dynamic length scales, calculated with the MCST-AG, were found to be 323 GPa, 13 and 14.5 nm, respectively, for GaN NWs from a few nanometers radii to bulk radii. Analyzing the experimental data using the classical continuum theory shows an improvement in the experimental results by introducing smaller error. Using the length scales determined in MCST-AG, we explain the inconsistency of the Young’s moduli reported in recent literature, and we prove the insufficiency of the Young’s modulus for predicting the mechanical behavior of GaN NWs.

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

Garcia Ruiz, R. F.; Bissell, M. L.; Blaum, K.

Here, despite being a complex many-body system, the atomic nucleus exhibits simple structures for certain ‘magic’ numbers of protons and neutrons. The calcium chain in particular is both unique and puzzling: evidence of doubly magic features are known in 40,48Ca, and recently suggested in two radioactive isotopes, 52,54Ca. Although many properties of experimentally known calcium isotopes have been successfully described by nuclear theory, it is still a challenge to predict the evolution of their charge radii. Here we present the first measurements of the charge radii of 49,51,52Ca, obtained from laser spectroscopy experiments at ISOLDE, CERN. The experimental results aremore » complemented by state-of-the-art theoretical calculations. The large and unexpected increase of the size of the neutron-rich calcium isotopes beyond N = 28 challenges the doubly magic nature of 52Ca and opens new intriguing questions on the evolution of nuclear sizes away from stability, which are of importance for our understanding of neutron-rich atomic nuclei.« less

Cavity Versus Ligand Shape Descriptors: Application to Urokinase Binding Pockets.

PubMed

Cerisier, Natacha; Regad, Leslie; Triki, Dhoha; Camproux, Anne-Claude; Petitjean, Michel

2017-11-01

We analyzed 78 binding pockets of the human urokinase plasminogen activator (uPA) catalytic domain extracted from a data set of crystallized uPA-ligand complexes. These binding pockets were computed with an original geometric method that does NOT involve any arbitrary parameter, such as cutoff distances, angles, and so on. We measured the deviation from convexity of each pocket shape with the pocket convexity index (PCI). We defined a new pocket descriptor called distributional sphericity coefficient (DISC), which indicates to which extent the protein atoms of a given pocket lie on the surface of a sphere. The DISC values were computed with the freeware PCI. The pocket descriptors and their high correspondences with ligand descriptors are crucial for polypharmacology prediction. We found that the protein heavy atoms lining the urokinases binding pockets are either located on the surface of their convex hull or lie close to this surface. We also found that the radii of the urokinases binding pockets and the radii of their ligands are highly correlated (r = 0.9).

Insufficiency of the Young's modulus for illustrating the mechanical behavior of GaN nanowires.

PubMed

Kouhpanji, Mohammad Reza Zamani; Behzadirad, Mahmoud; Feezell, Daniel; Busani, Tito

2018-05-18

We use a non-classical modified couple stress theory including the acceleration gradients (MCST-AG), to precisely demonstrate the size dependency of the mechanical properties of gallium nitride (GaN) nanowires (NWs). The fundamental elastic constants, Young's modulus and length scales of the GaN NWs were estimated both experimentally, using a novel experimental technique applied to atomic force microscopy, and theoretically, using atomic simulations. The Young's modulus, static and the dynamic length scales, calculated with the MCST-AG, were found to be 323 GPa, 13 and 14.5 nm, respectively, for GaN NWs from a few nanometers radii to bulk radii. Analyzing the experimental data using the classical continuum theory shows an improvement in the experimental results by introducing smaller error. Using the length scales determined in MCST-AG, we explain the inconsistency of the Young's moduli reported in recent literature, and we prove the insufficiency of the Young's modulus for predicting the mechanical behavior of GaN NWs.

The Rydberg constant and proton size from atomic hydrogen

NASA Astrophysics Data System (ADS)

Beyer, Axel; Maisenbacher, Lothar; Matveev, Arthur; Pohl, Randolf; Khabarova, Ksenia; Grinin, Alexey; Lamour, Tobias; Yost, Dylan C.; Hänsch, Theodor W.; Kolachevsky, Nikolai; Udem, Thomas

2017-10-01

At the core of the “proton radius puzzle” is a four-standard deviation discrepancy between the proton root-mean-square charge radii (rp) determined from the regular hydrogen (H) and the muonic hydrogen (µp) atoms. Using a cryogenic beam of H atoms, we measured the 2S-4P transition frequency in H, yielding the values of the Rydberg constant R∞ = 10973731.568076(96) per meterand rp = 0.8335(95) femtometer. Our rp value is 3.3 combined standard deviations smaller than the previous H world data, but in good agreement with the µp value. We motivate an asymmetric fit function, which eliminates line shifts from quantum interference of neighboring atomic resonances.

Molecular Volumes and the Stokes-Einstein Equation

ERIC Educational Resources Information Center

Edward, John T.

1970-01-01

Examines the limitations of the Stokes-Einstein equation as it applies to small solute molecules. Discusses molecular volume determinations by atomic increments, molecular models, molar volumes of solids and liquids, and molal volumes. Presents an empirical correction factor for the equation which applies to molecular radii as small as 2 angstrom…

Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements

NASA Astrophysics Data System (ADS)

Hu, Q.; Guo, S.; Wang, J. M.; Yan, Y. H.; Chen, S. S.; Lu, D. P.; Liu, K. M.; Zou, J. Z.; Zeng, X. R.

2017-01-01

Chemical and topological parameters have been widely used for predicting the phase selection in high-entropy alloys (HEAs). Nevertheless, previous studies could be faulted due to the small number of available data points, the negligence of kinetic effects, and the insensitivity to small compositional changes. Here in this work, 92 TiZrHfM, TiZrHfMM, TiZrHfMMM (M = Fe, Cr, V, Nb, Al, Ag, Cu, Ni) HEAs were prepared by melt spinning, to build a reliable and sufficiently large material database to inspect the robustness of previously established parameters. Modification of atomic radii by considering the change of local electronic environment in alloys, was critically found out to be superior in distinguishing the formation of amorphous and crystalline alloys, when compared to using atomic radii of pure elements in topological parameters. Moreover, crystal structures of alloying element were found to play an important role in the amorphous phase formation, which was then attributed to how alloying hexagonal-close-packed elements and face-centered-cubic or body-centered-cubic elements can affect the mixing enthalpy. Findings from this work not only provide parametric studies for HEAs with new and important perspectives, but also reveal possibly a hidden connection among some important concepts in various fields.

The nuclear size and mass effects on muonic hydrogen-like atoms embedded in Debye plasma

NASA Astrophysics Data System (ADS)

Poszwa, A.; Bahar, M. K.; Soylu, A.

2016-10-01

Effects of finite nuclear size and finite nuclear mass are investigated for muonic atoms and muonic ions embedded in the Debye plasma. Both nuclear charge radii and nuclear masses are taken into account with experimentally determined values. In particular, isotope shifts of bound state energies, radial probability densities, transition energies, and binding energies for several atoms are studied as functions of Debye length. The theoretical model based on semianalytical calculations, the Sturmian expansion method, and the perturbative approach has been constructed, in the nonrelativistic frame. For some limiting cases, the comparison with previous most accurate literature results has been made.

Proton Radii of 4,6,8He Isotopes from High-Precision Nucleon-Nucleon Interactions

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

Caurier, E; Navratil, P

2005-11-16

Recently, precision laser spectroscopy on {sup 6}He atoms determined accurately the isotope shift between {sup 4}He and {sup 6}He and, consequently, the charge radius of {sup 6}He. A similar experiment for {sup 8}He is under way. We have performed large-scale ab initio calculations for {sup 4,6,8}He isotopes using high-precision nucleon-nucleon (NN) interactions within the no-core shell model (NCSM) approach. With the CD-Bonn 2000 NN potential we found point-proton root-mean-square (rms) radii of {sup 4}He and {sup 6}He 1.45(1) fm and 1.89(4), respectively, in agreement with experiment and predict the {sup 8}He point proton rms radius to be 1.88(6) fm. Atmore » the same time, our calculations show that the recently developed nonlocal INOY NN potential gives binding energies closer to experiment, but underestimates the charge radii.« less

Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii

PubMed Central

2012-01-01

Background The Poisson-Boltzmann (PB) equation and its linear approximation have been widely used to describe biomolecular electrostatics. Generalized Born (GB) models offer a convenient computational approximation for the more fundamental approach based on the Poisson-Boltzmann equation, and allows estimation of pairwise contributions to electrostatic effects in the molecular context. Results We have implemented in a single program most common analyses of the electrostatic properties of proteins. The program first computes generalized Born radii, via a surface integral and then it uses generalized Born radii (using a finite radius test particle) to perform electrostic analyses. In particular the ouput of the program entails, depending on user's requirement: 1) the generalized Born radius of each atom; 2) the electrostatic solvation free energy; 3) the electrostatic forces on each atom (currently in a dvelopmental stage); 4) the pH-dependent properties (total charge and pH-dependent free energy of folding in the pH range -2 to 18; 5) the pKa of all ionizable groups; 6) the electrostatic potential at the surface of the molecule; 7) the electrostatic potential in a volume surrounding the molecule; Conclusions Although at the expense of limited flexibility the program provides most common analyses with requirement of a single input file in PQR format. The results obtained are comparable to those obtained using state-of-the-art Poisson-Boltzmann solvers. A Linux executable with example input and output files is provided as supplementary material. PMID:22536964

Cavity Versus Ligand Shape Descriptors: Application to Urokinase Binding Pockets

PubMed Central

Cerisier, Natacha; Regad, Leslie; Triki, Dhoha; Camproux, Anne-Claude

2017-01-01

Abstract We analyzed 78 binding pockets of the human urokinase plasminogen activator (uPA) catalytic domain extracted from a data set of crystallized uPA–ligand complexes. These binding pockets were computed with an original geometric method that does NOT involve any arbitrary parameter, such as cutoff distances, angles, and so on. We measured the deviation from convexity of each pocket shape with the pocket convexity index (PCI). We defined a new pocket descriptor called distributional sphericity coefficient (DISC), which indicates to which extent the protein atoms of a given pocket lie on the surface of a sphere. The DISC values were computed with the freeware PCI. The pocket descriptors and their high correspondences with ligand descriptors are crucial for polypharmacology prediction. We found that the protein heavy atoms lining the urokinases binding pockets are either located on the surface of their convex hull or lie close to this surface. We also found that the radii of the urokinases binding pockets and the radii of their ligands are highly correlated (r = 0.9). PMID:28570103

Spectroscopic and Vibrational Energy Transfer Studies in Molecular Bromine

DTIC Science & Technology

1993-12-01

sections were calculated with atomic and molecular radii derived for a (6,12) Lennard - Jones potential from viscosity data tabulated in reference (20). 2...Transfer With Rare Gas Collision Partners ...... 88 4.3.1 Argon .................................................................. 89 4.3.2 Helium ...configuration .................. 12 2 Hund’s cases correlation diagram ...................................................... 14 3 Br 2 potential energy curves

Bond-length relaxation in crystalline Si1-xGex alloys: An extended x-ray-absorption fine-structure study

NASA Astrophysics Data System (ADS)

Kajiyama, Hiroshi; Muramatsu, Shin-Ichi; Shimada, Toshikazu; Nishino, Yoichi

1992-06-01

Extended x-ray-absorption fine-structure spectra for crystalline Si1-xGex alloys, measured at the K edge of Ge at room temperature, are analyzed with a curve-fitting method based on the spherical-wave approximation. The Ge-Ge and Ge-Si bond lengths, coordination numbers of Ge and Si atoms around a Ge atom, and Debye-Waller factors of Ge and Si atoms are obtained. It is shown that Ge-Ge and Ge-Si bonds relax completely, for all Ge concentrations of their study, while the lattice constant varies monotonically, following Vegard's law. As noted by Bragg and later by Pauling and Huggins, the Ge-Ge and Ge-Si bond lengths are close to the sum of their constituent-element atomic radii: nearly 2.45 Å for Ge-Ge bonds and 2.40 Å for Ge-Si bonds. A study on the coordination around a Ge atom in the alloys revealed that Ge and Si atoms mix randomly throughout the compositional range studied.

Equilibrium vortex lattices of a binary rotating atomic Bose–Einstein condensate with unequal atomic masses

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

Dong, Biao; Wang, Lin-Xue; Chen, Guang-Ping

We perform a detailed numerical study of the equilibrium ground-state structures of a binary rotating Bose–Einstein condensate with unequal atomic masses. Our results show that the ground-state distribution and its related vortex configurations are complex events that differ markedly depending strongly on the strength of rotation frequency, as well as on the ratio of atomic masses. We also discuss the structures and radii of the clouds, the number and the size of the core region of the vortices, as a function of the rotation frequency, and of the ratio of atomic masses, and the analytical results agree well with ourmore » numerical simulations. This work may open an alternate way in the quantum control of the binary rotating quantum gases with unequal atomic masses. - Highlights: • A binary quantum gases with unequal atomic masses is considered. • Effects of the ratio of atomic masses and rotation frequency are discussed in full parameter space. • The detailed information about both the cloud and vortices are also discussed.« less

Charge Radii of Neutron Deficient Fe,5352 Produced by Projectile Fragmentation

NASA Astrophysics Data System (ADS)

Minamisono, K.; Rossi, D. M.; Beerwerth, R.; Fritzsche, S.; Garand, D.; Klose, A.; Liu, Y.; Maaß, B.; Mantica, P. F.; Miller, A. J.; Müller, P.; Nazarewicz, W.; Nörtershäuser, W.; Olsen, E.; Pearson, M. R.; Reinhard, P.-G.; Saperstein, E. E.; Sumithrarachchi, C.; Tolokonnikov, S. V.

2016-12-01

Bunched-beam collinear laser spectroscopy is performed on neutron deficient Fe,5352 prepared through in-flight separation followed by a gas stopping. This novel scheme is a major step to reach nuclides far from the stability line in laser spectroscopy. Differential mean-square charge radii δ ⟨r2⟩ of Fe,5352 are determined relative to stable 56Fe as δ ⟨r2⟩56 ,52=-0.034 (13 ) fm2 and δ ⟨r2⟩56 ,53=-0.218 (13 ) fm2 , respectively, from the isotope shift of atomic hyperfine structures. The multiconfiguration Dirac-Fock method is used to calculate atomic factors to deduce δ ⟨r2⟩. The values of δ ⟨r2⟩ exhibit a minimum at the N =28 neutron shell closure. The nuclear density functional theory with Fayans and Skyrme energy density functionals is used to interpret the data. The trend of δ ⟨r2⟩ along the Fe isotopic chain results from an interplay between single-particle shell structure, pairing, and polarization effects and provides important data for understanding the intricate trend in the δ ⟨r2⟩ of closed-shell Ca isotopes.

Phthalocyanine Tetraamine Epoxy-Curing Agents

NASA Technical Reports Server (NTRS)

Fohlen, G. M.; Achar, B. N.; Parker, J. A.

1986-01-01

Tough fire- and chemical-resistant epoxies produced by using metalphthalocyanine tetraamines (MPT's) of copper, cobalt, or nickel as curing agents. Synthesis of MPT's commercially realizable and gives pure compounds with almost 90-percent yield. Synthesis applicable for metals with atomic radii of about 1.35 angstroms, including Cu, Co, Ni, Zn, Fe, Pt, Al, and V. Possible to use metal phthalocyanines to cure epoxy resins in homogeneous reaction.

The Construction and Validation of All-Atom Bulk-Phase Models of Amorphous Polymers Using the TIGER2/TIGER3 Empirical Sampling Method

PubMed Central

Li, Xianfeng; Murthy, Sanjeeva; Latour, Robert A.

2011-01-01

A new empirical sampling method termed “temperature intervals with global exchange of replicas and reduced radii” (TIGER3) is presented and demonstrated to efficiently equilibrate entangled long-chain molecular systems such as amorphous polymers. The TIGER3 algorithm is a replica exchange method in which simulations are run in parallel over a range of temperature levels at and above a designated baseline temperature. The replicas sampled at temperature levels above the baseline are run through a series of cycles with each cycle containing four stages – heating, sampling, quenching, and temperature level reassignment. The method allows chain segments to pass through one another at elevated temperature levels during the sampling stage by reducing the van der Waals radii of the atoms, thus eliminating chain entanglement problems. Atomic radii are then returned to their regular values and re-equilibrated at elevated temperature prior to quenching to the baseline temperature. Following quenching, replicas are compared using a Metropolis Monte Carlo exchange process for the construction of an approximate Boltzmann-weighted ensemble of states and then reassigned to the elevated temperature levels for additional sampling. Further system equilibration is performed by periodic implementation of the previously developed TIGER2 algorithm between cycles of TIGER3, which applies thermal cycling without radii reduction. When coupled with a coarse-grained modeling approach, the combined TIGER2/TIGER3 algorithm yields fast equilibration of bulk-phase models of amorphous polymer, even for polymers with complex, highly branched structures. The developed method was tested by modeling the polyethylene melt. The calculated properties of chain conformation and chain segment packing agreed well with published data. The method was also applied to generate equilibrated structural models of three increasingly complex amorphous polymer systems: poly(methyl methacrylate), poly(butyl methacrylate), and DTB-succinate copolymer. Calculated glass transition temperature (Tg) and structural parameter profile (S(q)) for each resulting polymer model were found to be in close agreement with experimental Tg values and structural measurements obtained by x-ray diffraction, thus validating that the developed methods provide realistic models of amorphous polymer structure. PMID:21769156

Local lattice distortion in high-entropy alloys

NASA Astrophysics Data System (ADS)

Song, Hongquan; Tian, Fuyang; Hu, Qing-Miao; Vitos, Levente; Wang, Yandong; Shen, Jiang; Chen, Nanxian

2017-07-01

The severe local lattice distortion, induced mainly by the large atomic size mismatch of the alloy components, is one of the four core effects responsible for the unprecedented mechanical behaviors of high-entropy alloys (HEAs). In this work, we propose a supercell model, in which every lattice site has similar local atomic environment, to describe the random distributions of the atomic species in HEAs. Using these supercells in combination with ab initio calculations, we investigate the local lattice distortion of refractory HEAs with body-centered-cubic structure and 3 d HEAs with face-centered-cubic structure. Our results demonstrate that the local lattice distortion of the refractory HEAs is much more significant than that of the 3 d HEAs. We show that the atomic size mismatch evaluated with the empirical atomic radii is not accurate enough to describe the local lattice distortion. Both the lattice distortion energy and the mixing entropy contribute significantly to the thermodynamic stability of HEAs. However the local lattice distortion has negligible effect on the equilibrium lattice parameter and bulk modulus.

Multiple heteroatom substitution to graphene nanoribbon

PubMed Central

Meyer, Ernst

2018-01-01

Substituting heteroatoms into nanostructured graphene elements, such as graphene nanoribbons, offers the possibility for atomic engineering of electronic properties. To characterize these substitutions, functionalized atomic force microscopy (AFM)—a tool to directly resolve chemical structures—is one of the most promising tools, yet the chemical analysis of heteroatoms has been rarely performed. We synthesized multiple heteroatom-substituted graphene nanoribbons and showed that AFM can directly resolve elemental differences and can be correlated to the van der Waals radii, as well as the modulated local electron density caused by the substitution. This elemental-sensitive measurement takes an important step in the analysis of functionalized two-dimensional carbon materials. PMID:29662955

Characterization of Structural and Configurational Properties of DNA by Atomic Force Microscopy.

PubMed

Meroni, Alice; Lazzaro, Federico; Muzi-Falconi, Marco; Podestà, Alessandro

2018-01-01

We describe a method to extract quantitative information on DNA structural and configurational properties from high-resolution topographic maps recorded by atomic force microscopy (AFM). DNA molecules are deposited on mica surfaces from an aqueous solution, carefully dehydrated, and imaged in air in Tapping Mode. Upon extraction of the spatial coordinates of the DNA backbones from AFM images, several parameters characterizing DNA structure and configuration can be calculated. Here, we explain how to obtain the distribution of contour lengths, end-to-end distances, and gyration radii. This modular protocol can be also used to characterize other statistical parameters from AFM topographies.

Changes in the mean square charge radii and electromagnetic moments of neutron-deficient Bi isotopes

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

Barzakh, A. E., E-mail: barzakh@mail.ru; Batist, L. Kh.; Fedorov, D. V.

In-source laser spectroscopy experiments for neutron deficient bismuth isotopes at the 306.77 nm atomic transition were carried out at the IRIS (Investigation of Radioactive Isotopes on Synchrocyclotron) facility of Petersburg Nuclear Physics Institute (PNPI). New data on isotope shifts and hyperfine structure for {sup 189–198,} {sup 211}Bi isotopes and isomers were obtained. The changes in the mean-square charge radii and the magnetic moment values were deduced. Marked deviation from the nearly spherical behavior for ground states of bismuth isotopes at N < 109 is demonstrated, in contrast to the lead and thallium isotopic chains. The big isomer shift between Imore » = 1/2 (intruder) and I = 9/2 (normal) states for odd Bi isotopes (A = 193, 195, 197) was found.« less

Crystal structure of di-chlorido-{4-[(E)-(meth-oxy-imino-κN)meth-yl]-1,3-thia-zol-2-amine-κN (3)}palladium(II).

PubMed

Dyakonenko, Viktorita V; Zholob, Olga O; Orysyk, Svitlana I; Pekhnyo, Vasily I

2015-01-01

In the title compound, [PdCl2(C5H7N3OS)], the Pd(II) atom adopts a distorted square-planar coordination sphere defined by two N atoms of the bidentate ligand and two Cl atoms. The mean deviation from the coordination plane is 0.029 Å. The methyl group is not coplanar with the plane of the metallacycle [torsion angle C-O-N-C = 20.2 (4)°]. Steric repulsion between the methyl group and atoms of the metallacycle is manifested by shortened intra-molecular H⋯C contacts of 2.27, 2.38 and 2.64 Å, as compared with the sum of the van der Waals radii of 2.87 Å. The amino group participates via one H atom in the formation of an intra-molecular N-H⋯Cl hydrogen bond. In the crystal, the other H atom of the amino group links mol-ecules via bifurcated N-H⋯(Cl,O) hydrogen bonds into chains parallel to [001].

Shielding Analysis of a Small Compact Space Nuclear Reactor

DTIC Science & Technology

1987-08-01

RESPONSE) =4, MAXWELLIAN FISSION SPECTRUM (ILNTEGRAL RESPONSE) =5, LOS ALAMOS FISSION SPECTRUM, 1982 (INTEGRAL RESPONSE) =6, VITAMIN C NEUTRON SPECTRUM...Appendices Appendix A: Calculations of Effective Radii.. A-1 Appendix B: Atom Density Calculations for FEMPlD and FEMP2D ................ B-I Appendix C ...FEMPID and FEM22D Data........... C -i Appendix D: Energy Group Definition .......... D-I Appendix E: Transport Equation, Legendr4 Polynomial

Charge radii of neutron deficient Fe 52 , 53 produced by projectile fragmentation

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

Minamisono, K.; Rossi, D. M.; Beerwerth, R.

Bunched-beam collinear laser spectroscopy is performed on neutron deficient 52,53Fe prepared through in-flight separation followed by a gas stopping. This novel scheme is a major step to reach nuclides far from the stability line in laser spectroscopy. Differential mean-square charge radii δmore » $$\\langle$$r 2$$\\rangle$$ of 52,53Fe are determined relative to stable 56Fe as δ$$\\langle$$r2$$\\rangle$$ 56,52=$-$0.034(13) fm 2 and δ$$\\langle$$r 2$$\\rangle$$56,53=$-$0.218(13) fm 2, respectively, from the isotope shift of atomic hyperfine structures. The multiconfiguration Dirac-Fock method is used to calculate atomic factors to deduce δ$$\\langle$$r 2$$\\rangle$$. The values of δ$$\\langle$$r 2$$\\rangle$$ exhibit a minimum at the N=28 neutron shell closure. The nuclear density functional theory with Fayans and Skyrme energy density functionals is used to interpret the data. As a result, the trend of δ$$\\langle$$r 2$$\\rangle$$ along the Fe isotopic chain results from an interplay between single-particle shell structure, pairing, and polarization effects and provides important data for understanding the intricate trend in the δ$$\\langle$$r 2$$\\rangle$$ of closed-shell Ca isotopes« less

Charge radii of neutron deficient Fe 52 , 53 produced by projectile fragmentation

DOE PAGES

Minamisono, K.; Rossi, D. M.; Beerwerth, R.; ...

2016-12-15

Bunched-beam collinear laser spectroscopy is performed on neutron deficient 52,53Fe prepared through in-flight separation followed by a gas stopping. This novel scheme is a major step to reach nuclides far from the stability line in laser spectroscopy. Differential mean-square charge radii δmore » $$\\langle$$r 2$$\\rangle$$ of 52,53Fe are determined relative to stable 56Fe as δ$$\\langle$$r2$$\\rangle$$ 56,52=$-$0.034(13) fm 2 and δ$$\\langle$$r 2$$\\rangle$$56,53=$-$0.218(13) fm 2, respectively, from the isotope shift of atomic hyperfine structures. The multiconfiguration Dirac-Fock method is used to calculate atomic factors to deduce δ$$\\langle$$r 2$$\\rangle$$. The values of δ$$\\langle$$r 2$$\\rangle$$ exhibit a minimum at the N=28 neutron shell closure. The nuclear density functional theory with Fayans and Skyrme energy density functionals is used to interpret the data. As a result, the trend of δ$$\\langle$$r 2$$\\rangle$$ along the Fe isotopic chain results from an interplay between single-particle shell structure, pairing, and polarization effects and provides important data for understanding the intricate trend in the δ$$\\langle$$r 2$$\\rangle$$ of closed-shell Ca isotopes« less

Experimental observation of charge-shift bond in fluorite CaF2.

PubMed

Stachowicz, Marcin; Malinska, Maura; Parafiniuk, Jan; Woźniak, Krzysztof

2017-08-01

On the basis of a multipole refinement of single-crystal X-ray diffraction data collected using an Ag source at 90 K to a resolution of 1.63 Å -1 , a quantitative experimental charge density distribution has been obtained for fluorite (CaF 2 ). The atoms-in-molecules integrated experimental charges for Ca 2+ and F - ions are +1.40 e and -0.70 e, respectively. The derived electron-density distribution, maximum electron-density paths, interaction lines and bond critical points along Ca 2+ ...F - and F - ...F - contacts revealed the character of these interactions. The Ca 2+ ...F - interaction is clearly a closed shell and ionic in character. However, the F - ...F - interaction has properties associated with the recently recognized type of interaction referred to as `charge-shift' bonding. This conclusion is supported by the topology of the electron localization function and analysis of the quantum theory of atoms in molecules and crystals topological parameters. The Ca 2+ ...F - bonded radii - measured as distances from the centre of the ion to the critical point - are 1.21 Å for the Ca 2+ cation and 1.15 Å for the F - anion. These values are in a good agreement with the corresponding Shannon ionic radii. The F - ...F - bond path and bond critical point is also found in the CaF 2 crystal structure. According to the quantum theory of atoms in molecules and crystals, this interaction is attractive in character. This is additionally supported by the topology of non-covalent interactions based on the reduced density gradient.

2S-4S spectroscopy in hydrogen atom: The new value for the Rydberg constant and the proton charge radius

NASA Astrophysics Data System (ADS)

Kolachevsky, N.; Beyer, A.; Maisenbacher, L.; Matveev, A.; Pohl, R.; Khabarova, K.; Grinin, A.; Lamour, T.; Yost, D. C.; Haensch, T. W.; Udem, Th.

2018-02-01

The core of the "proton radius puzzle" is the discrepancy of four standard deviations between the proton root mean square charge radii (rp) determined from regular hydrogen (H), and the muonic hydrogen atom (μp). We have measured the 2S-4P transition frequency in H, utilizing a cryogenic beam of H and directly demonstrate that quantum interference of neighboring atomic resonances can lead to line shifts much larger than the proton radius discrepancy. Using an asymmetric fit function we obtain rp = 0.8335(95) fm and the Rydberg constant R∞ = 10 973 731.568 076 (96) m-1. The new value for rp is 3.3 combined standard deviations smaller than the latest CODATA value, but in good agreement with the value from μp.

Specific features of nonvalent interactions in orthorhombic perovskites

NASA Astrophysics Data System (ADS)

Serezhkin, V. N.; Pushkin, D. V.; Serezhkina, L. B.

2014-07-01

It is established that isostructural orthorhombic perovskites ABO3 (sp. gr. Pnma in different systems, no. 62, Z = 4), depending on the specificity of nonvalent interactions (which determine the combinatorial-topological type of the Voronoi-Dirichlet polyhedra (VDPs) of four basis atoms), are divided into ten different stereotypes. It is shown by the example of 259 perovskites belonging to the DyCrO3 stereotype that VDP characteristics can be used to quantitatively estimate the distortion of BO6 octahedra, including that caused by the Jahn-Teller effect. It is found that one of the causes of the distortion of the coordination polyhedra of atoms in the structure of orthorhombic perovskites is heteroatomic metal-metal interactions, for which the interatomic distances are much shorter than the sum of the Slater radii of A and B atoms.

Dynamic light scattering for the characterization and counting of extracellular vesicles: a powerful noninvasive tool

NASA Astrophysics Data System (ADS)

Palmieri, Valentina; Lucchetti, Donatella; Gatto, Ilaria; Maiorana, Alessandro; Marcantoni, Margherita; Maulucci, Giuseppe; Papi, Massimiliano; Pola, Roberto; De Spirito, Marco; Sgambato, Alessandro

2014-09-01

Extracellular vesicles (EVs) are cell-to-cell shuttles that have recently drawn interest both as drug delivery platforms and disease biomarkers. Despite the increasingly recognized relevance of these vesicles, their detection, and characterization still have several technical drawbacks. In this paper, we accurately assess the size distribution and concentration of EVs by using a high-throughput non-perturbative technique such as Dynamic Light Scattering (DLS). The vesicle radii distribution, as further confirmed by Atomic Force Microscopy experiments, ranges from 10 to 80 nm and appears very asymmetric towards larger radii with a main peak at roughly 30 nm. By combining DLS and Bradford assay, we also demonstrate the feasibility of recovering the concentration and its distribution of proteins contained inside vesicles. The sensitivity of our approach allows to detect protein concentrations as low as 0.01 mg/ml.

Probing Sizes and Shapes of Nobelium Isotopes by Laser Spectroscopy

NASA Astrophysics Data System (ADS)

Raeder, S.; Ackermann, D.; Backe, H.; Beerwerth, R.; Berengut, J. C.; Block, M.; Borschevsky, A.; Cheal, B.; Chhetri, P.; Düllmann, Ch. E.; Dzuba, V. A.; Eliav, E.; Even, J.; Ferrer, R.; Flambaum, V. V.; Fritzsche, S.; Giacoppo, F.; Götz, S.; Heßberger, F. P.; Huyse, M.; Kaldor, U.; Kaleja, O.; Khuyagbaatar, J.; Kunz, P.; Laatiaoui, M.; Lautenschläger, F.; Lauth, W.; Mistry, A. K.; Minaya Ramirez, E.; Nazarewicz, W.; Porsev, S. G.; Safronova, M. S.; Safronova, U. I.; Schuetrumpf, B.; Van Duppen, P.; Walther, T.; Wraith, C.; Yakushev, A.

2018-06-01

Until recently, ground-state nuclear moments of the heaviest nuclei could only be inferred from nuclear spectroscopy, where model assumptions are required. Laser spectroscopy in combination with modern atomic structure calculations is now able to probe these moments directly, in a comprehensive and nuclear-model-independent way. Here we report on unique access to the differential mean-square charge radii of No 252 ,253 ,254 , and therefore to changes in nuclear size and shape. State-of-the-art nuclear density functional calculations describe well the changes in nuclear charge radii in the region of the heavy actinides, indicating an appreciable central depression in the deformed proton density distribution in No,254252 isotopes. Finally, the hyperfine splitting of No 253 was evaluated, enabling a complementary measure of its (quadrupole) deformation, as well as an insight into the neutron single-particle wave function via the nuclear spin and magnetic moment.

Measurement of the Casimir Force between Two Spheres

NASA Astrophysics Data System (ADS)

Garrett, Joseph L.; Somers, David A. T.; Munday, Jeremy N.

2018-01-01

Complex interaction geometries offer a unique opportunity to modify the strength and sign of the Casimir force. However, measurements have traditionally been limited to sphere-plate or plate-plate configurations. Prior attempts to extend measurements to different geometries relied on either nanofabrication techniques that are limited to only a few materials or slight modifications of the sphere-plate geometry due to alignment difficulties of more intricate configurations. Here, we overcome this obstacle to present measurements of the Casimir force between two gold spheres using an atomic force microscope. Force measurements are alternated with topographical scans in the x -y plane to maintain alignment of the two spheres to within approximately 400 nm (˜1 % of the sphere radii). Our experimental results are consistent with Lifshitz's theory using the proximity force approximation (PFA), and corrections to the PFA are bounded using nine sphere-sphere and three sphere-plate measurements with spheres of varying radii.

On the nature of S II emission from Jupiter's hot plasma torus

NASA Technical Reports Server (NTRS)

Brown, R. A.; Shemansky, D. E.

1982-01-01

An effective electron temperature T(e) of 80,000 K is indicated by the Voyager 1 encounter Jupiter hot torus emission rates in the 6731, 1256, 911 and reclassified 765 A transitions of S II. A set of 53 measurements of the S II red line doublet obtained at 5.9 Jupiter radii shows strong, irregular fluctuations in intensity, but no variation in the line ratio. At this distance from Jupiter, the torus is found to be longitudinally uniform in density; this is consonant with Voyager UVS findings, but contrary to magnetic anomaly model predictions. It is suggested that presently unidentified ion-ion and/or iron-atom reactions are responsible for the S II component irregular variations, in view of the fact that electron properties are regular and variable only over a small range in the hot torus at 5.9 Jupiter radii.

Super-elite plasma rings and the orbits of planets and satellites isomorphic to the orbits of electrons in the Bohr's model of the hydrogen atom

NASA Astrophysics Data System (ADS)

Rabinovich, B. I.

2007-10-01

This paper continues the series of papers [1 5] and generalizes the previous results to a proto-ring of magnetized plasma whose density decreases in the radial direction. The problem of quantization of the sector and orbital velocities, and of the radii and periods of revolution of elite plasma rings is considered. A new concept of super-elite rings is introduced. Their isomorphism with the orbits of the planets and planetary satellites in the Solar System is proved. This isomorphism also extends to the orbits of electrons in the Bohr’s model of the hydrogen atom.

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

Göring, Gerald; Dietrich, Philipp-Immanuel; Blaicher, Matthias

3D direct laser writing based on two-photon polymerization is considered as a tool to fabricate tailored probes for atomic force microscopy. Tips with radii of 25 nm and arbitrary shape are attached to conventionally shaped micro-machined cantilevers. Long-term scanning measurements reveal low wear rates and demonstrate the reliability of such tips. Furthermore, we show that the resonance spectrum of the probe can be tuned for multi-frequency applications by adding rebar structures to the cantilever.

Listening to Shells: Galaxy Masses from Disrupted Satellites

NASA Astrophysics Data System (ADS)

Westfall, Kyle; Sanderson, R.

2014-01-01

Our ability to measure the dynamical mass of an individual galaxy is limited by the radial extent of the luminous tracers of its potential. For elliptical galaxies, it is difficult to go much beyond two effective radii using integrated light. Appealing to particle tracers like globular clusters has allowed for mass measurements out to ten effective radii. The extended atomic-gas disks of spiral galaxies allow one to measure rotation curves well beyond the optical disk to a few effective radii; however, such mass measurements are limited to a single plane and can often be confused by warps. As surface-brightness limits have pushed ever deeper, the revealed abundance of disrupted satellites in galaxy halos may present a unique opportunity for determining the enclosed mass at very large radii (more than five effective radii), provided our technology is up to the challenge. Here, we discuss the prospect of using integrated light spectroscopy of tidal shells to measure the masses of individual galaxies at redshifts of up to 0.1. Our study considers the limitations of current and projected instrumentation on 4-, 10-, and 30-meter class telescopes. The observational constraints are indeed very stringent, requiring both high sensitivity (with V-band surface brightness limits below 25 mag per square arsecond) and high spectral resolution (R>10k), whereas spatial resolution is effectively irrelevant. Bigger is not necessarily better for our application because of the limited field-of-view (FOV) of large telescopes, which dramatically limits their total grasp. We find the two most-promising setups are (1) a large FOV (1 square arcminute) integral-field unit (IFU) on a 4-meter class telescope and (2) a multiplexed suite of small FOV (10 square arcseconds) IFUs on a 10- or 30-meter class telescope. Two prospective instruments that may meet these requirements are WEAVE, an instrument currently planned for the William Herschel Telescope at La Palma, and an OPTIMOS-EVE-like instrument on the E-ELT.

Searching for axion stars and Q-balls with a terrestrial magnetometer network

DOE PAGES

Jackson Kimball, D. F.; Budker, D.; Eby, J.; ...

2018-02-08

Light (pseudo-)scalar fields are promising candidates to be the dark matter in the Universe. Under certain initial conditions in the early Universe and/or with certain types of self-interactions, they can form compact dark-matter objects such as axion stars or Q-balls. Direct encounters with such objects can be searched for by using a global network of atomic magnetometers. It is shown that for a range of masses and radii not ruled out by existing observations, the terrestrial encounter rate with axion stars or Q-balls can be sufficiently high (at least once per year) for a detection. Furthermore, it is shown thatmore » a global network of atomic magnetometers is sufficiently sensitive to pseudoscalar couplings to atomic spins so that a transit through an axion star or Q-ball could be detected over a broad range of unexplored parameter space.« less

Small angle neutron and X-ray studies of carbon structures with metal atoms

NASA Astrophysics Data System (ADS)

Lebedev, V. T.; Szhogina, A. A.; Bairamukov, V. Yu

2017-05-01

Encapsulation of metal atoms inside carbon single-wall cages or within multi-layer cells has been realized using molecular precursors and high temperature processes transforming them into desirable structures. Endohedral fullerenols Fe@C60(OH)X with 3d-metal (iron) have been studied by SANS in aqueous solutions where they form stable globular clusters with radii R C ∼ 10-12 nm and aggregation numbers N C ∼ 104. This self-assembly is a crucial feature of paramagnetic fullerenols as perspective contrast agents for Magneto-Resonance Imaging in medicine. Cellular carbon-metal structures have been created by the pyrolysis of diphthalocyanines of lanthanides and actinides. It was established that these ultra porous matrices consist of globular cells of molecular precursor size (∼ 1 nm) which are aggregated into superstructures. This provides retain of metal atoms inside matrices which may serve for safety storage of spent fuel of nuclear power plants.

Searching for axion stars and Q -balls with a terrestrial magnetometer network

NASA Astrophysics Data System (ADS)

Jackson Kimball, D. F.; Budker, D.; Eby, J.; Pospelov, M.; Pustelny, S.; Scholtes, T.; Stadnik, Y. V.; Weis, A.; Wickenbrock, A.

2018-02-01

Light (pseudo-)scalar fields are promising candidates to be the dark matter in the Universe. Under certain initial conditions in the early Universe and/or with certain types of self-interactions, they can form compact dark-matter objects such as axion stars or Q -balls. Direct encounters with such objects can be searched for by using a global network of atomic magnetometers. It is shown that for a range of masses and radii not ruled out by existing observations, the terrestrial encounter rate with axion stars or Q -balls can be sufficiently high (at least once per year) for a detection. Furthermore, it is shown that a global network of atomic magnetometers is sufficiently sensitive to pseudoscalar couplings to atomic spins so that a transit through an axion star or Q -ball could be detected over a broad range of unexplored parameter space.

2-(4,5-Dihydro-1H-imidazol-2-yl)­pyridine

PubMed Central

Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi

2009-01-01

In the mol­ecule of the title compound, C8H9N3, a new imidazoline derivative, the six- and five-membered rings are slightly twisted away from each other, forming a dihedral angle of 7.96 (15)°. In the crystal structure, neighbouring mol­ecules are linked together by inter­molecular N—H⋯N hydrogen bonds into extended one-dimensional chains along the a axis. The pyridine N atom is in close proximity to a carbon-bound H atom of the imidazoline ring, with an H⋯N distance of 2.70 Å, which is slightly shorter than the sum of the van der Waals radii of these atoms (2.75 Å). The crystal structure is further stabilized by inter­molecular C—H⋯π and π–π inter­actions (centroid-to-centroid distance 3.853 Å). PMID:21582505

Searching for axion stars and Q-balls with a terrestrial magnetometer network

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

Jackson Kimball, D. F.; Budker, D.; Eby, J.

Light (pseudo-)scalar fields are promising candidates to be the dark matter in the Universe. Under certain initial conditions in the early Universe and/or with certain types of self-interactions, they can form compact dark-matter objects such as axion stars or Q-balls. Direct encounters with such objects can be searched for by using a global network of atomic magnetometers. It is shown that for a range of masses and radii not ruled out by existing observations, the terrestrial encounter rate with axion stars or Q-balls can be sufficiently high (at least once per year) for a detection. Furthermore, it is shown thatmore » a global network of atomic magnetometers is sufficiently sensitive to pseudoscalar couplings to atomic spins so that a transit through an axion star or Q-ball could be detected over a broad range of unexplored parameter space.« less

Processing Research on Chemically Vapor Deposited Silicon Nitride

DTIC Science & Technology

1981-12-01

forming silicon carbide to reduce free silicon content. (b) Boron and aluminum were selected as two single-valence elements with small atomic radii which...obtained in cold wall (CW-3) runs were sliced into small flexure bars (19.1x3.2xt(mm) where t = thickness) if they appeared to be of suitable quality...discussed later. Addition of borcn trichloride in small amounts (Run 8) caused Formation of a light blue translucent deposit which contained at least one

Quantum nuclear effects in water using centroid molecular dynamics

NASA Astrophysics Data System (ADS)

Kondratyuk, N. D.; Norman, G. E.; Stegailov, V. V.

2018-01-01

The quantum nuclear effects are studied in water using the method of centroid molecular dynamics (CMD). The aim is the calibration of CMD implementation in LAMMPS. The calculated intramolecular energy, atoms gyration radii and radial distribution functions are shown in comparison with previous works. The work is assumed to be the step toward to solution of the discrepancy between the simulation results and the experimental data of liquid n-alkane properties in our previous works.

Fundamental quantum noise mapping with tunnelling microscopes tested at surface structures of subatomic lateral size.

PubMed

Herz, Markus; Bouvron, Samuel; Ćavar, Elizabeta; Fonin, Mikhail; Belzig, Wolfgang; Scheer, Elke

2013-10-21

We present a measurement scheme that enables quantitative detection of the shot noise in a scanning tunnelling microscope while scanning the sample. As test objects we study defect structures produced on an iridium single crystal at low temperatures. The defect structures appear in the constant current images as protrusions with curvature radii well below the atomic diameter. The measured power spectral density of the noise is very near to the quantum limit with Fano factor F = 1. While the constant current images show detailed structures expected for tunnelling involving d-atomic orbitals of Ir, we find the current noise to be without pronounced spatial variation as expected for shot noise arising from statistically independent events.

Binary rare earth element-Ni/Co metallic glasses with distinct β-relaxation behaviors

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

Zhu, Z. G.; Wang, Z.; Wang, W. H., E-mail: whw@iphy.ac.cn

2015-10-21

We report the formation of a series of rare earth element (RE)-Ni/Co binary metallic glasses (MGs) with unusual distinct β-relaxation peak compared with that of most of the reported MGs which usually exhibit as an excess wing or a shoulder. The β-relaxation behavior of RE-Ni/Co MGs is sensitive to the composition and the atomic radii of the RE and can be tuned through changing the fraction of RE-Ni (or Co) atomic pairs. The novel RE-Ni/Co MGs with distinct β-relaxation can serve as model system to investigate the nature of the β-relaxation as well as its relations with other physical andmore » mechanical properties of MGs.« less

Measurements of Reaction Cross Sections for 9-11C

NASA Astrophysics Data System (ADS)

Nishizuka, Kenji; Takechi, Maya; Ohtsubo, Takashi; Nishimura, Daiki; Fukuda, Mitsunori; Aoki, Kazuya; Abe, Keijiro; Ikeda, Ayaka; Izumikawa, Takuji; Oikawa, Hiroyuki; Ohnishi, Kosuke; Ohno, Junichi; Ohmika, Shunichiro; Kato, Ikuma; Kanke, Yuki; Kanbe, Shunsuke; Kanda, Naoto; Kikuchi, Haruka; Kitagawa, Atsushi; Sato, Shinji; Sayama, Umito; Shimaya, Jiro; Sugihara, Takanobu; Suzuki, Shinji; Suzuki, Takeshi; Takahashi, Hiroki; Taguchi, Yoshisada; Takei, Yuki; Takeuchi, Yuki; Takenouchi, Arashi; Takemoto, Takanori; Tadano, Natsuki; Tanaka, Masaomi; Tanaka, Yutaro; Chikaato, Kazuya; Du, Hang; Nagai, Takumi; Nagumo, Junya; Fukuda, Shigekazu; Hori, Kensyu; Honma, Akira; Machida, Masahiro; Matsunaga, Satoshi; Mizukami, Atsushi; Mihara, Mototsugu; Miyata, Eri; Murooka, Daiki; Yagi, Shoichi; Yamaoka, Shintaro; Yamaguchi, Takayuki; Yokoyama, Kouhei

In order to probe the differences of matter and charge radii of atomic nucleus in the proton-rich C isotopes, measurements of reaction cross sections (σR) for 9-11C on proton targets in the energy range from 50 to 120A MeV were performed at HIMAC facility, NIRS. Owing to the large differences between proton-proton and proton-neutron scattering cross sections at this intermediate energy region, σR data for atomic nuclei on proton targets are expected to have the sensitivity to the differences between proton and neutron distributions in the nucleus. Present preliminary data are compared with the Glauber calculation, which suggest the larger enhancements of proton distributions in 9C and 10C compared to 11C.

Hydrothermal Crystal Growth of Lithium Tetraborate and Lithium Gamma-Metaborate

DTIC Science & Technology

2014-03-27

could be atomic nuclei, the center of mass of some complex—those details are immaterial. Both the rectangle and lozenge form potential cross-sections...HR y d L Figure 10. The red lines are the various contours of solution of 9, using a = 10 Bohr radii and the mass of coefficients on the LHS forced to...absorptivity is significantly below that of the transition metals or the actinides [9]. The lithium borate crystals are therefore a strong candidate for

Evidence for prevalent Z = 6 magic number in neutron-rich carbon isotopes.

PubMed

Tran, D T; Ong, H J; Hagen, G; Morris, T D; Aoi, N; Suzuki, T; Kanada-En'yo, Y; Geng, L S; Terashima, S; Tanihata, I; Nguyen, T T; Ayyad, Y; Chan, P Y; Fukuda, M; Geissel, H; Harakeh, M N; Hashimoto, T; Hoang, T H; Ideguchi, E; Inoue, A; Jansen, G R; Kanungo, R; Kawabata, T; Khiem, L H; Lin, W P; Matsuta, K; Mihara, M; Momota, S; Nagae, D; Nguyen, N D; Nishimura, D; Otsuka, T; Ozawa, A; Ren, P P; Sakaguchi, H; Scheidenberger, C; Tanaka, J; Takechi, M; Wada, R; Yamamoto, T

2018-04-23

The nuclear shell structure, which originates in the nearly independent motion of nucleons in an average potential, provides an important guide for our understanding of nuclear structure and the underlying nuclear forces. Its most remarkable fingerprint is the existence of the so-called magic numbers of protons and neutrons associated with extra stability. Although the introduction of a phenomenological spin-orbit (SO) coupling force in 1949 helped in explaining the magic numbers, its origins are still open questions. Here, we present experimental evidence for the smallest SO-originated magic number (subshell closure) at the proton number six in 13-20 C obtained from systematic analysis of point-proton distribution radii, electromagnetic transition rates and atomic masses of light nuclei. Performing ab initio calculations on 14,15 C, we show that the observed proton distribution radii and subshell closure can be explained by the state-of-the-art nuclear theory with chiral nucleon-nucleon and three-nucleon forces, which are rooted in the quantum chromodynamics.

Particle size dependence of alkali and alkaline earth metal enrichment in marine aerosols from Bermuda

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

Hoffman, E.J.; Hoffman, G.L.; Duce, R.A.

1980-10-20

Three cascade impactor samples were collected from a 20-m-high tower on the southeastern coast of Bermuda. These samples were analyzed for Na, K, Ca, Mg, and Fe by atomic absorption spectrophotometry. When the alkali-alkakine earth metal concentrations are corrected for a soil-derived component, utilizing the atmospheric Fe concentrations, Mg, Ca, and Na are found to be present in the same relative abundances as in seawater for all particle sizes sampled. Potassium also shows no deviation from a bulk seawater composition for particles with radii greater than approx.0.5 ..mu..m. However, excess K above that expected from either a bulk seawater ormore » soil source is observed on particles with radii less than approx.0.5 ..mu..m. While oceanic chemical fractionation processes during bubble bursting may be responsible for this excess small particle K, it is most likely due to long-range transport of K-rich particles of terrestrial vegetative origin.« less

The characterisation of atomic structure and glass-forming ability of the Zr-Cu-Co metallic glasses studied by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Celtek, M.; Sengul, S.

2018-03-01

In the present work, the glass formation process and structural properties of Zr50Cu50-xCox (0 ≤ x ≤ 50) bulk metallic glasses were investigated by a molecular dynamics simulation with the many body tight-binding potentials. The evolution of structure and glass formation process with temperature were discussed using the coordination number, the radial distribution functions, the volume-temperature curve, icosahedral short-range order, glass transition temperature, Voronoi analysis, Honeycutt-Andersen pair analysis technique and the distribution of bond-angles. Results indicate that adding Co causes similar responses on the nature of the Zr50Cu50-xCox (0 ≤ x ≤ 50) alloys except for higher glass transition temperature and ideal icosahedral type ordered local atomic environment. Also, the differences of the atomic radii play the key role in influencing the atomic structure of these alloys. Both Cu and Co atoms play a significant role in deciding the chemical and topological short-range orders of the Zr50Cu50-xCox ternary liquids and amorphous alloys. The glass-forming ability of these alloys is supported by the experimental observations reported in the literature up to now.

An atomic-force-microscopy study of the structure of surface layers of intact fibroblasts

NASA Astrophysics Data System (ADS)

Khalisov, M. M.; Ankudinov, A. V.; Penniyaynen, V. A.; Nyapshaev, I. A.; Kipenko, A. V.; Timoshchuk, K. I.; Podzorova, S. A.; Krylov, B. V.

2017-02-01

Intact embryonic fibroblasts on a collagen-treated substrate have been studied by atomic-force microscopy (AFM) using probes of two types: (i) standard probes with tip curvature radii of 2-10 nm and (ii) special probes with a calibrated 325-nm SiO2 ball radius at the tip apex. It is established that, irrespective of probe type, the average maximum fibroblast height is on a level of 1.7 μm and the average stiffness of the probe-cell contact amounts to 16.5 mN/m. The obtained AFM data reveal a peculiarity of the fibroblast structure, whereby its external layers move as a rigid shell relative to the interior and can be pressed inside to a depth dependent on the load only.

Effective particle size from molecular dynamics simulations in fluids

NASA Astrophysics Data System (ADS)

Ju, Jianwei; Welch, Paul M.; Rasmussen, Kim Ø.; Redondo, Antonio; Vorobieff, Peter; Kober, Edward M.

2018-04-01

We report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. This procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks-Chandler-Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ˜ 0.75σ , where σ defines the length scale of the force interaction (the LJ diameter). The effective "hydrodynamic" radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ , but agree with a value developed from the atomistic analysis of the viscosity of such systems.

Effective particle size from molecular dynamics simulations in fluids

NASA Astrophysics Data System (ADS)

Ju, Jianwei; Welch, Paul M.; Rasmussen, Kim Ø.; Redondo, Antonio; Vorobieff, Peter; Kober, Edward M.

2017-12-01

We report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. This procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks-Chandler-Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ˜ 0.75σ , where σ defines the length scale of the force interaction (the LJ diameter). The effective "hydrodynamic" radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ , but agree with a value developed from the atomistic analysis of the viscosity of such systems.

Inductive electronegativity scale. Iterative calculation of inductive partial charges.

PubMed

Cherkasov, Artem

2003-01-01

A number of novel QSAR descriptors have been introduced on the basis of the previously elaborated models for steric and inductive effects. The developed "inductive" parameters include absolute and effective electronegativity, atomic partial charges, and local and global chemical hardness and softness. Being based on traditional inductive and steric substituent constants these 3D descriptors provide a valuable insight into intramolecular steric and electronic interactions and can find broad application in structure-activity studies. Possible interpretation of physical meaning of the inductive descriptors has been suggested by considering a neutral molecule as an electrical capacitor formed by charged atomic spheres. This approximation relates inductive chemical softness and hardness of bound atom(s) with the total area of the facings of electrical capacitor formed by the atom(s) and the rest of the molecule. The derived full electronegativity equalization scheme allows iterative calculation of inductive partial charges on the basis of atomic electronegativities, covalent radii, and intramolecular distances. A range of inductive descriptors has been computed for a variety of organic compounds. The calculated inductive charges in the studied molecules have been validated by experimental C-1s Electron Core Binding Energies and molecular dipole moments. Several semiempirical chemical rules, such as equalized electronegativity's arithmetic mean, principle of maximum hardness, and principle of hardness borrowing could be explicitly illustrated in the framework of the developed approach.

Neutron and weak-charge distributions of the 48Ca nucleus

DOE PAGES

Hagen, Gaute; Forssen, Christian; Nazarewicz, Witold; ...

2015-11-02

What is the size of the atomic nucleus? This deceivably simple question is difficult to answer. Although the electric charge distributions in atomic nuclei were measured accurately already half a century ago, our knowledge of the distribution of neutrons is still deficient. In addition to constraining the size of atomic nuclei, the neutron distribution also impacts the number of nuclei that can exist and the size of neutron stars. We present an ab initio calculation of the neutron distribution of the neutron-rich nucleus 48Ca. We show that the neutron skin (difference between the radii of the neutron and proton distributions)more » is significantly smaller than previously thought. We also make predictions for the electric dipole polarizability and the weak form factor; both quantities that are at present targeted by precision measurements. Here, based on ab initio results for 48Ca, we provide a constraint on the size of a neutron star.« less

Covalence of atoms in the heavier transition metals*

PubMed Central

Pauling, Linus

1977-01-01

The observed magnetic properties of the heavier transition metals permit them to have larger metallic valences than their iron-group congeners. With 0.72 metallic orbital, as found for the iron-group metals, the maximum metallic valence and minimum interatomic distance would occur for 8.28 transargononic electrons. The curves of observed interatomic distances for the close-packed metals of the second and third long periods have minima at this point, supporting the assignment of high valences to these metals. Values of the single-bond radii corresponding to these valences are calculated. PMID:16592407

Conditional phase-shift enhancement through dynamical Rydberg blockade

NASA Astrophysics Data System (ADS)

Wu, Jin-Hui; Artoni, M.; Cataliotti, F.; La Rocca, G. C.

2017-12-01

Large cross-phase shifts per photon can be attained through an all-optical polarization control of dipole blockade in Rydberg atoms. A pair of weak circularly polarized signal and control light pulses experience a giant nonlinear cross-interaction through the conditional excitation of a Rydberg state. Conditional cross-phase modulations on the order of π-radians may be attained under specific symmetric EIT quasi-resonant driving conditions at large degrees of transparency. We also suggest the possibility of extending our scheme to work at very low intensities and within a few-blockade-radii regions.

Sculpting Nanoscale Functional Channels in Complex Oxides Using Energetic Ions and Electrons

DOE PAGES

Sachan, Ritesh; Zarkadoula, Eva; Ou, Xin; ...

2018-04-26

The formation of metastable phases has attracted significant attention because of their unique properties and potential functionalities. In the present study, we demonstrate the phase conversion of energetic-ion-induced amorphous nanochannels/tracks into a metastable defect fluorite in A 2B 2O 7 structured complex oxides by electron irradiation. Through in situ electron irradiation experiments in a scanning transmission electron microscope, we observe electron-induced epitaxial crystallization of the amorphous nanochannels in Yb 2Ti 2O 7 into the defect fluorite. This energetic-electron-induced phase transformation is attributed to the coupled effect of ionization-induced electronic excitations and local heating, along with subthreshold elastic energy transfers. Wemore » also show the role of ionic radii of A-site cations (A = Yb, Gd, and Sm) and B-site cations (Ti and Zr) in facilitating the electron-beam-induced crystallization of the amorphous phase to the defect-fluorite structure. The formation of the defect-fluorite structure is eased by the decrease in the difference between ionic radii of A- and B-site cations in the lattice. Molecular dynamics simulations of thermal annealing of the amorphous phase nanochannels in A 2B 2O 7 draw parallels to the electron-irradiation-induced crystallization and confirm the role of ionic radii in lowering the barrier for crystallization. Furthermore, these results suggest that employing guided electron irradiation with atomic precision is a useful technique for selected area phase formation in nanoscale printed devices.« less

Sculpting Nanoscale Functional Channels in Complex Oxides Using Energetic Ions and Electrons

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

Sachan, Ritesh; Zarkadoula, Eva; Ou, Xin

The formation of metastable phases has attracted significant attention because of their unique properties and potential functionalities. In the present study, we demonstrate the phase conversion of energetic-ion-induced amorphous nanochannels/tracks into a metastable defect fluorite in A 2B 2O 7 structured complex oxides by electron irradiation. Through in situ electron irradiation experiments in a scanning transmission electron microscope, we observe electron-induced epitaxial crystallization of the amorphous nanochannels in Yb 2Ti 2O 7 into the defect fluorite. This energetic-electron-induced phase transformation is attributed to the coupled effect of ionization-induced electronic excitations and local heating, along with subthreshold elastic energy transfers. Wemore » also show the role of ionic radii of A-site cations (A = Yb, Gd, and Sm) and B-site cations (Ti and Zr) in facilitating the electron-beam-induced crystallization of the amorphous phase to the defect-fluorite structure. The formation of the defect-fluorite structure is eased by the decrease in the difference between ionic radii of A- and B-site cations in the lattice. Molecular dynamics simulations of thermal annealing of the amorphous phase nanochannels in A 2B 2O 7 draw parallels to the electron-irradiation-induced crystallization and confirm the role of ionic radii in lowering the barrier for crystallization. Furthermore, these results suggest that employing guided electron irradiation with atomic precision is a useful technique for selected area phase formation in nanoscale printed devices.« less

Polarization effects in silver delafossite systems

NASA Astrophysics Data System (ADS)

Panapitiya, Gihan; Lewis, James P.

Delafossites are a promising class of materials which has applications in catalysis and optoelectronic devices. Even though much work has been carried out on the cuprate family of delafossites, little is known about the structural and electronic properties of it's silver counterpart. In this work, we present a computational study for two delafossite oxides of the form AgB1 - x FexO2 (For B = Al,Ga). A large number of structures are studied by varying the Fe alloying percentage(x) from 0 to 5 and by choosing the impurity sites randomly. We find that the local structural changes occurring at the vicinity of Fe atoms in these two systems have opposite trends with regard to the O-O distance. The reason for this difference in the trends is identified as the polarization effects on the inter-atomic distances caused by the displacements in O atoms resulting from the incorporation of Fe in sites, previously occupied by either Al or Ga. We believe that these effects are mediated by the differences in the atomic radii of Fe, Al and Ga. Higher alloying levels coupled with nearest neighbor Fe atoms can intensify these distortions in the structure creating deformations in the O-Ag-O bonds, which are directly related to the formation of the conduction band edge in these systems.

Contact area of rough spheres: Large scale simulations and simple scaling laws

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

Pastewka, Lars, E-mail: lars.pastewka@kit.edu; Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218; Robbins, Mark O., E-mail: mr@pha.jhu.edu

2016-05-30

We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free analytical expressions for contact area over the wholemore » range of loads. Our results establish a range of validity for common approximations that neglect curvature or roughness in modeling objects on scales from atomic force microscope tips to ball bearings.« less

A nebula of gases from Io surrounding Jupiter.

PubMed

Krimigis, Stamatios M; Mitchell, Donald G; Hamilton, Douglas C; Dandouras, Jannis; Armstrong, Thomas P; Bolton, Scott J; Cheng, Andrew F; Gloeckler, George; Hsieh, K C; Keath, Edwin P; Krupp, Norbert; Lagg, Andreas; Lanzerotti, Louis J; Livi, Stefano; Mauk, Barry H; McEntire, Richard W; Roelof, Edmond C; Wilken, Berend; Williams, Donald J

2002-02-28

Several planetary missions have reported the presence of substantial numbers of energetic ions and electrons surrounding Jupiter; relativistic electrons are observable up to several astronomical units (au) from the planet. A population of energetic (>30[?]keV) neutral particles also has been reported, but the instrumentation was not able to determine the mass or charge state of the particles, which were subsequently labelled energetic neutral atoms. Although images showing the presence of the trace element sodium were obtained, the source and identity of the neutral atoms---and their overall significance relative to the loss of charged particles from Jupiter's magnetosphere---were unknown. Here we report the discovery by the Cassini spacecraft of a fast (>103[?]km[?]s-1) and hot magnetospheric neutral wind extending more than 0.5[?]au from Jupiter, and the presence of energetic neutral atoms (both hot and cold) that have been accelerated by the electric field in the solar wind. We suggest that these atoms originate in volcanic gases from Io, undergo significant evolution through various electromagnetic interactions, escape Jupiter's magnetosphere and then populate the environment around the planet. Thus a 'nebula' is created that extends outwards over hundreds of jovian radii.

Pulsed-voltage atom probe tomography of low conductivity and insulator materials by application of ultrathin metallic coating on nanoscale specimen geometry.

PubMed

Adineh, Vahid R; Marceau, Ross K W; Chen, Yu; Si, Kae J; Velkov, Tony; Cheng, Wenlong; Li, Jian; Fu, Jing

2017-10-01

We present a novel approach for analysis of low-conductivity and insulating materials with conventional pulsed-voltage atom probe tomography (APT), by incorporating an ultrathin metallic coating on focused ion beam prepared needle-shaped specimens. Finite element electrostatic simulations of coated atom probe specimens were performed, which suggest remarkable improvement in uniform voltage distribution and subsequent field evaporation of the insulated samples with a metallic coating of approximately 10nm thickness. Using design of experiment technique, an experimental investigation was performed to study physical vapor deposition coating of needle specimens with end tip radii less than 100nm. The final geometries of the coated APT specimens were characterized with high-resolution scanning electron microscopy and transmission electron microscopy, and an empirical model was proposed to determine the optimal coating thickness for a given specimen size. The optimal coating strategy was applied to APT specimens of resin embedded Au nanospheres. Results demonstrate that the optimal coating strategy allows unique pulsed-voltage atom probe analysis and 3D imaging of biological and insulated samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Transition metal intercalated bilayer silicene

NASA Astrophysics Data System (ADS)

Pandey, Dhanshree; Kamal, C.; Chakrabarti, Aparna

2018-04-01

We investigate the electronic and magnetic properties of Mn, Fe and Co-intercalated silicene bilayer with AA and AB stacking by using spin polarized density functional theory. The intercalation of Mn increases the gap between the two layers of silicene due to the larger atomic radii of Mn as compared to Fe and Co. Bader charge analysis has been performed to understand the bonding between the TM and Si atoms. This also helps in explaining the magnetic moment possessed by the composite systems after intercalating TM in between the layers of bilayer silicene system. This study reveals that a significant net magnetic moment is observed in cases of Mn-intercalated silicene bilayers, whereas Fe has a very small moment of 0.78 µB in the case of AA stacking configuration only. Co intercalation leads to net zero magnetic moment. Further, we find that Fe and Co marginally favor the AB stacking whereas Mn has a slight preference of the AA over the AB configuration. The composite systems, specifically when intercalated with Fe and Co atoms, favor a hybridization which is far away from sp3-like hybridization along the plane of Si atoms in bilayer silicene.

Effective Particle Size From Molecular Dynamics Simulations in Fluids

DOE PAGES

Ju, Jianwei; Welch, Paul Michael Jr.; Rasmussen, Kim Orskov; ...

2017-12-08

Here, we report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. Thismore » procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks–Chandler–Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ~0.75σ, where σ defines the length scale of the force interaction (the LJ diameter). The effective “hydrodynamic” radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ, but agree with a value developed from the atomistic analysis of the viscosity of such systems.« less

Global Images of Trapped Ring Current Ions During Main Phase of 17 March 2015 Geomagnetic Storm as Observed by TWINS

NASA Technical Reports Server (NTRS)

Perez, J. D.; Goldstein, J.; McComas, D. J.; Valek, P.; Fok, Mei-Ching; Hwang, Kyoung-Joo

2016-01-01

A unique view of the trapped particles in the inner magnetosphere provided by energetic neutral atom (ENA) imaging is used to observe the dynamics of the spatial structure and the pitch angle anisotropy on a global scale during the last 6 h of the main phase of a large geomagnetic storm (minimum SYM-H 230 nT) that began on 17 March 2015. Ion flux and pressure anisotropy obtained from Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) ENA images are shown. The ion flux shows two peaks, an inner one at approximately radii 34 RE in the dusk-to-midnight sector and an outer peak at radii 89 RE prior to midnight. The inner peak is relatively stationary during the entire period with some intensification during the final steep decline in SYM-H to its minimum. The outer peak shows the significant temporal variation brightening and dimming and finally disappearing at the end of the main phase. The pressure anisotropy shows the expected perpendicular pitch angles inside of L 6 but shows parallel pitch angles at greater L values. This is interpreted as consistent with pitch angle-dependent drift as modeled in the Tsy05 magnetic field and Comprehensive Inner Magnetosphere-Ionosphere simulations. The TWINS results are compared directly with Radiation Belt Storm Probes Ion Composition Experiment (RBSPICE)-A measurements. Using 15 min snapshots of flux and pressure anisotropy from TWINS along the path of RBSPICE-A during the 6 h focused upon in this study, the essential features displayed in the TWINS global images are supported.

Effective Particle Size From Molecular Dynamics Simulations in Fluids

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

Ju, Jianwei; Welch, Paul Michael Jr.; Rasmussen, Kim Orskov

Here, we report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. Thismore » procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks–Chandler–Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ~0.75σ, where σ defines the length scale of the force interaction (the LJ diameter). The effective “hydrodynamic” radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ, but agree with a value developed from the atomistic analysis of the viscosity of such systems.« less

Observations and Interpretations of Energetic Neutral Hydrogen Atoms from the December 5, 2006 Solar Event

NASA Technical Reports Server (NTRS)

Mewaldt, R. A.; Leske, R. A.; Shih, A. Y.; Stone, E. C.; Barghouty, A. f.; Cohen, C. M. S.; Cummings, A. c.; Labrador, A. W.; vonRosenvinge, T. T.

2009-01-01

We discuss recently reported observations of energetic neutral hydrogen atoms (ENAs) from an X9 solar flare/coronal mass ejection event on 5 December 2006, located at E79. The observations were made by the Low Energy Telescopes (LETs) on STEREO A and B. Prior to the arrival of the main solar energetic particle (SEP) event at Earth, both LETs observed a sudden burst of 1.6 to 15 MeV energetic neutral hydrogen atoms produced by either flare or shock-accelerated protons. RHESSI measurements of the 2.2-MeV gamma-ray line provide an estimate of the number of interacting flare-accelerated protons in this event, which leads to an improved estimate of ENA production by flare-accelerated protons. Taking into account ENA losses, we find that the observed ENAs must have been produced in the high corona at heliocentric distances > or equal to 2 solar radii. Although there are no CME images from this event, it is shown that CME-shock-accelerated protons can, in principle, produce a time-history consistent with the observations.

Treecode-based generalized Born method

NASA Astrophysics Data System (ADS)

Xu, Zhenli; Cheng, Xiaolin; Yang, Haizhao

2011-02-01

We have developed a treecode-based O(Nlog N) algorithm for the generalized Born (GB) implicit solvation model. Our treecode-based GB (tGB) is based on the GBr6 [J. Phys. Chem. B 111, 3055 (2007)], an analytical GB method with a pairwise descreening approximation for the R6 volume integral expression. The algorithm is composed of a cutoff scheme for the effective Born radii calculation, and a treecode implementation of the GB charge-charge pair interactions. Test results demonstrate that the tGB algorithm can reproduce the vdW surface based Poisson solvation energy with an average relative error less than 0.6% while providing an almost linear-scaling calculation for a representative set of 25 proteins with different sizes (from 2815 atoms to 65456 atoms). For a typical system of 10k atoms, the tGB calculation is three times faster than the direct summation as implemented in the original GBr6 model. Thus, our tGB method provides an efficient way for performing implicit solvent GB simulations of larger biomolecular systems at longer time scales.

The two radii of a charged particle.

PubMed

Michov, B M

1989-01-01

The existence of two radii of each charged particle-a geometric and electrokinetic radii, is supposed. The mathematical relationship between them in the four possible combinations of an ion and its counterion is analyzed: (i) at equal geometric radii and, in absolute values, equal valencies; (ii) at equal geometric radii and, in absolute values, different valencies; (iii) at different geometric radii and, in absolute values, equal valencies; (iv) at different geometric radii and, in absolute values, different valencies. One of the equations worked out can be used to define the relationship between the geometric and electrokinetic radii of a polyion. All the equations are used in working out precise calculations.

Thermal escape from extrasolar giant planets

PubMed Central

Koskinen, Tommi T.; Lavvas, Panayotis; Harris, Matthew J.; Yelle, Roger V.

2014-01-01

The detection of hot atomic hydrogen and heavy atoms and ions at high altitudes around close-in extrasolar giant planets (EGPs) such as HD209458b implies that these planets have hot and rapidly escaping atmospheres that extend to several planetary radii. These characteristics, however, cannot be generalized to all close-in EGPs. The thermal escape mechanism and mass loss rate from EGPs depend on a complex interplay between photochemistry and radiative transfer driven by the stellar UV radiation. In this study, we explore how these processes change under different levels of irradiation on giant planets with different characteristics. We confirm that there are two distinct regimes of thermal escape from EGPs, and that the transition between these regimes is relatively sharp. Our results have implications for thermal mass loss rates from different EGPs that we discuss in the context of currently known planets and the detectability of their upper atmospheres. PMID:24664923

[μ-Bis(diphenyl­phosphan­yl)methane]­tricarbon­yl(μ-p-toluene­sulfonyl­meth­yl isocyanato)(triphenyl­phosphane)ironplatinum(Fe—Pt)

PubMed Central

Jourdain, Isabelle; Knorr, Michael; Koller, Stephan G.; Strohmann, Carsten

2012-01-01

The title compound, [FePt(C9H9NO2S)(C18H15P)(C25H22P2)(CO)3], represents a rare example of an isonitrile-bridged heterobimetallic complex (here Pt and Fe) and is an inter­esting precursor for the preparation of heterodinuclear μ-amino­carbyne complexes, since the basic imine-type N atom of the μ2-C=N–R ligand readily undergoes addition with various electrophiles to afford iminium-like salts. In the crystal, the almost symmetrically bridging μ2-C=N-R ligand (neglecting the different atomic radii of Fe and Pt) is strongly bent towards the Fe(CO)3 fragment, with a C=N-R angle of only 121.1 (4)°. PMID:22412466

Spin-Imbalanced Quasi-Two-Dimensional Fermi Gases

NASA Astrophysics Data System (ADS)

Ong, W.; Cheng, Chingyun; Arakelyan, I.; Thomas, J. E.

2015-03-01

We measure the density profiles for a Fermi gas of Li 6 containing N1 spin-up atoms and N2 spin-down atoms, confined in a quasi-two-dimensional geometry. The spatial profiles are measured as a function of spin imbalance N2/N1 and interaction strength, which is controlled by means of a collisional (Feshbach) resonance. The measured cloud radii and central densities are in disagreement with mean-field Bardeen-Cooper-Schrieffer theory for a true two-dimensional system. We find that the data for normal-fluid mixtures are reasonably well fit by a simple two-dimensional polaron model of the free energy. Not predicted by the model is a phase transition to a spin-balanced central core, which is observed above a critical value of N2/N1. Our observations provide important benchmarks for predictions of the phase structure of quasi-two-dimensional Fermi gases.

Substitutional alloy of Ce and Al

PubMed Central

Zeng, Qiao-Shi; Ding, Yang; Mao, Wendy L.; Luo, Wei; Blomqvist, Andreas; Ahuja, Rajeev; Yang, Wenge; Shu, Jinfu; Sinogeikin, Stas V.; Meng, Yue; Brewe, Dale L.; Jiang, Jian-Zhong; Mao, Ho-kwang

2009-01-01

The formation of substitutional alloys has been restricted to elements with similar atomic radii and electronegativity. Using high-pressure at 298 K, we synthesized a face-centered cubic disordered alloy of highly dissimilar elements (large Ce and small Al atoms) by compressing the Ce3Al intermetallic compound >15 GPa or the Ce3Al metallic glass >25 GPa. Synchrotron X-ray diffraction, Ce L3-edge absorption spectroscopy, and ab initio calculations revealed that the pressure-induced Kondo volume collapse and 4f electron delocalization of Ce reduced the differences between Ce and Al and brought them within the Hume-Rothery (HR) limit for substitutional alloying. The alloy remained after complete release of pressure, which was also accompanied by the transformation of Ce back to its ambient 4f electron localized state and reversal of the Kondo volume collapse, resulting in a non-HR alloy at ambient conditions. PMID:19188608

Imaging the Sources and Full Extent of the Sodium Tail of the Planet Mercury

NASA Technical Reports Server (NTRS)

Baumgardner, Jeffrey; Wilson, Jody; Mendillo, Michael

2008-01-01

Observations of sodium emission from Mercury can be used to describe the spatial and temporal patterns of sources and sinks in the planet s surface-boundary-exosphere. We report on new data sets that provide the highest spatial resolution of source regions at polar latitudes, as well as the extraordinary length of a tail of escaping Na atoms. The tail s extent of approx.1.5 degrees (nearly 1400 Mercury radii) is driven by radiation pressure effects upon Na atoms sputtered from the surface in the previous approx.5 hours. Wide-angle filtered-imaging instruments are thus capable of studying the time history of sputtering processes of sodium and other species at Mercury from ground-based observatories in concert with upcoming satellite missions to the planet. Plasma tails produced by photo-ionization of Na and other gases in Mercury s neutral tails may be observable by in-situ instruments.

Thermal escape from extrasolar giant planets.

PubMed

Koskinen, Tommi T; Lavvas, Panayotis; Harris, Matthew J; Yelle, Roger V

2014-04-28

The detection of hot atomic hydrogen and heavy atoms and ions at high altitudes around close-in extrasolar giant planets (EGPs) such as HD209458b implies that these planets have hot and rapidly escaping atmospheres that extend to several planetary radii. These characteristics, however, cannot be generalized to all close-in EGPs. The thermal escape mechanism and mass loss rate from EGPs depend on a complex interplay between photochemistry and radiative transfer driven by the stellar UV radiation. In this study, we explore how these processes change under different levels of irradiation on giant planets with different characteristics. We confirm that there are two distinct regimes of thermal escape from EGPs, and that the transition between these regimes is relatively sharp. Our results have implications for thermal mass loss rates from different EGPs that we discuss in the context of currently known planets and the detectability of their upper atmospheres.

The Inner Magnetosphere Imager mission

NASA Technical Reports Server (NTRS)

Gallagher, D. L.

1994-01-01

The Inner Magnetosphere Imager (IMI) mission will carry instruments to globally image energetic neutral atoms, far and extreme ultraviolet light, and X-rays. These imagers will see the ring current, inner plasmasheet, plasmasphere, aurora, and geocorona. With these observations it will be possible, for the first time, to develop an understanding of the global shape of the inner magnetosphere and the interrelationships between its parts. Seven instruments are currently envisioned on a single spinning spacecraft with a despun platform. IMI will be launched into an elliptical, polar orbit with an apogee of approximately 7 Earth radii altitude and perigee of 4800 km altitude.

Multiconfiguration calculations of electronic isotope shift factors in Al i

NASA Astrophysics Data System (ADS)

Filippin, Livio; Beerwerth, Randolf; Ekman, Jörgen; Fritzsche, Stephan; Godefroid, Michel; Jönsson, Per

2016-12-01

The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of electronic isotope shift factors for a set of transitions between low-lying levels of neutral aluminium. These electronic quantities together with observed isotope shifts between different pairs of isotopes provide the changes in mean-square charge radii of the atomic nuclei. Two computational approaches are adopted for the estimation of the mass- and field-shift factors. Within these approaches, different models for electron correlation are explored in a systematic way to determine a reliable computational strategy and to estimate theoretical error bars of the isotope shift factors.

Spatial Distribution of Io's Neutral Oxygen Cloud Observed by Hisaki

NASA Astrophysics Data System (ADS)

Koga, Ryoichi; Tsuchiya, Fuminori; Kagitani, Masato; Sakanoi, Takeshi; Yoneda, Mizuki; Yoshioka, Kazuo; Yoshikawa, Ichiro; Kimura, Tomoki; Murakami, Go; Yamazaki, Atsushi; Smith, H. Todd; Bagenal, Fran

2018-05-01

We report on the spatial distribution of a neutral oxygen cloud surrounding Jupiter's moon Io and along Io's orbit observed by the Hisaki satellite. Atomic oxygen and sulfur in Io's atmosphere escape from the exosphere mainly through atmospheric sputtering. Some of the neutral atoms escape from Io's gravitational sphere and form neutral clouds around Jupiter. The extreme ultraviolet spectrograph called EXCEED (Extreme Ultraviolet Spectroscope for Exospheric Dynamics) installed on the Japan Aerospace Exploration Agency's Hisaki satellite observed the Io plasma torus continuously in 2014-2015, and we derived the spatial distribution of atomic oxygen emissions at 130.4 nm. The results show that Io's oxygen cloud is composed of two regions, namely, a dense region near Io and a diffuse region with a longitudinally homogeneous distribution along Io's orbit. The dense region mainly extends on the leading side of Io and inside of Io's orbit. The emissions spread out to 7.6 Jupiter radii (RJ). Based on Hisaki observations, we estimated the radial distribution of the atomic oxygen number density and oxygen ion source rate. The peak atomic oxygen number density is 80 cm-3, which is spread 1.2 RJ in the north-south direction. We found more oxygen atoms inside Io's orbit than a previous study. We estimated the total oxygen ion source rate to be 410 kg/s, which is consistent with the value derived from a previous study that used a physical chemistry model based on Hisaki observations of ultraviolet emission ions in the Io plasma torus.

Nanometric edge profile measurement of cutting tools on a diamond turning machine

NASA Astrophysics Data System (ADS)

Asai, Takemi; Arai, Yoshikazu; Cui, Yuguo; Gao, Wei

2008-10-01

Single crystal diamond tools are used for fabrication of precision parts [1-5]. Although there are many types of tools that are supplied, the tools with round nose are popular for machining very smooth surfaces. Tools with small nose radii, small wedge angles and included angles are also being utilized for fabrication of micro structured surfaces such as microlens arrays [6], diffractive optical elements and so on. In ultra precision machining, tools are very important as a part of the machining equipment. The roughness or profile of machined surface may become out of desired tolerance. It is thus necessary to know the state of the tool edge accurately. To meet these requirements, an atomic force microscope (AFM) for measuring the 3D edge profiles of tools having nanometer-scale cutting edge radii with high resolution has been developed [7-8]. Although the AFM probe unit is combined with an optical sensor for aligning the measurement probe with the tools edge top to be measured in short time in this system, this time only the AFM probe unit was used. During the measurement time, that was attached onto the ultra precision turning machine to confirm the possibility of profile measurement system.

A strategy for reducing gross errors in the generalized Born models of implicit solvation

PubMed Central

Onufriev, Alexey V.; Sigalov, Grigori

2011-01-01

The “canonical” generalized Born (GB) formula [C. Still, A. Tempczyk, R. C. Hawley, and T. Hendrickson, J. Am. Chem. Soc. 112, 6127 (1990)] is known to provide accurate estimates for total electrostatic solvation energies ΔGel of biomolecules if the corresponding effective Born radii are accurate. Here we show that even if the effective Born radii are perfectly accurate, the canonical formula still exhibits significant number of gross errors (errors larger than 2kBT relative to numerical Poisson equation reference) in pairwise interactions between individual atomic charges. Analysis of exact analytical solutions of the Poisson equation (PE) for several idealized nonspherical geometries reveals two distinct spatial modes of the PE solution; these modes are also found in realistic biomolecular shapes. The canonical GB Green function misses one of two modes seen in the exact PE solution, which explains the observed gross errors. To address the problem and reduce gross errors of the GB formalism, we have used exact PE solutions for idealized nonspherical geometries to suggest an alternative analytical Green function to replace the canonical GB formula. The proposed functional form is mathematically nearly as simple as the original, but depends not only on the effective Born radii but also on their gradients, which allows for better representation of details of nonspherical molecular shapes. In particular, the proposed functional form captures both modes of the PE solution seen in nonspherical geometries. Tests on realistic biomolecular structures ranging from small peptides to medium size proteins show that the proposed functional form reduces gross pairwise errors in all cases, with the amount of reduction varying from more than an order of magnitude for small structures to a factor of 2 for the largest ones. PMID:21528947

VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactions.

PubMed

Kuechler, Erich R; Giese, Timothy J; York, Darrin M

2016-04-28

To better represent the solvation effects observed along reaction pathways, and of ionic species in general, a charge-dependent variable-radii smooth conductor-like screening model (VR-SCOSMO) is developed. This model is implemented and parameterized with a third order density-functional tight binding quantum model, DFTB3/3OB-OPhyd, a quantum method which was developed for organic and biological compounds, utilizing a specific parameterization for phosphate hydrolysis reactions. Unlike most other applications with the DFTB3/3OB model, an auxiliary set of atomic multipoles is constructed from the underlying DFTB3 density matrix which is used to interact the solute with the solvent response surface. The resulting method is variational, produces smooth energies, and has analytic gradients. As a baseline, a conventional SCOSMO model with fixed radii is also parameterized. The SCOSMO and VR-SCOSMO models shown have comparable accuracy in reproducing neutral-molecule absolute solvation free energies; however, the VR-SCOSMO model is shown to reduce the mean unsigned errors (MUEs) of ionic compounds by half (about 2-3 kcal/mol). The VR-SCOSMO model presents similar accuracy as a charge-dependent Poisson-Boltzmann model introduced by Hou et al. [J. Chem. Theory Comput. 6, 2303 (2010)]. VR-SCOSMO is then used to examine the hydrolysis of trimethylphosphate and seven other phosphoryl transesterification reactions with different leaving groups. Two-dimensional energy landscapes are constructed for these reactions and calculated barriers are compared to those obtained from ab initio polarizable continuum calculations and experiment. Results of the VR-SCOSMO model are in good agreement in both cases, capturing the rate-limiting reaction barrier and the nature of the transition state.

Break-junction experiments on the zero-bias anomaly of non-magnetic and ferromagnetically ordered metals

NASA Astrophysics Data System (ADS)

Gloos, Kurt; Tuuli, Elina

2012-12-01

We have investigated break junctions of normal non-magnetic metals as well as ferromagnets at low temperatures. The point contacts with radii 0.15—15 nm showed zero-bias anomalies which can be attributed to Kondo scattering at a single Kondo impurity at the contact or to the switching of a single conducting channel. The Kondo temperatures derived from the width of the anomalies varied between 10 and 1000 K. These results agree well with literature data on atomic-size contacts of the ferromagnets as well as with spear-anvil type contacts on a wide variety of metals.

Nanoscale measurements of phosphorous-induced lattice expansion in nanosecond laser annealed germanium

NASA Astrophysics Data System (ADS)

Boninelli, S.; Milazzo, R.; Carles, R.; Houdellier, F.; Duffy, R.; Huet, K.; La Magna, A.; Napolitani, E.; Cristiano, F.

2018-05-01

Laser Thermal Annealing (LTA) at various energy densities was used to recrystallize and activate amorphized germanium doped with phosphorous by ion implantation. The structural modifications induced during the recrystallization and the related dopant diffusion were first investigated. After LTA at low energy densities, the P electrical activation was poor while the dopant distribution was mainly localized in the polycrystalline Ge resulting from the anneal. Conversely, full dopant activation (up to 1 × 1020 cm-3) in a perfectly recrystallized material was observed after annealing at higher energy densities. Measurements of lattice parameters performed on the fully activated structures show that P doping results in a lattice expansion, with a perpendicular lattice strain per atom βPs = +0.7 ± 0.1 Å3. This clearly indicates that, despite the small atomic radius of P compared to Ge, the "electronic contribution" to the lattice parameter modification (due to the increased hydrostatic deformation potential in the conduction band of P doped Ge) is larger than the "size mismatch contribution" associated with the atomic radii. Such behavior, predicted by theory, is observed experimentally for the first time, thanks to the high sensitivity of the measurement techniques used in this work.

Observation and Interpretation of Energetic Neutral Hydrogen Atoms from the December 5, 2006 Solar Flare

NASA Technical Reports Server (NTRS)

Barghouty, A. F.; Mewaldt, R. A.; Leske, R. A.; Shih, A. Y.; Stone, E. C.; Cohen, C. M. S.; Cummings, A. C.; Labrador, A. W.; vonRosenvinge, T. T.; Wiedenbeck, M. E.

2009-01-01

We discuss observations of energetic neutral hydrogen atoms (ENAs) from a solar flare/coronal mass ejection event reported by Mewaldt et al. (2009). The observations were made during the 5 December 2006 X9 solar flare, located at E79, by the Low Energy Telescopes (LETs) on STEREO A and B. Prior to the arrival of the main solar energetic particle (SEP) event at Earth, both LETs observed a sudden burst of 1.6 to 15 MeV particles arriving from the Sun. The derived solar emission profile, arrival directions, and energy spectrum all show that the <5 MeV particles were due to energetic neutral hydrogen atoms produced by either flare or shock-accelerated protons. RHESSI measurements of the 2.2-MeV gamma-ray line provide an estimate of the number of interacting flare-accelerated protons in this event, which leads to an improved estimate of ENA production by flare-accelerated protons. CME-driven shock acceleration is also considered. Taking into account ENA losses, we conclude that the observed ENAs must have been produced in the high corona at heliocentric distances .2 solar radii.

Effects of solutes on dislocation nucleation from grain boundaries

DOE PAGES

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

2016-12-27

When grain sizes are reduced to the nanoscale, grain boundaries (GB) become the dominant sources of the dislocations that enable plastic deformation. Here, we present the first molecular dynamics (MD) study of the effect of substitutional solutes on the dislocation nucleation process from GBs during uniaxial tensile deformation. A simple bi-crystal geometry is utilized in which the nucleation and propagation of dislocations away from a GB is the only active mechanism of plastic deformation. Solutes with atomic radii both larger and smaller than the solvent atomic radius were considered. Although the segregation sites are different for the two cases, bothmore » produce increases in the stress required to nucleate a dislocation. MD simulations at room temperature revealed that this increase in the nucleation stress is associated with changes of the GB structure at the emission site caused by dislocation emission, leading to increases in the heats of segregation of the solute atoms, which cannot diffuse to lower-energy sites on the timescale of the nucleation event. These results contribute directly to understanding the strength of nanocrystalline materials, and suggest suitable directions for nanocrystalline alloy design leading toward structural applications.« less

Free vibration analysis of single-walled boron nitride nanotubes based on a computational mechanics framework

NASA Astrophysics Data System (ADS)

Yan, J. W.; Tong, L. H.; Xiang, Ping

2017-12-01

Free vibration behaviors of single-walled boron nitride nanotubes are investigated using a computational mechanics approach. Tersoff-Brenner potential is used to reflect atomic interaction between boron and nitrogen atoms. The higher-order Cauchy-Born rule is employed to establish the constitutive relationship for single-walled boron nitride nanotubes on the basis of higher-order gradient continuum theory. It bridges the gaps between the nanoscale lattice structures with a continuum body. A mesh-free modeling framework is constructed, using the moving Kriging interpolation which automatically satisfies the higher-order continuity, to implement numerical simulation in order to match the higher-order constitutive model. In comparison with conventional atomistic simulation methods, the established atomistic-continuum multi-scale approach possesses advantages in tackling atomic structures with high-accuracy and high-efficiency. Free vibration characteristics of single-walled boron nitride nanotubes with different boundary conditions, tube chiralities, lengths and radii are examined in case studies. In this research, it is pointed out that a critical radius exists for the evaluation of fundamental vibration frequencies of boron nitride nanotubes; opposite trends can be observed prior to and beyond the critical radius. Simulation results are presented and discussed.

On the Highest Oxidation States of Metal Elements in MO4 Molecules (M = Fe, Ru, Os, Hs, Sm, and Pu).

PubMed

Huang, Wei; Xu, Wen-Hua; Schwarz, W H E; Li, Jun

2016-05-02

Metal tetraoxygen molecules (MO4, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with eight valence electrons are theoretically studied using density functional and correlated wave function approaches. The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of Td symmetry in (1)A1 electronic states with empty metal d(0) valence shell and closed-shell O(2-) ligands, while the 3d-, 4f-, and 5f-elements Fe, Sm, and Pu prefer partial occupation of their valence shells and peroxide or superoxide ligands at lower symmetry structures with various spin couplings. The different geometric and electronic structures and chemical bonding types of the six iso-stoichiometric species are explained in terms of atomic orbital energies and orbital radii. The variations found here contribute to our general understanding of the periodic trends of oxidation states across the periodic table.

Modelos estereoquimicos na quimica de coordenacao e organometalica de lantanideos e actinideos: aplicacoes a complexos de torio (iv) com boratos de polipirazolilo (Stereochemical models in lanthanide and actinide coordination and organometallic chemistry: Applications to thorium (IV) complexes with polypyrazolylborates). Doctoral thesis

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

de Almeida, J.C.M.

1990-01-01

A detailed analysis is made of two stereochemical models commonly used in lanthanide and actinide coordination and organometallic chemistry. Li Xing-fu's Cone Packing Model and K. N. Raymond's Ionic Model. Corrections are introduced in the first model as a basis to discuss the stability and structure of known complexes. A Steric Coordination Number is defined for the second model, based on the solid angle to correlate metal-ligand distances in complexes with the ionic radii of the elements and to assign effective radii to the ligands, related to the donating power of the coordinating atoms. As an application of the models,more » the syntheses and characterizations of thorium(IV) complexes with polypyrazolylborates. (HBPz3) {sup -1} and (HB(3.5-Me2Pz)3) {sup -1}, and alkoxides, aryloxides, carboxylates, amides, thiolates, alkyls and cyclopentadienyl are described and their stabilities discussed. The geometries of the complexes in the solid and in solution are discussed and a mechanism is proposed to explain the fluxionality in solution of the complexes with (HBPz3) {sup -1}.« less

Spectroscopic and structural investigation of interaction of 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione potassium salt with molecular iodine

NASA Astrophysics Data System (ADS)

Ivolgina, Victoria A.; Chernov'yants, Margarita S.

2018-06-01

The interest in the study of heteroaromatic thioamides which are known to exhibit antithyroid activity is stimulated by the variety and an unusual structure their complexes with molecular iodine. The directions of dithiones investigation are diversity enough, however a few works are devoted to the study them as the potential thyreostatics. The ability of 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thion potassium salt to form the outer-sphere charge-transfer complex in dilute chloroform solution, coordinating 2 iodine molecules has been studied by UV-vis spectroscopy (lgβ = 7.91). The compound of the 5,5‧-disulfanediylbis(3-phenyl-1,3,4-thiadiazole-2(3H)-thione) - product of irreversible oxidation of 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione potassium salt has been isolated and characterized by X-ray diffraction. Intermolecular interactions between sulfur atoms are observed with very short interatomic distance, shorter than sum of van der Waals radii. The contact between heterocyclic sulfur and heterocyclic nitrogen is also slightly short - 3.169 Å (0.053 Å less than vdW radii sum). This investigation constitutes a starting point for study of novel antithyroid drugs in future.

Spectroscopic and structural investigation of interaction of 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione potassium salt with molecular iodine.

PubMed

Ivolgina, Victoria A; Chernov'yants, Margarita S

2018-06-15

The interest in the study of heteroaromatic thioamides which are known to exhibit antithyroid activity is stimulated by the variety and an unusual structure their complexes with molecular iodine. The directions of dithiones investigation are diversity enough, however a few works are devoted to the study them as the potential thyreostatics. The ability of 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thion potassium salt to form the outer-sphere charge-transfer complex in dilute chloroform solution, coordinating 2 iodine molecules has been studied by UV-vis spectroscopy (lgβ=7.91). The compound of the 5,5'-disulfanediylbis(3-phenyl-1,3,4-thiadiazole-2(3H)-thione) - product of irreversible oxidation of 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione potassium salt has been isolated and characterized by X-ray diffraction. Intermolecular interactions between sulfur atoms are observed with very short interatomic distance, shorter than sum of van der Waals radii. The contact between heterocyclic sulfur and heterocyclic nitrogen is also slightly short - 3.169Å (0.053Å less than vdW radii sum). This investigation constitutes a starting point for study of novel antithyroid drugs in future. Copyright © 2018 Elsevier B.V. All rights reserved.

Few-Nucleon Charge Radii and a Precision Isotope Shift Measurement in Helium

NASA Astrophysics Data System (ADS)

Hassan Rezaeian, Nima; Shiner, David

2015-05-01

Precision atomic theory and experiment provide a valuable method to determine few nucleon charge radii, complementing the more direct scattering approaches, and providing sensitive tests of few-body nuclear theory. Some puzzles with respect to this method exist, particularly in the muonic and electronic measurements of the proton radius, and as well with respect to measurements of nuclear size in helium. We perform precision measurements of the isotope shift of the 23S -23P transitions in 3He and 4He. A tunable laser frequency discriminator and electro-optic modulation technique give precise frequency and intensity control. We select (ts <50 ms) and stabilize the intensity of the required sideband and eliminate the unused sidebands (<= 10¬5) . The technique uses a MEMS fiber switch (ts = 10 ms) and several temperature stabilized narrow band (3 GHz) fiber gratings. A fiber based optical circulator and amplifier provide the desired isolation and net gain for the selected frequency. A beam with both species of helium is achieved using a custom fiber laser for simultaneous optical pumping. A servo-controlled retro-reflected laser beam eliminates Doppler effects. Careful detection design and software control allows for unbiased data collection. Current results will be discussed. This work is supported by NSF PHY-1068868 and PHY-1404498.

Synthesis-property relationship in thermoelectric Sr1-xYbxTiO3-δ ceramics

NASA Astrophysics Data System (ADS)

Bhattacharya, S.; Mehdizadeh Dehkordi, A.; Alshareef, H. N.; Tritt, T. M.

2014-09-01

The electronic transport properties of a series of Sr1-xYbxTiO3-δ(x = 0.05, 0.1) ceramics are investigated as a function of solid-state reaction (SSR) parameters, specifically calcination steps. It was found that the electrical conductivity (σ) increases almost by a factor of 6, through the optimization of SSR parameters. The enhancement in the electrical conductivity leads to an enhancement in the thermoelectric power factor by a factor of 3. In addition, the lattice thermal conductivity (κL) of the Sr1-xYbxTiO3-δ ceramics is suppressed with increasing Yb-doping, supposedly due to heavier atomic mass of Yb substituted at the Sr site and a smaller ionic radii of Yb+3 with respect to Sr+2 ions. However, our model calculations indicate that strain-field effect, which occurs due to the difference in ionic radii, is the more prominent phonon scattering mechanism in the Yb-doped SrTiO3. This work is an extension of our previous study on the underlying phonon scattering mechanisms in the Y-doped SrTiO3, which would provide new insight into thermal transport in doped SrTiO3 and could be used as a guideline for more effective material synthesis.

Nature and Strength of the Inner-Core H⋅⋅⋅H Interactions in Porphyrinoids.

PubMed

Singh, Ankit; Sahoo, Dipak Kumar; Sethi, Srikant Kumar; Jena, Subhrakant; Biswal, Himansu S

2017-12-15

Several recent publications have illustrated that electrostatic attraction is not solely responsible for strong hydrogen bonds. Even electropositive and less electronegative atoms such as Te and Se are capable of forming strong H-bonds. Herein, we provide evidence for intramolecular homopolar dihydrogen bonds [HOMO-DHBs; X-N(C)-H δ+ ⋅⋅⋅ δ+ H-N(C)-Y] in porphyrins and related compounds for the first time; these bonds are revealed by careful Cambridge Structural Database (CSD) exploration, quantum theory of atoms in molecules, compliance constant calculations, and natural bond orbital and noncovalent interaction (NCI) analysis. A search of the CSD showed that the inner-core hydrogen atom distances were less than 2.5 Å (sum of the van der Waals radii of two hydrogen atoms is 2.4 Å) in porphyrinoids, i.e. about 75 % of the cases. This suggested an attractive interaction between hydrogen atoms carrying a positive charge, which was further supported by quantum-chemical calculations. The HOMO-DHB energy in some cases was found to be as much as around 20 kJ mol -1 , which is comparable to that of any conventional H-bond energy such as for the NH 3 dimer. The interplay between hyperconjugative attraction and steric constraint favorably decided the strength of the HOMO-DHBs. We expect that HOMO-DHBs could be revealed in many more systems, such as corroles, phlorins, crown ethers, and constrained systems having hydrogen atoms in close contact, and could be an important noncovalent interaction to consider in supramolecular chemistry. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from {sub 55}Cs to {sub 80}Hg

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

Tatewaki, Hiroshi, E-mail: htatewak@nsc.nagoya-cu.ac.jp; Institute of Advanced Studies in Artificial Intelligence, Chukyo University, Toyota, Aichi 470-0393; Hatano, Yasuyo

We consider, for atoms from {sub 55}Cs to {sub 80}Hg, the effective atomic radius (r{sub ear}), which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He{sub 2}. The values of r{sub ear} are about 50% larger than the mean radius of the outermost occupied orbital of 6s, . The value of r{sub ear} decreases from {sub 55}Cs to {sub 56}Ba and undergoes increases and decreases with rising nuclear charge from {sub 57}La to {sub 70}Y b. Inmore » fact r{sub ear} is understood as comprising two interlaced sequences; one consists of {sub 57}La, {sub 58}Ce, and {sub 64}Gd, which have electronic configuration (4f{sup n−1})(5d{sup 1})(6s{sup 2}), and the remaining atoms have configuration (4f{sup n})(6s{sup 2}). The sphere defined by r{sub ear} contains 85%–90% of the 6s electrons. From {sub 71}Lu to {sub 80}Hg the radius r{sub ear} also involves two sequences, corresponding to the two configurations 5d{sup n+1}6s{sup 1} and 5d{sup n}6s{sup 2}. The radius r{sub ear} according to the present methodology is considerably larger than r{sub vdW} obtained by other investigators, some of who have found values of r{sub vdW} close to .« less

The Temporal Evolution of the Nanostructure of a Model Ni-Al-Cr Superalloy

NASA Technical Reports Server (NTRS)

Sudbrack, Chantal K.; Yoon, Kevin E.; Noebe, Ronald D.; Seidman, David N.

2004-01-01

The early to the later stages of precipitation of ordered gamma'-precipitates (L1(sub 2)) in Ni-5.2 Al-14.2 Cr (at.%) are studied at 873 K. Precipitates with radii as small as 0.45 nm are characterized fully by three-dimensional atom-probe (3DAP) microscopy. Contrary to what is often assumed by theory or in models, the average precipitate composition is shown to evolve with time, such that solute concentrations decrease toward an equilibrium value given by the solvus lines. Power-law time dependencies of the number density, mean radius, and supersaturations of Al and Cr are discussed in light of theoretical predictions for Ostwald ripening.

Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements

NASA Astrophysics Data System (ADS)

Denis, Pablo A.; Iribarne, Federico

2016-08-01

4p/2p dual-doped monolayer and bilayer graphene were studied via first principle calculations. Generally, dopants prefer to be agglomerated. A second dopant significantly reduces formation energies. Thus, partially reduced graphene oxide would favor substitutional doping by facilitating the introduction of the 4p dopants. Dual-doping can tune the band gap from 0.1 to 0.8 eV. For bilayer graphene, large atomic radii elements (Gallium and Germanium) form interlayer bonds with the undoped sheet. For some dual-doped graphenes, interlayer GaC and GeC bonds were formed, increasing the chemical reactivity of the undoped layer and affecting its electronic structure, with metallic or semiconducting characters observed.

Packing of poly(tetrafluoroethylene) in the liquid state: Molecular dynamics simulation and theory

NASA Astrophysics Data System (ADS)

Tsige, Mesfin; Curro, John G.; Grest, Gary S.

2008-12-01

Molecular dynamics simulations and polymer reference interaction site model theory calculations were carried out on the C48F98 oligomer of poly(tetrafluoroethylene) (PTFE) at 500 and 600 K. The exp-6 force field of Borodin, Smith, and Bedrov, was used in both the simulation and theory. The agreement between theory and simulation was equivalent to earlier studies on polyolefin melts. The intermolecular pair correlation functions of PTFE were shifted to larger distances relative to polyethylene (PE) due to the difference in the van der Waals radii of F and H atoms. A similar shift to lower wave vectors was found in the structure factor of PTFE relative to PE.

Local structure and polarization resistance of Ce doped SrMnO{sub 3} using extended x-ray fine structure analysis

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

Ryu, Jiseung; Lee, Heesoo, E-mail: heesoo@pusan.ac.kr

2014-09-15

Changes to the local structure of Sr and Mn atoms in Sr{sub 1−x}Ce{sub x}MnO{sub 3} (SCM) according to increasing Ce content and the effect of the structural change on the polarization resistance of SCM were investigated. The reduction of manganese was confirmed by the absorption edge shift of the Mn K-edge toward lower energies. The noise of oscillation in extended X-ray absorption fine structure k{sup 3}χ data at Mn K-edge reveals the distortion of the local structure of Mn atoms, and the peak that indicates the bonding length of Mn-O, Sr/Ce, and -Mn decreased with the addition of Ce contentmore » in Fourier transformations of the Mn K-edge. The distortion of the local structure at Mn atoms was affected by the reduced manganese ions having larger ionic radii than Mn{sup 4+}. Meanwhile, few distortions of local atomic structures of Sr atoms occurred, and the average nearest neighboring distances of Sr-O and Sr-Mn are ∼2.13 Å and ∼2.95 Å, respectively. The average bonding lengths of the Ce-O and Ce-Mn increased because the ionic radius of substituted Ce ion with 12 coordination number is smaller than that of Sr ion, which leads the reduction of Mn ions and the distortion of local structure at the substituted A-site. Therefore, we reasoned that the distortion of the local atomic structure at Mn atoms in MnO{sub 6} and Ce atoms in A-site is one of the causes for interrupting oxygen ion transfers as a geometric factor, which results in an increase in the polarization resistance of SCM within the Ce composition range from 10 mol. % to 30 mol. %.« less

Three regimes of extrasolar planet radius inferred from host star metallicities.

PubMed

Buchhave, Lars A; Bizzarro, Martin; Latham, David W; Sasselov, Dimitar; Cochran, William D; Endl, Michael; Isaacson, Howard; Juncher, Diana; Marcy, Geoffrey W

2014-05-29

Approximately half of the extrasolar planets (exoplanets) with radii less than four Earth radii are in orbits with short periods. Despite their sheer abundance, the compositions of such planets are largely unknown. The available evidence suggests that they range in composition from small, high-density rocky planets to low-density planets consisting of rocky cores surrounded by thick hydrogen and helium gas envelopes. Here we report the metallicities (that is, the abundances of elements heavier than hydrogen and helium) of more than 400 stars hosting 600 exoplanet candidates, and find that the exoplanets can be categorized into three populations defined by statistically distinct (∼4.5σ) metallicity regions. We interpret these regions as reflecting the formation regimes of terrestrial-like planets (radii less than 1.7 Earth radii), gas dwarf planets with rocky cores and hydrogen-helium envelopes (radii between 1.7 and 3.9 Earth radii) and ice or gas giant planets (radii greater than 3.9 Earth radii). These transitions correspond well with those inferred from dynamical mass estimates, implying that host star metallicity, which is a proxy for the initial solids inventory of the protoplanetary disk, is a key ingredient regulating the structure of planetary systems.

Three regimes of extrasolar planet radius inferred from host star metallicities

PubMed Central

Buchhave, Lars A.; Bizzarro, Martin; Latham, David W.; Sasselov, Dimitar; Cochran, William D.; Endl, Michael; Isaacson, Howard; Juncher, Diana; Marcy, Geoffrey W.

2014-01-01

Approximately half of the extrasolar planets (exoplanets) with radii less than four Earth radii are in orbits with short periods1. Despite their sheer abundance, the compositions of such planets are largely unknown. The available evidence suggests that they range in composition from small, high-density rocky planets to low-density planets consisting of rocky cores surrounded by thick hydrogen and helium gas envelopes. Here we report the metallicities (that is, the abundances of elements heavier than hydrogen and helium) of more than 400 stars hosting 600 exoplanet candidates, and find that the exoplanets can be categorized into three populations defined by statistically distinct (~4.5σ) metallicity regions. We interpret these regions as reflecting the formation regimes of terrestrial-like planets (radii less than 1.7 Earth radii), gas dwarf planets with rocky cores and hydrogen-helium envelopes (radii between 1.7 and 3.9 Earth radii) and ice or gas giant planets (radii greater than 3.9 Earth radii). These transitions correspond well with those inferred from dynamical mass estimates2,3, implying that host star metallicity, which is a proxy for the initial solids inventory of the protoplanetary disk, is a key ingredient regulating the structure of planetary systems. PMID:24870544

Near-Atomic Three-Dimensional Mapping for Site-Specific Chemistry of 'Superbugs'.

PubMed

Adineh, Vahid R; Marceau, Ross K W; Velkov, Tony; Li, Jian; Fu, Jing

2016-11-09

Emergence of multidrug resistant Gram-negative bacteria has caused a global health crisis and last-line class of antibiotics such as polymyxins are increasingly used. The chemical composition at the cell surface plays a key role in antibiotic resistance. Unlike imaging the cellular ultrastructure with well-developed electron microscopy, the acquisition of a high-resolution chemical map of the bacterial surface still remains a technological challenge. In this study, we developed an atom probe tomography (APT) analysis approach to acquire mass spectra in the pulsed-voltage mode and reconstructed the 3D chemical distribution of atoms and molecules in the subcellular domain at the near-atomic scale. Using focused ion beam (FIB) milling together with micromanipulation, site-specific samples were retrieved from a single cell of Acinetobacter baumannii prepared as needle-shaped tips with end radii less than 60 nm, followed by a nanoscale coating of silver in the order of 10 nm. The significantly elevated conductivity provided by the metallic coating enabled successful and routine field evaporation of the biological material, with all the benefits of pulsed-voltage APT. In parallel with conventional cryo-TEM imaging, our novel approach was applied to investigate polymyxin-susceptible and -resistant strains of A. baumannii after treatment of polymyxin B. Acquired atom probe mass spectra from the cell envelope revealed characteristic fragments of phosphocholine from the polymyxin-susceptible strain, but limited signals from this molecule were detected in the polymyxin-resistant strain. This study promises unprecedented capacity for 3D nanoscale imaging and chemical mapping of bacterial cells at the ultimate 3D spatial resolution using APT.

Bolt beam propagation analysis

NASA Astrophysics Data System (ADS)

Shokair, I. R.

BOLT (Beam on Laser Technology) is a rocket experiment to demonstrate electron beam propagation on a laser ionized plasma channel across the geomagnetic field in the ion focused regime (IFR). The beam parameters for BOLT are: beam current I(sub b) = 100 Amps, beam energy of 1--1.5 MeV (gamma =3-4), and a Gaussian beam and channel of radii r(sub b) = r(sub c) = 1.5 cm. The N+1 ionization scheme is used to ionize atomic oxygen in the upper atmosphere. This scheme utilizes 130 nm light plus three IR lasers to excite and then ionize atomic oxygen. The limiting factor for the channel strength is the energy of the 130 nm laser, which is assumed to be 1.6 mJ for BOLT. At a fixed laser energy and altitude (fixing the density of atomic oxygen), the range can be varied by adjusting the laser tuning, resulting in a neutralization fraction axial profile of the form: f(z) = f(sub 0) e(exp minus z)/R, where R is the range. In this paper we consider the propagation of the BOLT beam and calculate the range of the electron beam taking into account the fact that the erosion rates (magnetic and inductive) vary with beam length as the beam and channel dynamically respond to sausage and hose instabilities.

(Tris{2-[(5-chloro-2-oxido­benzyl­idene-κO)amino-κN]eth­yl}amine-κN)­ytterbium(III): crystal structure and Hirshfeld surface analysis

PubMed Central

Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T.

2016-01-01

The YbIII atom in the title complex, [Yb(C27H24Cl3N4O3)] [systematic name: (2,2′,2′′-{(nitrilo)­tris­[ethane-2,1-di­yl(nitrilo)­methylyl­idene]}tris­(4-chloro­phenolato)ytterbium(III)], is coordinated by a trinegative, hepta­dentate ligand and exists within an N4O3 donor set, which defines a capped octa­hedral geometry whereby the amine N atom caps the triangular face defined by the three imine N atoms. The packing features supra­molecular layers that stack along the a axis, sustained by a combination of aryl-C—H⋯O, imine-C—H⋯O, methyl­ene-C—H⋯π(ar­yl) and end-on C—Cl⋯π(ar­yl) inter­actions. A Hirshfeld surface analysis points to the major contributions of C⋯H/ H⋯C and Cl⋯H/H⋯Cl inter­actions (along with H⋯H) to the overall surface but the Cl⋯H contacts are at distances greater than the sum of their van der Waals radii. PMID:27746926

The Observational and Theoretical Tidal Radii of Globular Clusters in M87

NASA Astrophysics Data System (ADS)

Webb, Jeremy J.; Sills, Alison; Harris, William E.

2012-02-01

Globular clusters have linear sizes (tidal radii) which theory tells us are determined by their masses and by the gravitational potential of their host galaxy. To explore the relationship between observed and expected radii, we utilize the globular cluster population of the Virgo giant M87. Unusually deep, high signal-to-noise images of M87 are used to measure the effective and limiting radii of approximately 2000 globular clusters. To compare with these observations, we simulate a globular cluster population that has the same characteristics as the observed M87 cluster population. Placing these simulated clusters in the well-studied tidal field of M87, the orbit of each cluster is solved and the theoretical tidal radius of each cluster is determined. We compare the predicted relationship between cluster size and projected galactocentric distance to observations. We find that for an isotropic distribution of cluster velocities, theoretical tidal radii are approximately equal to observed limiting radii for R gc < 10 kpc. However, the isotropic simulation predicts a steep increase in cluster size at larger radii, which is not observed in large galaxies beyond the Milky Way. To minimize the discrepancy between theory and observations, we explore the effects of orbital anisotropy on cluster sizes, and suggest a possible orbital anisotropy profile for M87 which yields a better match between theory and observations. Finally, we suggest future studies which will establish a stronger link between theoretical tidal radii and observed radii.

Single-crystal diffraction at megabar conditions by synchrotron radiation

NASA Astrophysics Data System (ADS)

Merlini, Marco; Hanfland, Michael

2013-08-01

Crystal structure determination at extreme pressures is currently possible at synchrotron beamlines optimized for such a purpose. We report the description of the experimental setup available at European Synchrotron Radiation Facility ID09 beamline (Grenoble, France) and, with two examples, we illustrate the state-of-the-art experiments currently performed at third-generation synchrotrons. The first example concerns the determination of the equation of state and the structural behavior of low-spin Fe-bearing siderite in the megabar pressure range. Siderite, in fact, undergoes a first-order isosymmetric transition at 45 GPa, and, above this pressure, it features Fe2+ in electronic low-spin configuration. The local configuration of Fe coordination polyhedra, determined by structural refinements, significantly deviates from a regular octahedron. Nevertheless, no further structural transition is detected up to the maximum pressure reached in our experiments, 135 GPa. The analysis of the Fe-O bond length extrapolated to ambient pressure, which indicates that the difference in ionic radii between the high- and the low-spin state of Fe2+ is 0.172 Å, in excellent agreement with the tabulated data by Shannon and Prewitt [Effective ionic radii in oxides and fluorides. Acta Crystallogr. 1969;B25:925-946]. The second example concerns the determination and refinement of the oP8 structure adopted by sodium in the pressure interval 118-125 GPa, using an experimental dataset collected at 118 GPa. The orthorhombic [a=4.7687(15) Å, b=3.0150(6) Å, c=5.2423(7) Å, V=75.4(3) Å3] oP8 structure is topologically related to the MnP structure, with two non-equivalent atoms in the unit cell. Despite the weak scattering factor of Na atoms, the quality of the data also allows meaningful displacement parameters refinements (R1=4.6%, 14 parameters, 190 diffractions, and 105 unique) demonstrating that the current accuracy of diffraction data at extreme pressures can be comparable with ambient condition measurements.

The magnetic field of the equatorial magnetotail - AMPTE/CCE observations at R less than 8.8 earth radii

NASA Technical Reports Server (NTRS)

Fairfield, D. H.; Acuna, M. H.; Zanetti, L. J.; Potemra, T. A.

1987-01-01

The MPTE/CCE magnetic field experiment has been used to obtain a quantitative evaluation of the frequency and extent of magnetic field distortion in the near-tail region at less than 8.8 earth radii. The variation of this distortion with Kp, radial distance, longitude, and near-equatorial latitude is reported. It has been found that taillike distortions from the dipole field direction may reach 80 deg near the MPTE/CE apogee of 8.8 earth radii. The Bz field component in dipole coordinates was always positive within 0.5 earth radii of the equatorial current sheet, indicating the neutral lines were never seen inside of 8.8 earth radii. Fields were most taillike near midnight and during times of high Kp. At 8.5 earth radii the equatorial field magnitude depressions were roughly half the dipole field strength of 51 nT. These depressions are larger at lesser distances, reaching -40 nT at 3.4 earth radii for Kp of 2- or less and -80 nT and Kp of 3+ and greater.

[Effect of Radii barrier sleeves on cure depth of composite resin].

PubMed

Wang, Binping; DU, Yongxiu

2009-01-01

To explore the effect of Radii barrier sleeves on the cure depth of composite resin. Cylinder mold was prepared, and the resin was filled strictly into the mold. The surface was flattened and then cured with plastic engraver's knife.The depth of composite resin which was cured by QHL75TM with or without Radii barrier sleeves was compared. The cure depth of composite resin which were cured by QHL75TM with or without Radii barrier sleeves of photo-curing machine was 4.38 mm and 4.27 mm respectively,with no statistical difference. The cure depth of composite resin is not influenced by Radii barrier sleeves under the same light condition.

Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations

PubMed Central

Yu, Hang; Schulten, Klaus

2013-01-01

Interplay between cellular membranes and their peripheral proteins drives many processes in eukaryotic cells. Proteins of the Bin/Amphiphysin/Rvs (BAR) domain family, in particular, play a role in cellular morphogenesis, for example curving planar membranes into tubular membranes. However, it is still unclear how F-BAR domain proteins act on membranes. Electron microscopy revealed that, in vitro, F-BAR proteins form regular lattices on cylindrically deformed membrane surfaces. Using all-atom and coarse-grained (CG) molecular dynamics simulations, we show that such lattices, indeed, induce tubes of observed radii. A 250 ns all-atom simulation reveals that F-BAR domain curves membranes via the so-called scaffolding mechanism. Plasticity of the F-BAR domain permits conformational change in response to membrane interaction, via partial unwinding of the domains 3-helix bundle structure. A CG simulation covering more than 350 µs provides a dynamic picture of membrane tubulation by lattices of F-BAR domains. A series of CG simulations identified the optimal lattice type for membrane sculpting, which matches closely the lattices seen through cryo-electron microscopy. PMID:23382665

Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United Atom Force Field.

DOE PAGES

Goliaei, Ardeshir; Lau, Edmond Y.; Adhikari, Upendra; ...

2016-05-27

To study the interaction between poloxamer molecules and lipid bilayers using molecular dynamics simulation technique with the united atom resolution, we augmented the GROMOS force field to include poloxamers. We validated the force field by calculating the radii of gyration of two poloxamers, P85 and P188, solvated in water and by considering the poloxamer density distributions at the air/water interface. The emphasis of our simulations was on the study of the interaction between poloxamers and lipid bilayer. At the water/lipid bilayer interface, we observed that both poloxamers studied, P85 and P188, behaved like surfactants: the hydrophilic blocks of poloxamers becamemore » adsorbed at the polar interface, while their hydrophobic block penetrated the interface into the aliphatic tail region of the lipid bilayer. We also observed that when P85 and P188 poloxamers interacted with damaged membranes that contained pores, the hydrophobic blocks of copolymers penetrated into the membrane in the vicinity of the pore and compressed the membrane. Lastly, due to this compression, water molecules were evacuated from the pore.« less

Constraints on the origin of the Moon's atmosphere from observations during a lunar eclipse.

PubMed

Mendillo, M; Baumgardner, J

1995-10-05

The properties of the Moon's rarefied atmosphere, which can be traced through observations of sodium and potassium, provide important insights into the formation and maintenance of atmospheres on other primitive Solar System bodies. The lunar atmosphere is believed to be composed of atoms from the surface rocks and soil, which might have been sputtered by micrometeorites, by ions in the solar wind, or by photons. It might also form by the evaporation of atoms from the hot, illuminated surface. Here we report the detection of sodium emission from the Moon's atmosphere during a total lunar eclipse (which occurs when the Moon is full). The sodium atmosphere is considerably more extended at full Moon than expected--it extends to at least nine lunar radii--and its brightness distribution is incompatible with sources involving either solar-wind or micrometeorite sputtering. This leaves photon sputtering or thermal desorption as the preferred explanations for the lunar atmosphere, and suggests that sunlight might also be responsible for the transient atmospheres of other primitive bodies (such as Mercury).

Boundary-value problem for plasma centrifuge at arbitrary magnetic Reynolds numbers

NASA Technical Reports Server (NTRS)

Wilhelm, H. E.; Hong, S. H.

1977-01-01

We solve in closed form the boundary-value problem for the partial differential equations which describe the (azimuthal) rotation velocity and induced magnetic fields in a cylindrical plasma centrifuge with ring electrodes of different radii and an external, axial magnetic field. The electric field, current density, and velocity distributions are discussed in terms of the Hartmann number H and the magnetic Reynolds number R. For small Hall coefficients, the induced magnetic field does not affect the plasma rotation. As a result of the Lorentz forces, the plasma rotates with speeds as high as 100,000 cm/sec around its axis of symmetry at typical conditions, so that the lighter (heavier) ion and atom components are enriched at (off) the center of the discharge cylinder.

Recovery of gold from electronic waste using chemical assisted microbial biosorption (hybrid) technique.

PubMed

Sheel, Anvita; Pant, Deepak

2018-01-01

The aim of present study was to develop a modified method of gold recovery from e-waste. Selective biosorption of gold from contact point of printed circuit board was achieved by using the combination of ammonium thiosulfate (AT) and Lactobacillus acidophilus (LA).Improvement in biosorption was due to the π-π interaction and resultant change in amide absorption bond between AT and LA, as evidenced by infrared spectroscopy. Selection was justified by some basic postulates of ionic radii and confirmed by inductively coupled plasma atomic emission spectroscopy. This methodology provides a unique leaching-sorption method for gold recovery and 85% of gold was recovered (from AT leachant) by the proposed combination. Copyright © 2017 Elsevier Ltd. All rights reserved.

Observational Progress in Identifying and Characterizing Tidal Disruption Flares

NASA Astrophysics Data System (ADS)

Cenko, S. Bradley

I present an overview of observational efforts across the electromagnetic spectrum to identify and study tidal disruption flares (TDFs), when a star wanders too close to a super-massive black hole and is torn apart by tidal forces. In particular I will focus on four unexpected surprises that challenge the most basic analytic picture of these events: 1) large inferred radii for the optical/UV-emitting material; 2) the ubiquity of outflows, detected at radio, X-ray, and UV wavelengths, ranging from speeds of 100 km/s to near the speed of light; 3) the peculiar atomic abundances observed in the UV and optical spectra of these objects; and, 4) the preference for these events to occur in post-starburst galaxies.

Centrality dependence of pion freeze-out radii in Pb-Pb collisions at √{sN N}=2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaraz, J. R. M.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blair, J. T.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Chunhui, Z.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; di Bari, D.; di Mauro, A.; di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacobs, P. M.; Jadlovska, S.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, A.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lehas, F.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Luz, P. H. F. N. D.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Masui, H.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; McDonald, D.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moreira de Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papcun, P.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Peitzmann, T.; Pereira da Costa, H.; Pereira de Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, M.; Sharma, M.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yang, H.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.; Alice Collaboration

2016-02-01

We report on the measurement of freeze-out radii for pairs of identical-charge pions measured in Pb-Pb collisions at √{sNN}=2.76 TeV as a function of collision centrality and the average transverse momentum of the pair kT. Three-dimensional sizes of the system (femtoscopic radii), as well as direction-averaged one-dimensional radii are extracted. The radii decrease with kT, following a power-law behavior. This is qualitatively consistent with expectations from a collectively expanding system, produced in hydrodynamic calculations. The radii also scale linearly with 1 /3. This behavior is compared to world data on femtoscopic radii in heavy-ion collisions. While the dependence is qualitatively similar to results at smaller √{sNN}, a decrease in the ratio Rout/Rside is seen, which is in qualitative agreement with a specific prediction from hydrodynamic models: a change from inside-out to outside-in freeze-out configuration. The results provide further evidence for the production of a collective, strongly coupled system in heavy-ion collisions at the CERN Large Hadron Collider.

Centrality dependence of pion freeze-out radii in Pb-Pb collisions at s N N = 2.76  TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2016-02-04

Here, we report on the measurement of freeze-out radii for pairs of identical-charge pions measured in Pb-Pb collisions at √s NN = 2.76 TeV as a function of collision centrality and the average transverse momentum of the pair k T. Three-dimensional sizes of the system (femtoscopic radii), as well as direction-averaged one-dimensional radii are extracted. The radii decrease with k T, following a power-law behavior. This is qualitatively consistent with expectations from a collectively expanding system, produced in hydrodynamic calculations. The radii also scale linearly with < dN ch/d η > 1/3. We compare this behavior to world data onmore » femtoscopic radii in heavy-ion collisions. While the dependence is qualitatively similar to results at smaller √s NN, a decrease in the ratio R out/R side is seen, which is in qualitative agreement with a specific prediction from hydrodynamic models: a change from inside-out to outside-in freeze-out configuration. Furthermore, these results provide further evidence for the production of a collective, strongly coupled system in heavy-ion collisions at the CERN Large Hadron Collider.« less

Identifying Nearby Galaxy Outliers Using Neutral Hydrogen Scaling Relations

NASA Astrophysics Data System (ADS)

Mohammed, Steven; Schiminovich, D.

2013-01-01

Galaxies appear to be divided into two distinct families: blue, star-forming, gas-rich, spiral galaxies and red, gas-deficient, elliptical galaxies. However, the transition between these two families is not well understood. A galaxy's gas content could be a good indicator of processes that affect this transition. We assembled a catalog of physical properties for 535 nearby massive galaxies (redshifts 0.025 < z < 0.05; stellar masses M* > 108 solar masses) from various existing surveys to examine their neutral hydrogen (HI) gas content. We obtained HI data (e.g., HI masses and HI radii) from several surveys; other properties (e.g., stellar masses, light radii and star formation rates) were derived from the Sloan Digital Sky Survey (SDSS) and the Galaxy Evolution Explorer (GALEX). Our goal is to identify any outliers from scaling relations derived from galaxies in the GALEX Arecibo SDSS Survey (GASS) in hope that these outliers can provide us with insight into processes relevant to the blue-to-red-galaxy transition. Results indicate that our heterogeneous selection yields a sample that shows similar scaling relations as the GASS galaxies. For example, the atomic HI gas fraction (MHI/M*) decreases strongly as both stellar mass and stellar mass surface density increase. Here, we show recent work that investigates the HI distribution maps of our galaxies to identify environmental effects that might cause outliers to exist.

Systematic study of charged-pion and kaon femtoscopy in Au + Au collisions at √{sNN}=200 GeV

NASA Astrophysics Data System (ADS)

Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Al-Bataineh, H.; Alexander, J.; Alfred, M.; Aoki, K.; Apadula, N.; Aramaki, Y.; Asano, H.; Atomssa, E. T.; Averbeck, R.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Baksay, G.; Baksay, L.; Bandara, N. S.; Bannier, B.; Barish, K. N.; Bassalleck, B.; Basye, A. T.; Bathe, S.; Baublis, V.; Baumann, C.; Bazilevsky, A.; Beaumier, M.; Beckman, S.; Belikov, S.; Belmont, R.; Bennett, R.; Berdnikov, A.; Berdnikov, Y.; Bickley, A. A.; Blau, D. S.; Bok, J. S.; Boyle, K.; Brooks, M. L.; Bryslawskyj, J.; Buesching, H.; Bumazhnov, V.; Bunce, G.; Butsyk, S.; Camacho, C. M.; Campbell, S.; Chen, C.-H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chung, P.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Connors, M.; Constantin, P.; Csanád, M.; Csörgő, T.; Dahms, T.; Dairaku, S.; Danchev, I.; Danley, D.; Das, K.; Datta, A.; Daugherity, M. S.; David, G.; Deblasio, K.; Dehmelt, K.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Dietzsch, O.; Dion, A.; Diss, P. B.; Do, J. H.; Donadelli, M.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; Dutta, D.; Edwards, S.; Efremenko, Y. V.; Ellinghaus, F.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Fadem, B.; Feege, N.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Fraenkel, Z.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fujiwara, K.; Fukao, Y.; Fusayasu, T.; Gal, C.; Gallus, P.; Garg, P.; Garishvili, I.; Ge, H.; Giordano, F.; Glenn, A.; Gong, H.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gunji, T.; Gustafsson, H.-Å.; Hachiya, T.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Hamblen, J.; Hamilton, H. F.; Han, R.; Han, S. Y.; Hanks, J.; Hartouni, E. P.; Hasegawa, S.; Haseler, T. O. S.; Hashimoto, K.; Haslum, E.; Hayano, R.; He, X.; Heffner, M.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hohlmann, M.; Hollis, R. S.; Holzmann, W.; Homma, K.; Hong, B.; Horaguchi, T.; Hornback, D.; Hoshino, T.; Hotvedt, N.; Huang, J.; Huang, S.; Ichihara, T.; Ichimiya, R.; Ide, J.; Ikeda, Y.; Imai, K.; Inaba, M.; Iordanova, A.; Isenhower, D.; Ishihara, M.; Isobe, T.; Issah, M.; Isupov, A.; Ivanishchev, D.; Jacak, B. V.; Jezghani, M.; Jia, J.; Jiang, X.; Jin, J.; Johnson, B. M.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kajihara, F.; Kametani, S.; Kamihara, N.; Kamin, J.; Kanda, S.; Kang, J. H.; Kapustinsky, J.; Karatsu, K.; Kawall, D.; Kawashima, M.; Kazantsev, A. V.; Kempel, T.; Key, J. A.; Khachatryan, V.; Khanzadeev, A.; Kijima, K. M.; Kim, B. I.; Kim, C.; Kim, D. H.; Kim, D. J.; Kim, E.; Kim, E.-J.; Kim, G. W.; Kim, M.; Kim, S. H.; Kim, Y.-J.; Kimelman, B.; Kinney, E.; Kiriluk, K.; Kiss, Á.; Kistenev, E.; Kitamura, R.; Klatsky, J.; Kleinjan, D.; Kline, P.; Koblesky, T.; Kochenda, L.; Komkov, B.; Konno, M.; Koster, J.; Kotchetkov, D.; Kotov, D.; Kozlov, A.; Král, A.; Kravitz, A.; Kunde, G. J.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, D. M.; Lee, J.; Lee, K.; Lee, K. B.; Lee, K. S.; Lee, S.; Lee, S. H.; Leitch, M. J.; Leite, M. A. L.; Leitner, E.; Lenzi, B.; Li, X.; Liebing, P.; Lim, S. H.; Linden Levy, L. A.; Liška, T.; Litvinenko, A.; Liu, H.; Liu, M. X.; Love, B.; Luechtenborg, R.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Makek, M.; Malakhov, A.; Malik, M. D.; Manion, A.; Manko, V. I.; Mannel, E.; Mao, Y.; Masui, H.; Matathias, F.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; McKinney, C.; Means, N.; Meles, A.; Mendoza, M.; Meredith, B.; Miake, Y.; Mignerey, A. C.; Mikeš, P.; Miki, K.; Milov, A.; Mishra, D. K.; Mishra, M.; Mitchell, J. T.; Miyasaka, S.; Mizuno, S.; Mohanty, A. K.; Montuenga, P.; Moon, T.; Morino, Y.; Morreale, A.; Morrison, D. P.; Moukhanova, T. V.; Murakami, T.; Murata, J.; Mwai, A.; Nagamiya, S.; Nagashima, K.; Nagle, J. L.; Naglis, M.; Nagy, M. I.; Nakagawa, I.; Nakagomi, H.; Nakamiya, Y.; Nakamura, T.; Nakano, K.; Nattrass, C.; Netrakanti, P. K.; Newby, J.; Nguyen, M.; Niida, T.; Nishimura, S.; Nouicer, R.; Novak, T.; Novitzky, N.; Nyanin, A. S.; O'Brien, E.; Oda, S. X.; Ogilvie, C. A.; Oka, M.; Okada, K.; Onuki, Y.; Orjuela Koop, J. D.; Osborn, J. D.; Oskarsson, A.; Ouchida, M.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, I. H.; Park, J.; Park, J. S.; Park, S.; Park, S. K.; Park, W. J.; Pate, S. F.; Patel, M.; Pei, H.; Peng, J.-C.; Pereira, H.; Perepelitsa, D. V.; Perera, G. D. N.; Peresedov, V.; Peressounko, D. Yu.; Perry, J.; Petti, R.; Pinkenburg, C.; Pinson, R.; Pisani, R. P.; Proissl, M.; Purschke, M. L.; Purwar, A. K.; Qu, H.; Rak, J.; Rakotozafindrabe, A.; Ramson, B. J.; Ravinovich, I.; Read, K. F.; Reygers, K.; Reynolds, D.; Riabov, V.; Riabov, Y.; Richardson, E.; Rinn, T.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Rosen, C. A.; Rosendahl, S. S. E.; Rosnet, P.; Rowan, Z.; Rubin, J. G.; Rukoyatkin, P.; Ružička, P.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sakashita, K.; Sako, H.; Samsonov, V.; Sano, S.; Sarsour, M.; Sato, S.; Sato, T.; Sawada, S.; Schaefer, B.; Schmoll, B. K.; Sedgwick, K.; Seele, J.; Seidl, R.; Semenov, A. Yu.; Sen, A.; Seto, R.; Sett, P.; Sexton, A.; Sharma, D.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Silvestre, C.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Slunečka, M.; Snowball, M.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Sourikova, I. V.; Sparks, N. A.; Stankus, P. W.; Stenlund, E.; Stepanov, M.; Stoll, S. P.; Sugitate, T.; Sukhanov, A.; Sumita, T.; Sun, J.; Sziklai, J.; Takagui, E. M.; Taketani, A.; Tanabe, R.; Tanaka, Y.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tarján, P.; Themann, H.; Thomas, T. L.; Tieulent, R.; Timilsina, A.; Todoroki, T.; Togawa, M.; Toia, A.; Tomášek, L.; Tomášek, M.; Torii, H.; Towell, C. L.; Towell, R.; Towell, R. S.; Tserruya, I.; Tsuchimoto, Y.; Vale, C.; Valle, H.; van Hecke, H. W.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Vinogradov, A. A.; Virius, M.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Watanabe, Y. S.; Wei, F.; Wei, R.; Wessels, J.; White, A. S.; White, S. N.; Winter, D.; Wood, J. P.; Woody, C. L.; Wright, R. M.; Wysocki, M.; Xia, B.; Xie, W.; Xue, L.; Yalcin, S.; Yamaguchi, Y. L.; Yamaura, K.; Yang, R.; Yanovich, A.; Ying, J.; Yokkaichi, S.; Yoo, J. H.; Yoon, I.; You, Z.; Young, G. R.; Younus, I.; Yu, H.; Yushmanov, I. E.; Zajc, W. A.; Zelenski, A.; Zhang, C.; Zhou, S.; Zolin, L.; Zou, L.; Phenix Collaboration

2015-09-01

We present a systematic study of charged-pion and kaon interferometry in Au +Au collisions at √{s NN}=200 GeV. The kaon mean source radii are found to be larger than pion radii in the outward and longitudinal directions for the same transverse mass; this difference increases for more central collisions. The azimuthal-angle dependence of the radii was measured with respect to the second-order event plane and similar oscillations of the source radii were found for pions and kaons. Hydrodynamic models qualitatively describe the similar oscillations of the mean source radii for pions and kaons, but they do not fully describe the transverse-mass dependence of the oscillations.

Responses of articular and epiphyseal cartilage zones of developing avian radii to estrone treatment and a 2-G environment

NASA Technical Reports Server (NTRS)

Negulesco, J. A.; Kossler, T.

1978-01-01

Histological measurements of radii from chickens exposed to estrone and hypergravity are reported. Female chicks at two weeks post-hatch were maintained for two weeks at earth gravity or 2 G with daily injections of 0.2 or 0.4 mg estrone. Animals were sacrificed after the last injection, and the radii were processed by described histological techniques. The results suggest that proximal and distal epiphyses of developing radii show different morphological responses to estrone and hypergravity.

Systematic study of charged-pion and kaon femtoscopy in Au+Au collisions at √s NN = 200 GeV

DOE PAGES

Adare, A.

2015-09-23

We present a systematic study of charged pion and kaon interferometry in Au+Au collisions at √s NN=200 GeV. The kaon mean source radii are found to be larger than pion radii in the outward and longitudinal directions for the same transverse mass; this difference increases for more central collisions. The azimuthal-angle dependence of the radii was measured with respect to the second-order event plane and similar oscillations of the source radii were found for pions and kaons. Hydrodynamic models qualitatively describe the similar oscillations of the mean source radii for pions and kaons, but they do not fully describe themore » transverse-mass dependence of the oscillations.« less

Electron Beam-Induced Deposition for Atom Probe Tomography Specimen Capping Layers.

PubMed

Diercks, David R; Gorman, Brian P; Mulders, Johannes J L

2017-04-01

Six precursors were evaluated for use as in situ electron beam-induced deposition capping layers in the preparation of atom probe tomography specimens with a focus on near-surface features where some of the deposition is retained at the specimen apex. Specimens were prepared by deposition of each precursor onto silicon posts and shaped into sub-70-nm radii needles using a focused ion beam. The utility of the depositions was assessed using several criteria including composition and uniformity, evaporation behavior and evaporation fields, and depth of Ga+ ion penetration. Atom probe analyses through depositions of methyl cyclopentadienyl platinum trimethyl, palladium hexafluoroacetylacetonate, and dimethyl-gold-acetylacetonate [Me2Au(acac)] were all found to result in tip fracture at voltages exceeding 3 kV. Examination of the deposition using Me2Au(acac) plus flowing O2 was inconclusive due to evaporation of surface silicon from below the deposition under all analysis conditions. Dicobalt octacarbonyl [Co2(CO)8] and diiron nonacarbonyl [Fe2(CO)9] depositions were found to be effective as in situ capping materials for the silicon specimens. Their very different evaporation fields [36 V/nm for Co2(CO)8 and 21 V/nm for Fe2(CO)9] provide options for achieving reasonably close matching of the evaporation field between the capping material and many materials of interest.

Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.

PubMed

Zhang, Baofeng; Kilburg, Denise; Eastman, Peter; Pande, Vijay S; Gallicchio, Emilio

2017-04-15

We present an algorithm to efficiently compute accurate volumes and surface areas of macromolecules on graphical processing unit (GPU) devices using an analytic model which represents atomic volumes by continuous Gaussian densities. The volume of the molecule is expressed by means of the inclusion-exclusion formula, which is based on the summation of overlap integrals among multiple atomic densities. The surface area of the molecule is obtained by differentiation of the molecular volume with respect to atomic radii. The many-body nature of the model makes a port to GPU devices challenging. To our knowledge, this is the first reported full implementation of this model on GPU hardware. To accomplish this, we have used recursive strategies to construct the tree of overlaps and to accumulate volumes and their gradients on the tree data structures so as to minimize memory contention. The algorithm is used in the formulation of a surface area-based non-polar implicit solvent model implemented as an open source plug-in (named GaussVol) for the popular OpenMM library for molecular mechanics modeling. GaussVol is 50 to 100 times faster than our best optimized implementation for the CPUs, achieving speeds in excess of 100 ns/day with 1 fs time-step for protein-sized systems on commodity GPUs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell.

PubMed

Bodo, Enrico

2015-09-03

By using ab initio molecular dynamics, we investigate the solvent shell structure of La(3+) and Lu(3+) ions immersed in two ionic liquids, ethylammonium nitrate (EAN) and its hydroxy derivative (2-ethanolammonium nitrate, HOEAN). We provide the first study of the coordination properties of these heavy metal ions in such a highly charged nonacqueous environment. We find, as expected, that the coordination in the liquid is mainly due to nitrate anions and that, due to the bidentate nature of the ligand, the complexation shell of the central ion has a nontrivial geometry and a coordination number in terms of nitrate molecules that apparently violates the decrease of ionic radii along the lanthanides series, since the smaller Lu(3+) ion seems to coordinate six nitrate molecules and the La(3+) ion only five. A closer inspection of the structural features obtained from our calculations shows, instead, that the first shell of oxygen atoms is more compact for Lu(3+) than for La(3+) and that the former coordinates 8 oxygen atoms while the latter 10 in accord with the typical lanthanide's trend along the series and that their first solvation shells have a slight irregular and complex geometrical pattern. When moving to the HOEAN solutions, we have found that the solvation of the central ion is possibly also due to the cation itself through the oxygen atom on the side chain. Also, in this liquid, the coordination numbers in terms of oxygen atoms in both solvents is 10 for La(3+) and 8 for Lu(3+).

Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten

NASA Astrophysics Data System (ADS)

Zhou, Y. L.; Wang, J.; Hou, Q.; Deng, A. H.

2014-03-01

Molecular dynamics (MD) simulations are performed on the diffusion and coalescence of helium in tungsten. A new method for determining the effective capture radii (ECRs) and the dissociation energies of helium-related defects is proposed in this work. It is observed that the ECR of an interstitial helium atom trapping helium interstitials (denoted as He-Hen, n = 1-3) decreases with increasing temperature, except for He-He2 at T < 400 K. The traditional view that the ECR is approximately equal to the lattice constant, which has been widely used in kinetic Monte Carlo (KMC) and rate theory (RT) models, is only valid in some cases. However, the ECR between an interstitial helium atom and a substitutional helium atom (denoted as He-HeV) always approximates the third nearest-neighbor tetrahedral positions of the HeV. The diffusion coefficients Dn for helium clusters are also investigated. He2 migrates more quickly than a single He atom does at T < 400 K, whereas the diffusion path of He2 changes at higher temperatures. Another counterintuitive observation is that D5 > D3 > D4 at T < 500 K, which can be attributed to the disordered structure of He5. The Arrhenius relation describes the diffusion of Hen well in the temperature range from 300 K to 550 K, whereas the diffusion is not a standard thermally activated process at higher temperatures. Taken together, these results help elucidate the initial stage of helium bubble formation in tungsten as well as the requirements of long-term evolution methods such as KMC or RT models.

Mapping Hydrophobicity on the Protein Molecular Surface at Atom-Level Resolution

PubMed Central

Nicolau Jr., Dan V.; Paszek, Ewa; Fulga, Florin; Nicolau, Dan V.

2014-01-01

A precise representation of the spatial distribution of hydrophobicity, hydrophilicity and charges on the molecular surface of proteins is critical for the understanding of the interaction with small molecules and larger systems. The representation of hydrophobicity is rarely done at atom-level, as this property is generally assigned to residues. A new methodology for the derivation of atomic hydrophobicity from any amino acid-based hydrophobicity scale was used to derive 8 sets of atomic hydrophobicities, one of which was used to generate the molecular surfaces for 35 proteins with convex structures, 5 of which, i.e., lysozyme, ribonuclease, hemoglobin, albumin and IgG, have been analyzed in more detail. Sets of the molecular surfaces of the model proteins have been constructed using spherical probes with increasingly large radii, from 1.4 to 20 Å, followed by the quantification of (i) the surface hydrophobicity; (ii) their respective molecular surface areas, i.e., total, hydrophilic and hydrophobic area; and (iii) their relative densities, i.e., divided by the total molecular area; or specific densities, i.e., divided by property-specific area. Compared with the amino acid-based formalism, the atom-level description reveals molecular surfaces which (i) present an approximately two times more hydrophilic areas; with (ii) less extended, but between 2 to 5 times more intense hydrophilic patches; and (iii) 3 to 20 times more extended hydrophobic areas. The hydrophobic areas are also approximately 2 times more hydrophobicity-intense. This, more pronounced “leopard skin”-like, design of the protein molecular surface has been confirmed by comparing the results for a restricted set of homologous proteins, i.e., hemoglobins diverging by only one residue (Trp37). These results suggest that the representation of hydrophobicity on the protein molecular surfaces at atom-level resolution, coupled with the probing of the molecular surface at different geometric resolutions, can capture processes that are otherwise obscured to the amino acid-based formalism. PMID:25462574

A formulation of convection for stellar structure and evolution calculations without the mixing-length theory approximations. II - Application to Alpha Centauri A and B

NASA Technical Reports Server (NTRS)

Lydon, Thomas J.; Fox, Peter A.; Sofia, Sabatino

1993-01-01

We have constructed a series of models of Alpha Centauri A and Alpha Centauri B for the purposes of testing the effects of convection modeling both by means of the mixing-length theory (MLT), and by means of parameterization of energy fluxes based upon numerical simulations of turbulent compressible convection. We demonstrate that while MLT, through its adjustable parameter alpha, can be used to match any given values of luminosities and radii, our treatment of convection, which lacks any adjustable parameters, makes specific predictions of stellar radii. Since the predicted radii of the Alpha Centauri system fall within the errors of the observed radii, our treatment of convection is applicable to other stars in the H-R diagram in addition to the sun. A second set of models is constructed using MLT, adjusting alpha to yield not the 'measured' radii but, instead, the radii predictions of our revised treatment of convection. We conclude by assessing the appropriateness of using a single value of alpha to model a wide variety of stars.

Average configuration of the distant (less than 220-earth-radii) magnetotail - Initial ISEE-3 magnetic field results

NASA Technical Reports Server (NTRS)

Slavin, J. A.; Tsurutani, B. T.; Smith, E. J.; Jones, D. E.; Sibeck, D. G.

1983-01-01

Magnetic field measurements from the first two passes of the ISEE-3 GEOTAIL Mission have been used to study the structure of the trans-lunar tail. Good agreement was found between the ISEE-3 magnetopause crossings and the Explorer 33, 35 model of Howe and Binsack (1972). Neutral sheet location was well ordered by the hinged current sheet models based upon near earth measurements. Between X = -20 and -120 earth radii the radius of the tail increases by about 30 percent while the lobe field strength decreases by approximately 60 percent. Beyond X = -100 to -1200 earth radii the tail diameter and lobe field magnitude become nearly constant at terminal values of approximately 60 earth radii and 9 nT, respectively. The distance at which the tail was observed to cease flaring, 100-120 earth radii, is in close agreement with the predictions of the analytic tail model of Coroniti and Kennel (1972). Overall, the findings of this study suggest that the magnetotail retains much of its near earth structure out to X = -220 earth radii.

Plasma etching of superconducting Niobium tips for scanning tunneling microscopy

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

Roychowdhury, A.; Center for Nanophysics and Advanced Materials, Department of Physics, University of Maryland, College Park, Maryland 20742; Dana, R.

We have developed a reproducible technique for the fabrication of sharp superconducting Nb tips for scanning tunneling microscopy (STM) and scanning tunneling spectroscopy. Sections of Nb wire with 250 μm diameter are dry etched in an SF₆ plasma in a Reactive Ion Etcher. The gas pressure, etching time, and applied power are chosen to control the ratio of isotropic to anisotropic etch rates and produce the desired tip shape. The resulting tips are atomically sharp, with radii of less than 100 nm, mechanically stable, and superconducting. They generate good STM images and spectroscopy on single crystal samples of Au(111), Au(100),more » and Nb(100), as well as a doped topological insulator Bi₂Se₃ at temperatures ranging from 30 mK to 9 K.« less

Observations of a Greenstein effect in the O I 1302A emission of Comet Halley

NASA Astrophysics Data System (ADS)

Dymond, K. F.; Feldman, P. D.; Woods, T. N.

1989-03-01

Far-ultraviolet spectra of Comet Halley (1986 III) were obtained on February 26, 1986, 17 days after perihelion, and on March 13, 1986, 13 hr before the Giotto encounter, using an imaging spectrograph aboard a sounding rocket. A sunward-antisunward asymmetry observed in the brightness distribution of the O I 1302A emission is a result of the differential Swings effect first discussed by Greenstein (1958) for Fraunhofer structure in the solar continuum. The mean velocity of the O atoms in the coma at cometocentric radii greater than 10,000 km was 2.2 + or - 0.8 km/s based on model calculations which incorporate the Greenstein effect. This velocity is consistent with H2O as the principal source of oxygen.

Isotope shifts from collinear laser spectroscopy of doubly charged yttrium isotopes

NASA Astrophysics Data System (ADS)

Vormawah, L. J.; Vilén, M.; Beerwerth, R.; Campbell, P.; Cheal, B.; Dicker, A.; Eronen, T.; Fritzsche, S.; Geldhof, S.; Jokinen, A.; Kelly, S.; Moore, I. D.; Reponen, M.; Rinta-Antila, S.; Stock, S. O.; Voss, A.

2018-04-01

Collinear laser spectroscopy has been performed on doubly charged ions of radioactive yttrium in order to study the isotope shifts of the 294.6-nm 5 s 1/2 2S →5 p 1/2 2P line. The potential of such an alkali-metal-like transition to improve the reliability of atomic-field-shift and mass-shift factor calculations, and hence the extraction of nuclear mean-square radii, is discussed. Production of yttrium ion beams for such studies is available at the IGISOL IV Accelerator Laboratory, Jyväskylä, Finland. This newly recommissioned facility is described here in relation to the on-line study of accelerator-produced short-lived isotopes using collinear laser spectroscopy and application of the technique to doubly charged ions.

Mass-independent isotope fractionation of Mo, Ru, Cd, and Te

NASA Astrophysics Data System (ADS)

Fujii, T.; Moynier, F.; Albarède, F.

2006-12-01

The variation of the mean charge distribution in the nucleus with the neutron number of different isotopes induces a tenuous shift of the nuclear field. The mass fractionation induced during phase changes is irregular, notably with 'staggering' between odd and even masses, and becomes increasingly non-linear for neutron-rich isotopes. A strong correlation is observed between the deviation of the isotopic effects from the linear dependence with mass and the corresponding nuclear charge radii. We first demonstrated on a number of elements the existence of such mass-independent isotope fractionation in laboratory experiments of solvent extraction with a macrocyclic compound. The isotope ratios were analyzed by multiple-collector inductively coupled plasma mass spectrometry with a typical precision of <100 ppm. The isotopes of odd and even atomic masses are enriched in the solvent to an extent that closely follows the variation of their nuclear charge radii. The present results fit Bigeleisen's (1996) model, which is the standard mass-dependent theory modified to include a correction term named the nuclear field shift effect. For heavy elements like uranium, the mass-independent effect is important enough to dominate the mass-dependent effect. We subsequently set out to compare the predictions of Bigeleisen's theory with the isotopic anomalies found in meteorites. Some of these anomalies are clearly inconsistent with nucleosynthetic effects (either s- or r-processes). Isotopic variations of Mo and Ru in meteorites, especially in Allende (CV3), show a clear indication of nucleosynthetic components. However, the mass-independent anomaly of Ru observed in Murchison (CM2) is a remarkable exception which cannot be explained by the nucleosynthetic model, but fits the nuclear field shift theory extremely well. The abundances of the even atomic mass Te isotopes in the leachates of carbonaceous chondrites, Allende, Murchison, and Orgueil, fit a mass-dependent law well, but the odd atomic mass isotope ^{125}Te clearly deviates from this correlation. The nuclear field shift theory shows that there is no effect on ^{130}Te but that the ^{125}Te anomaly is real. Carbonaceous chondrites do not reveal significant isotope fractionation of Cd isotopes, but a nuclear field shift effect is clearly present in type-3 (unequilibrated) ordinary chondrites. The nuclear field shift effect is temperature dependent and is probably more frequent in nature than commonly thought. It remains, together with nucleosynthetric anomalies, perfectly visible through the normalization of isotopic ratios to a reference value. In meteorites, this effect may originate both during condensation/evaporation processes in the nebular gas and during the metamorphism of the meteorite parent bodies.

Modeling hardwood crown radii using circular data analysis

Treesearch

Paul F. Doruska; Hal O. Liechty; Douglas J. Marshall

2003-01-01

Cylindrical data are bivariate data composed of a linear and an angular component. One can use uniform, first-order (one maximum and one minimum) or second-order (two maxima and two minima) models to relate the linear component to the angular component. Crown radii can be treated as cylindrical data when the azimuths at which the radii are measured are also recorded....

Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

USGS Publications Warehouse

Lee, M.W.; Meuwly, M.

2013-01-01

The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

Sorption of metals on humic acid

NASA Astrophysics Data System (ADS)

Kerndorff, H.; Schnitzer, M.

1980-11-01

The sorption on humic acid (HA) of metals from an aqueous solution containing Hg(II). Fe(III), Pb, Cu, Al, Ni, Cr(III), Cd, Zn, Co and Mn, was investigated with special emphasis on effects of pH, metal concentration and HA concentration. The sorption efficiency tended to increase with rise in pH, decrease in metal concentration and increase in HA concentration of the equilibrating solution. At pH 2.4. the order of sorption was: Hg≫ Fe≫ Pb≫ CuAl ≫ Ni ≫ CrZnCdCoMn. At pH 3.7. the order was: Hg and Fe were always most readily removed, while Co and Mn were sorbed least readily. There were indications of competition for active sites (CO 2H and phenolic OH groups) on the HA between the different metals. We were unable to find correlations between the affinities of the eleven metals to sorb on HA and their atomic weights, atomic numbers, valencies, and crystal and hydrated ionic radii. The sorption of the eleven metals on the HA could be described by the equation Y = 100/[1 + exp - (A + BX)], where Y = % metal removed by HA; X = mgHA; and A and B are empirical constants.

Optimizing Protein-Protein van der Waals Interactions for the AMBER ff9x/ff12 Force Field.

PubMed

Chapman, Dail E; Steck, Jonathan K; Nerenberg, Paul S

2014-01-14

The quality of molecular dynamics (MD) simulations relies heavily on the accuracy of the underlying force field. In recent years, considerable effort has been put into developing more accurate dihedral angle potentials for MD force fields, but relatively little work has focused on the nonbonded parameters, many of which are two decades old. In this work, we assess the accuracy of protein-protein van der Waals interactions in the AMBER ff9x/ff12 force field. Across a test set of 44 neat organic liquids containing the moieties present in proteins, we find root-mean-square (RMS) errors of 1.26 kcal/mol in enthalpy of vaporization and 0.36 g/cm(3) in liquid densities. We then optimize the van der Waals radii and well depths for all of the relevant atom types using these observables, which lowers the RMS errors in enthalpy of vaporization and liquid density of our validation set to 0.59 kcal/mol (53% reduction) and 0.019 g/cm(3) (46% reduction), respectively. Limitations in our parameter optimization were evident for certain atom types, however, and we discuss the implications of these observations for future force field development.

Effects of alloying and transmutation impurities on stability and mobility of helium in tungsten under a fusion environment

NASA Astrophysics Data System (ADS)

Wu, Xuebang; Kong, Xiang-Shan; You, Yu-Wei; Liu, C. S.; Fang, Q. F.; Chen, Jun-Ling; Luo, G.-N.; Wang, Zhiguang

2013-07-01

The behaviour of helium in metals is particularly significant in fusion research due to the He-induced degradation of materials. A small amount of impurities introduced either by intentional alloying or by transmutation reactions, will interact with He and lead the microstructure and mechanical properties of materials to change. In this paper, we present the results of first-principles calculations on the interactions of He with impurities and He diffusion around them in tungsten (W), including the interstitials Be, C, N, O, and substitutional solutes Re, Ta, Tc, Nb, V, Os, Ti, Si, Zr, Y and Sc. We find that the trapping radii of interstitial atoms on He are much larger than those of substitutional solutes. The binding energies between the substitutional impurities and He increase linearly with the relative charge densities at the He occupation site, indicating that He atoms easily aggregate at the low charge density site. The sequence of diffusion energy barriers of He around the possible alloying elements is Ti > V > Os > Ta > Re. The present results suggest that Ta might be chosen as a relatively suitable alloying element compared with other possible ones.

Pseudopotentials for quantum Monte Carlo studies of transition metal oxides

DOE PAGES

Krogel, Jaron T.; Santana Palacio, Juan A.; Reboredo, Fernando A.

2016-02-22

Quantum Monte Carlo (QMC) calculations of transition metal oxides are partially limited by the availability of high-quality pseudopotentials that are both accurate in QMC and compatible with major plane-wave electronic structure codes. We have generated a set of neon-core pseudopotentials with small cutoff radii for the early transition metal elements Sc to Zn within the local density approximation of density functional theory. The pseudopotentials have been directly tested for accuracy within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (M) atoms and the binding curve of each M-O dimer. We find the ionization potentialsmore » to be accurate to 0.16(1) eV, on average, relative to experiment. The equilibrium bond lengths of the dimers are within 0.5(1)% of experimental values, on average, and the binding energies are also typically accurate to 0.18(3) eV. The level of accuracy we find for atoms and dimers is comparable to what has recently been observed for bulk metals and oxides using the same pseudopotentials. Our QMC pseudopotential results compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.« less

Structural modeling of djenkolic acid with sulfur replaced by selenium and tellurium.

PubMed

Melnikov, Petr; Nascimento, Valter A; Silva, Anderson F; Consolo, Lourdes Z Z

2014-04-17

The comparative structural modeling of djenkolic acid and its derivatives containing selenium and tellurium in chalcogen sites (Ch=Se, Te) has provided detailed information about the bond lengths and bond angles, filling the gap in what we know about the structural characteristics of these aminoacids. The investigation using the molecular mechanics technique with good approximation confirmed the available information on X-ray refinements for the related compounds methionine and selenomethionine, as well as for an estimate made earlier for telluromethionine. It was shown that the Ch-C(3) and Ch-C(4) bond lengths grow in parallel with the increasing anionic radii. Although the distances C-C, C-O, and C-N are very similar, the geometry of conformers is quite different owing to the possibility of rotation about four carbon atoms, hence the remarkable variability observed in dihedral angles. It was shown that the compounds contain a rigid block with two Ch atoms connected through a methylene group. The standard program Gaussian 03 with graphical interface Gaussview 4.1.2 has proved to be satisfactory tool for the structural description of less-common bioactive compositions when direct X-ray results are absent.

Exploring Mercury Tail

NASA Image and Video Library

2008-08-26

As the MESSENGER spacecraft approached Mercury, the UVVS field of view was scanned across the planet's exospheric "tail," which is produced by the solar wind pushing Mercury's exosphere (the planet's extremely thin atmosphere) outward. This figure, recently published in Science magazine, shows a map of the distribution of sodium atoms as they stream away from the planet (see PIA10396); red and yellow colors represent a higher abundance of sodium than darker shades of blue and purple, as shown in the colored scale bar, which gives the brightness intensity in units of kiloRayleighs. The escaping atoms eventually form a comet-like tail that extends in the direction opposite that of the Sun for many planetary radii. The small squares outlined in black correspond to individual measurements that were used to create the full map. These measurements are the highest-spatial-resolution observations ever made of Mercury's tail. In less than six weeks, on October 6, 2008, similar measurements will be made during MESSENGER's second flyby of Mercury. Comparing the measurements from the two flybys will provide an unprecedented look at how Mercury's dynamic exosphere and tail vary with time. Date Acquired: January 14, 2008. http://photojournal.jpl.nasa.gov/catalog/PIA11076

Testing asteroseismic radii of dwarfs and subgiants with Kepler and Gaia

NASA Astrophysics Data System (ADS)

Sahlholdt, C. L.; Silva Aguirre, V.; Casagrande, L.; Mosumgaard, J. R.; Bojsen-Hansen, M.

2018-05-01

We test asteroseismic radii of Kepler main-sequence and subgiant stars by deriving their parallaxes which are compared with those of the first Gaia data release. We compute radii based on the asteroseismic scaling relations as well as by fitting observed oscillation frequencies to stellar models for a subset of the sample, and test the impact of using effective temperatures from either spectroscopy or the infrared flux method. An offset of 3 per cent, showing no dependency on any stellar parameters, is found between seismic parallaxes derived from frequency modelling and those from Gaia. For parallaxes based on radii from the scaling relations, a smaller offset is found on average; however, the offset becomes temperature dependent which we interpret as problems with the scaling relations at high stellar temperatures. Using the hotter infrared flux method temperature scale, there is no indication that radii from the scaling relations are inaccurate by more than about 5 per cent. Taking the radii and masses from the modelling of individual frequencies as reference values, we seek to correct the scaling relations for the observed temperature trend. This analysis indicates that the scaling relations systematically overestimate radii and masses at high temperatures, and that they are accurate to within 5 per cent in radius and 13 per cent in mass for main-sequence stars with temperatures below 6400 K. However, further analysis is required to test the validity of the corrections on a star-by-star basis and for more evolved stars.

Comparative study of generalized born models: Born radii and peptide folding.

PubMed

Zhu, Jiang; Alexov, Emil; Honig, Barry

2005-02-24

In this study, we have implemented four analytical generalized Born (GB) models and investigated their performance in conjunction with the GROMOS96 force field. The four models include that of Still and co-workers, the HCT model of Cramer, Truhlar, and co-workers, a modified form of the AGB model of Levy and co-workers, and the GBMV2 model of Brooks and co-workers. The models were coded independently and implemented in the GROMOS software package and in TINKER. They were compared in terms of their ability to reproduce the results of Poisson-Boltzmann (PB) calculations and in their performance in the ab initio peptide folding of two peptides, one that forms a beta-hairpin in solution and one that forms an alpha-helix. In agreement with previous work, the GBMV2 model is most successful in reproducing PB results while the other models tend to underestimate the effective Born radii of buried atoms. In contrast, stochastic dynamics simulations on the folding of the two peptides, the C-terminus beta-hairpin of the B1 domain of protein G and the alanine-based alpha-helical peptide 3K(I), suggest that the simpler GB models are more effective in sampling conformational space. Indeed, the Still model used in conjunction with the GROMOS96 force field is able to fold the hairpin peptide to a native-like structure without the benefit of enhanced sampling techniques. This is due in part to the properties of the united-atom GROMOS96 force field which appears to be more flexible, and hence to sample more efficiently, than force fields such as OPLSAA. Our results suggest a general strategy which involves using different combinations of force fields and solvent models in different applications, for example, using GROMOS96 and a simple GB model in sampling and OPLSAA and a more accurate GB model in refinement. The fact that various methods have been implemented in a unified way should facilitate the testing and subsequent use of different methods to evaluate conformational free energies in different applications. Our results also bear on some general issues involved in peptide folding and structure prediction which are addressed in the Discussion.

AME - Asteroseismology Made Easy. Estimating stellar properties by using scaled models

NASA Astrophysics Data System (ADS)

Lundkvist, Mia; Kjeldsen, Hans; Silva Aguirre, Victor

2014-06-01

Context. Stellar properties and, in particular stellar radii of exoplanet host stars, are essential for measuring the properties of exoplanets, therefore it is becoming increasingly important to be able to supply reliable stellar radii fast. Grid-modelling is an obvious choice for this, but that only offers a low degree of transparency to non-specialists. Aims: Here we present a new, easy, fast, and transparent method of obtaining stellar properties for stars exhibiting solar-like oscillations. The method, called Asteroseismology Made Easy (AME), can determine stellar masses, mean densities, radii, and surface gravities, as well as estimate ages. We present AME as a visual and powerful tool that could be useful, in particular, in light of the large number of exoplanets being found. Methods: AME consists of a set of figures from which the stellar parameters can be deduced. These figures are made from a grid of stellar evolutionary models that cover masses ranging from 0.7 M⊙ to 1.6 M⊙ in steps of 0.1 M⊙ and metallicities in the interval -0.3 dex ≤ [Fe/H] ≤ +0.3 dex in increments of 0.1 dex. The stellar evolutionary models are computed using the Modules for Experiments in Stellar Astrophysics (MESA) code with simple input physics. Results: We have compared the results from AME with results for three groups of stars: stars with radii determined from interferometry (and measured parallaxes), stars with radii determined from measurements of their parallaxes (and calculated angular diameters), and stars with results based on modelling their individual oscillation frequencies. We find that a comparison of the radii from interferometry to those from AME yields a weighted mean of the fractional differences of just 2%. This is also the level of deviation that we find when we compare the parallax-based radii to the radii determined from AME. Conclusions: The comparison between independently determined stellar parameters and those found using AME show that our method can provide reliable stellar masses, radii, and ages, with median uncertainties in the order of 4%, 2%, and 25%, respectively. http://sac.au.dk/scientific-data/ame

Development of ATHENA mirror modules

NASA Astrophysics Data System (ADS)

Collon, Maximilien J.; Vacanti, Giuseppe; Barrière, Nicolas M.; Landgraf, Boris; Günther, Ramses; Vervest, Mark; van der Hoeven, Roy; Dekker, Danielle; Chatbi, Abdel; Girou, David; Sforzini, Jessica; Beijersbergen, Marco W.; Bavdaz, Marcos; Wille, Eric; Fransen, Sebastiaan; Shortt, Brian; Haneveld, Jeroen; Koelewijn, Arenda; Booysen, Karin; Wijnperle, Maurice; van Baren, Coen; Eigenraam, Alexander; Müller, Peter; Krumrey, Michael; Burwitz, Vadim; Pareschi, Giovanni; Massahi, Sonny; Christensen, Finn E.; Della Monica Ferreira, Desirée.; Valsecchi, Giuseppe; Oliver, Paul; Checquer, Ian; Ball, Kevin; Zuknik, Karl-Heinz

2017-08-01

Silicon Pore Optics (SPO), developed at cosine with the European Space Agency (ESA) and several academic and industrial partners, provides lightweight, yet stiff, high-resolution x-ray optics. This technology enables ATHENA to reach an unprecedentedly large effective area in the 0.2 - 12 keV band with an angular resolution better than 5''. After developing the technology for 50 m and 20 m focal length, this year has witnessed the first 12 m focal length mirror modules being produced. The technology development is also gaining momentum with three different radii under study: mirror modules for the inner radii (Rmin = 250 mm), outer radii (Rmax = 1500 mm) and middle radii (Rmid = 737 mm) are being developed in parallel.

Effect of ionic radii on the Curie temperature in Ba1-x-ySrxCayTiO3 compounds.

PubMed

Berenov, A; Le Goupil, F; Alford, N

2016-06-21

A series of Ba1-x-ySrxCayTiO3 compounds were prepared with varying average ionic radii and cation disorder on A-site. All samples showed typical ferroelectric behavior. A simple empirical equation correlated Curie temperature, TC, with the values of ionic radii of A-site cations. This correlation was related to the distortion of TiO6 octahedra observed during neutron diffraction studies. The equation was used for the selection of compounds with predetermined values of TC. The effects of A-site ionic radii on the temperatures of phase transitions in Ba1-x-ySrxCayTiO3 were discussed.

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

Baines, Ellyn K.; Armstrong, J. Thomas; Schmitt, Henrique R.

Using the Navy Precision Optical Interferometer, we measured the angular diameters of 10 stars that have previously measured solar-like oscillations. Our sample covered a range of evolutionary stages but focused on evolved subgiant and giant stars. We combined our angular diameters with Hipparcos parallaxes to determine the stars' physical radii, and used photometry from the literature to calculate their bolometric fluxes, luminosities, and effective temperatures. We then used our results to test the scaling relations used by asteroseismology groups to calculate radii and found good agreement between the radii measured here and the radii predicted by stellar oscillation studies. Themore » precision of the relations is not as well constrained for giant stars as it is for less evolved stars.« less

China's rare-earth industry

USGS Publications Warehouse

Tse, Pui-Kwan

2011-01-01

Introduction China's dominant position as the producer of over 95 percent of the world output of rare-earth minerals and rapid increases in the consumption of rare earths owing to the emergence of new clean-energy and defense-related technologies, combined with China's decisions to restrict exports of rare earths, have resulted in heightened concerns about the future availability of rare earths. As a result, industrial countries such as Japan, the United States, and countries of the European Union face tighter supplies and higher prices for rare earths. This paper briefly reviews China's rare-earth production, consumption, and reserves and the important policies and regulations regarding the production and trade of rare earths, including recently announced export quotas. The 15 lanthanide elements-lanthanum, cerium, praseodymium, neodymium, promethium, samarium, europium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterbium, and lutetium (atomic numbers 57-71)-were originally known as the rare earths from their occurrence in oxides mixtures. Recently, some researchers have included two other elements-scandium and yttrium-in their discussion of rare earths. Yttrium (atomic number 39), which lies above lanthanum in transition group III of the periodic table and has a similar 3+ ion with a noble gas core, has both atomic and ionic radii similar in size to those of terbium and dysprosium and is generally found in nature with lanthanides. Scandium (atomic number 21) has a smaller ionic radius than yttrium and the lanthanides, and its chemical behavior is intermediate between that of aluminum and the lanthanides. It is found in nature with the lanthanides and yttrium. Rare earths are used widely in high-technology and clean-energy products because they impart special properties of magnetism, luminescence, and strength. Rare earths are also used in weapon systems to obtain the same properties.

The California- Kepler Survey. II. Precise Physical Properties of 2025 Kepler Planets and Their Host Stars

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

Johnson, John Asher; Cargile, Phillip A.; Sinukoff, Evan

We present stellar and planetary properties for 1305 Kepler Objects of Interest hosting 2025 planet candidates observed as part of the California- Kepler Survey. We combine spectroscopic constraints, presented in Paper I, with stellar interior modeling to estimate stellar masses, radii, and ages. Stellar radii are typically constrained to 11%, compared to 40% when only photometric constraints are used. Stellar masses are constrained to 4%, and ages are constrained to 30%. We verify the integrity of the stellar parameters through comparisons with asteroseismic studies and Gaia parallaxes. We also recompute planetary radii for 2025 planet candidates. Because knowledge of planetarymore » radii is often limited by uncertainties in stellar size, we improve the uncertainties in planet radii from typically 42% to 12%. We also leverage improved knowledge of stellar effective temperature to recompute incident stellar fluxes for the planets, now precise to 21%, compared to a factor of two when derived from photometry.« less

Analysis of coronal H I Lyman alpha measurements from a rocket flight on 1979 April 13

NASA Technical Reports Server (NTRS)

Withbroe, G. L.; Kohl, J. L.; Weiser, H.; Noci, G.; Munro, R. H.

1982-01-01

It is noted that measurements of the profiles of resonantly scattered hydrogen Lyman-alpha coronal radiation have been used in determining hydrogen kinetic temperatures from 1.5 to 4 solar radii from sun center in a quiet region of the corona. Proton temperatures derived using the line widths decrease with height from 2.6 x 10 to the 6th K at 1.5 solar radii to 1.2 x 10 to the 6th K at 4 solar radii. These measurements, together with temperatures for lower heights determined from earlier Skylab and eclipse data, suggest that there is a maximum in the quiet coronal proton temperature at about 1.5 solar radii. Comparison of measured Lyman-alpha intensities with those calculated using a representative model for the radial variation of the coronal electron density yields information on the magnitude of the electron temperature gradient and suggests that the solar wind flow was subsonic for distances less than 4 solar radii.

The Large Angle Spectroscopic Coronagraph (LASCO): Visible light coronal imaging and spectroscopy

NASA Technical Reports Server (NTRS)

Brueckner, Guenter E.; Howard, Russell A.; Koomen, Martin J.; Korendyke, C.; Michels, D. J.; Socker, D. G.; Lamy, Philippe; Llebaria, Antoine; Maucherat, J.; Schwenn, Rainer

1992-01-01

The Large Angle Spectroscopic Coronagraph (LASCO) is a triple coronagraph being jointly developed for the Solar and Heliospheric Observatory (SOHO) mission. LASCO comprises three nested coronagraphs (C1, C2, and C3) that image the solar corona for 1.1 to 30 solar radii (C1: 1.1 to 3 solar radii, C2: 1.5 to 6 solar radii, and C3: 3 to 30.0 solar radii). The inner coronagraph (C1) is a newly developed mirror version of the classic Lyot coronagraph without an external occultor, while the middle coronagraph (C2) and the outer coronagraph (C3) are externally occulted instruments. High resolution coronal spectroscopy from 1.1 to 3 R solar radii can be performed by using a Fabry-Perot interferometer, which is part of C1. High volume memories and a high speed microprocessor enable extensive onboard image processing. Image compression by factors of 10 to 20 will result in the transmission of 10 to 20 full images per hour.

Satellite tori at Saturn

NASA Technical Reports Server (NTRS)

Richardson, J. D.; Eviatar, A.; Siscoe, G. L.

1986-01-01

The inner satellites of Saturn are icy bodies imbedded in a plasma environment in which they are continuously bombarded by energetic ions, corotating plasma, and solar radiation. Laboratory sputtering experiments indicate that this should result in the injection of substantial amounts of neutral H, H2, OH, H2O, and O2 into the magnetosphere. The atomic processes affecting these neutrals and the neutrals and ions formed from them are modeled, and the steady state neutral and ion densities expected in the plasma tori of Enceladus, Dione-Tethys, and Rhea are calculated. Comparison with observations shows that recombination can limit the Enceladus and Dione-Tethys tori to the observed densities, but that transport rates of at least 4 x 10 to the -8th Saturn radii squared/s are required to limit torus densities at Rhea to the observed values.

Terraced spreading of simple liquids on solid surfaces

NASA Technical Reports Server (NTRS)

Yang, Ju-Xing; Koplik, Joel; Banavar, Jayanth R.

1992-01-01

We have studied the spreading of liquid drops on a solid surface by molecular-dynamics simulations of coexisting three-phase Lennard-Jones systems of liquid, vapor, and solid. We consider both spherically symmetric atoms and diatomic molecules, and a range of interaction strengths. As the attraction between liquid and solid increases we observe a smooth transition in spreading regimes, from partial to complete to terraced wetting. In the terraced case, where distinct monomolecular layers spread with different velocities, the layers are ordered but not solid, with substantial molecular diffusion both within and between layers. The quantitative behavior resembles recent experimental findings, but the detailed dynamics differ. In particular, the layers exhibit an unusual spreading law, where their radii vary in time as R-squared approximately equal to log10t, which disagrees with experiments on polymeric liquids as well as recent calculations.

Shape evolution for neutron-deficient bismuth isotopes studied by resonance laser ionization spectroscopy

NASA Astrophysics Data System (ADS)

Molkanov, P. L.; Barzakh, A. E.; Fedorov, D. V.; Ivanov, V. S.; Moroz, F. V.; Orlov, S. Yu.; Panteleev, V. N.; Seliverstov, M. D.; Volkov, Yu. M.

2017-11-01

In-source laser spectroscopy experiments for bismuth isotopes at the 306.77 nm atomic transition has been carried out at the IRIS (Investigation of Radioactive Isotopes at Synchrocyclotron) facility of Petersburg Nuclear Physics Institute. New data on isotope shifts for 189-198,211Bi isotopes and isomers have been obtained. The changes in the mean-square charge radii were deduced. The large isomer shift has been observed for the intruder isomer states of Bi with spin I = 1/2 ( A = 193, 195, 197). This testifies to the shape coexistence in these nuclei with the intruder isomer states more deformed than the ground states. Marked deviation from the nearly spherical behavior for ground states of the even-neutron Bi isotopes at N < 109 is demonstrated, in contrast to the Pb and Tl isotopic chains.

Energy Minimization of Molecular Features Observed on the (110) Face of Lysozyme Crystals

NASA Technical Reports Server (NTRS)

Perozzo, Mary A.; Konnert, John H.; Li, Huayu; Nadarajah, Arunan; Pusey, Marc

1999-01-01

Molecular dynamics and energy minimization have been carried out using the program XPLOR to check the plausibility of a model lysozyme crystal surface. The molecular features of the (110) face of lysozyme were observed using atomic force microscopy (AFM). A model of the crystal surface was constructed using the PDB file 193L, and was used to simulate an AFM image. Molecule translations, van der Waals radii, and assumed AFM tip shape were adjusted to maximize the correlation coefficient between the experimental and simulated images. The highest degree of 0 correlation (0.92) was obtained with the molecules displaced over 6 A from their positions within the bulk of the crystal. The quality of this starting model, the extent of energy minimization, and the correlation coefficient between the final model and the experimental data will be discussed.

73Ge, 119Sn and 207Pb: general cooperative effects of single atom ligands on the NMR signals observed in tetrahedral [MXnY4-n] (M = Ge, Sn, Pb; 1 ≤ n ≤ 4; X, Y = Cl, Br, I) coordination compounds of heavier XIV group elements.

PubMed

Benedetti, M; De Castro, F; Fanizzi, F P

2017-02-28

An inverse linear relationship between 73 Ge, 119 Sn and 207 Pb NMR chemical shifts and the overall sum of ionic radii of coordinated halido ligands has been discovered in tetrahedral [MX n Y 4-n ] (M = Ge, Sn, Pb; 1 ≤ n ≤ 4; X, Y = Cl, Br, I) coordination compounds. This finding is consistent with a previously reported correlation found in octahedral, pentacoordinate and square planar platinum complexes. The effect of the coordinated halido ligands acting on the metal as shielding conducting rings is therefore confirmed also by 73 Ge, 119 Sn and 207 Pb NMR spectroscopy.

The power laws of nanoscale forces in ambient conditions

NASA Astrophysics Data System (ADS)

Chiesa, Matteo; Santos, Sergio; Lai, Chia-Yun

Power laws are ubiquitous in the physical sciences and indispensable to qualitatively and quantitatively describe physical phenomena. A nanoscale force law that accurately describes the phenomena observed in ambient conditions at several nm or fractions of a nm above a surface however is still lacking. Here we report a power law derived from experimental data and describing the interaction between an atomic force microscope AFM tip modelled as a sphere and a surface in ambient conditions. By employing a graphite surface as a model system the resulting effective power is found to be a function of the tip radius and the distance. The data suggest a nano to mesoscale transition in the power law that results in relative agreement with the distance-dependencies predicted by the Hamaker and Lifshitz theories for van der Waals forces for the larger tip radii only

Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity.

PubMed

Ji, Wen-Xin; Xu, Wei; Schwarz, W H Eugen; Wang, Shu-Guang

2015-03-15

Lanthanide trihalide molecules LnX3 (X = F, Cl, Br, I) were quantum chemically investigated, in particular detail for Ln = Lu (lutetium). We applied density functional theory (DFT) at the nonrelativistic and scalar and SO-coupled relativistic levels, and also the ab initio coupled cluster approach. The chemically active electron shells of the lanthanide atoms comprise the 5d and 6s (and 6p) valence atomic orbitals (AO) and also the filled inner 4f semivalence and outer 5p semicore shells. Four different frozen-core approximations for Lu were compared: the (1s(2) -4d(10) ) [Pd] medium core, the [Pd+5s(2) 5p(6) = Xe] and [Pd+4f(14) ] large cores, and the [Pd+4f(14) +5s(2) 5p(6) ] very large core. The errors of LuX bonding are more serious on freezing the 5p(6) shell than the 4f(14) shell, more serious upon core-freezing than on the effective-core-potential approximation. The LnX distances correlate linearly with the AO radii of the ionic outer shells, Ln(3+) -5p(6) and X(-) -np(6) , characteristic for dominantly ionic Ln(3+) -X(-) binding. The heavier halogen atoms also bind covalently with the Ln-5d shell. Scalar relativistic effects contract and destabilize the LuX bonds, spin orbit coupling hardly affects the geometries but the bond energies, owing to SO effects in the free atoms. The relativistic changes of bond energy BE, bond length Re , bond force k, and bond stretching frequency vs do not follow the simple rules of Badger and Gordy (Re ∼BE∼k∼vs ). The so-called degeneracy-driven covalence, meaning strong mixing of accidentally near-degenerate, nearly nonoverlapping AOs without BE contribution is critically discussed. © 2015 Wiley Periodicals, Inc.

Analysis of Nanoprecipitates in a Na-Doped PbTe-SrTe Thermoelectric Material with a High Figure of Merit.

PubMed

Kim, Yoon-Jun; Zhao, Li-Dong; Kanatzidis, Mercouri G; Seidman, David N

2017-07-05

The dimensionless figure of merit, ZT, of bulk thermoelectric materials depends mainly on the transport properties of charge carriers and heat-carrying phonons. PbTe-4 mol % SrTe doped with 2 mol % Na (Pb 0.94 Na 0.02 Sr 0.04 Te) is a nanostructured material system that exhibits a ZT higher than 2. The precipitate size distribution of SrTe precipitates is believed to play a key role. This raises the question of whether its performance is limited by precipitate coarsening (Ostwald ripening) at elevated temperatures. Herein, we utilize an atom-probe tomography (APT) to study the number density and mean radii of precipitates in concert with partial radial distribution functions (RDFs) of individual atoms. We find that the SrTe precipitates actually contain oxygen: SrTe 1-x O x . We correlate this information with the overall ZT performance, specifically focusing on the electrical and lattice thermal conductivities after isothermal heat treatments at 300 and 400 °C for 7 days, followed by furnace cooling. Comparison of the samples annealed at 400 and 300 °C demonstrates significant coarsening of SrTe 1-x O x precipitates as well as strong segregation of oxygen impurities in the SrTe 1-x O x precipitates. Additionally, on the basis of the partial RDFs, the Na dopant atoms cluster with other Na atoms as well as with Pb, Te, and Sr atoms; clustering depends strongly on the annealing temperature and concomitantly affects the overall ZT values. We found that the coarsening slightly increases the lattice thermal conductivity and also increases the electrical conductivity, thereby having little or even a beneficial effect on the ZT values. Importantly, these findings demonstrate that APT enables quantitative analyses in three dimensions of the PbTe-4 mol % SrTe samples in addition to correlation of their properties with the thermoelectric performance.

Predictions of new AB O3 perovskite compounds by combining machine learning and density functional theory

NASA Astrophysics Data System (ADS)

Balachandran, Prasanna V.; Emery, Antoine A.; Gubernatis, James E.; Lookman, Turab; Wolverton, Chris; Zunger, Alex

2018-04-01

We apply machine learning (ML) methods to a database of 390 experimentally reported A B O3 compounds to construct two statistical models that predict possible new perovskite materials and possible new cubic perovskites. The first ML model classified the 390 compounds into 254 perovskites and 136 that are not perovskites with a 90% average cross-validation (CV) accuracy; the second ML model further classified the perovskites into 22 known cubic perovskites and 232 known noncubic perovskites with a 94% average CV accuracy. We find that the most effective chemical descriptors affecting our classification include largely geometric constructs such as the A and B Shannon ionic radii, the tolerance and octahedral factors, the A -O and B -O bond length, and the A and B Villars' Mendeleev numbers. We then construct an additional list of 625 A B O3 compounds assembled from charge conserving combinations of A and B atoms absent from our list of known compounds. Then, using the two ML models constructed on the known compounds, we predict that 235 of the 625 exist in a perovskite structure with a confidence greater than 50% and among them that 20 exist in the cubic structure (albeit, the latter with only ˜50 % confidence). We find that the new perovskites are most likely to occur when the A and B atoms are a lanthanide or actinide, when the A atom is an alkali, alkali earth, or late transition metal atom, or when the B atom is a p -block atom. We also compare the ML findings with the density functional theory calculations and convex hull analyses in the Open Quantum Materials Database (OQMD), which predicts the T =0 K ground-state stability of all the A B O3 compounds. We find that OQMD predicts 186 of 254 of the perovskites in the experimental database to be thermodynamically stable within 100 meV/atom of the convex hull and predicts 87 of the 235 ML-predicted perovskite compounds to be thermodynamically stable within 100 meV/atom of the convex hull, including 6 of these to be in cubic structures. We suggest these 87 as the most promising candidates for future experimental synthesis of novel perovskites.

Mirror Charge Radii and the Neutron Equation of State

NASA Astrophysics Data System (ADS)

Brown, B. Alex

2017-09-01

The differences in the charge radii of mirror nuclei are shown to be proportional to the derivative of the neutron equation of state and the symmetry energy at nuclear matter saturation density. This derivative is important for constraining the neutron equation of state for use in astrophysics. The charge radii of several neutron-rich nuclei are already measured to the accuracy of about 0.005 fm. Experiments at isotope-separator and radioactive-beam facilities are needed to measure the charge radii of the corresponding proton-rich mirror nuclei to a similar accuracy. It is also shown that neutron skins of nuclei with N =Z depend upon the value of the symmetry energy at a density of 0.10 nucleons /fm3 .

The effect of starspots on the radii of low-mass pre-main-sequence stars

NASA Astrophysics Data System (ADS)

Jackson, R. J.; Jeffries, R. D.

2014-07-01

A polytropic model is used to investigate the effects of dark photospheric spots on the evolution and radii of magnetically active, low-mass (M < 0.5 M⊙), pre-main-sequence (PMS) stars. Spots slow the contraction along Hayashi tracks and inflate the radii of PMS stars by a factor of (1 - β)-N compared to unspotted stars of the same luminosity, where β is the equivalent covering fraction of dark starspots and N ≃ 0.45 ± 0.05. This is a much stronger inflation than predicted by Spruit & Weiss for main-sequence stars with the same β, where N ˜ 0.2-0.3. These models have been compared to radii determined for very magnetically active K- and M-dwarfs in the young Pleiades and NGC 2516 clusters, and the radii of tidally locked, low-mass eclipsing binary components. The binary components and zero-age main-sequence K-dwarfs have radii inflated by ˜10 per cent compared to an empirical radius-luminosity relation that is defined by magnetically inactive field dwarfs with interferometrically measured radii; low-mass M-type PMS stars, that are still on their Hayashi tracks, are inflated by up to ˜40 per cent. If this were attributable to starspots alone, we estimate that an effective spot coverage of 0.35 < β < 0.51 is required. Alternatively, global inhibition of convective flux transport by dynamo-generated fields may play a role. However, we find greater consistency with the starspot models when comparing the loci of active young stars and inactive field stars in colour-magnitude diagrams, particularly for the highly inflated PMS stars, where the large, uniform temperature reduction required in globally inhibited convection models would cause the stars to be much redder than observed.

Use of the Posterior/Anterior Corneal Curvature Radii Ratio to Improve the Accuracy of Intraocular Lens Power Calculation: Eom's Adjustment Method.

PubMed

Kim, Mingue; Eom, Youngsub; Lee, Hwa; Suh, Young-Woo; Song, Jong Suk; Kim, Hyo Myung

2018-02-01

To evaluate the accuracy of IOL power calculation using adjusted corneal power according to the posterior/anterior corneal curvature radii ratio. Nine hundred twenty-eight eyes from 928 reference subjects and 158 eyes from 158 cataract patients who underwent phacoemulsification surgery were enrolled. Adjusted corneal power of cataract patients was calculated using the fictitious refractive index that was obtained from the geometric mean posterior/anterior corneal curvature radii ratio of reference subjects and adjusted anterior and predicted posterior corneal curvature radii from conventional keratometry (K) using the posterior/anterior corneal curvature radii ratio. The median absolute error (MedAE) based on the adjusted corneal power was compared with that based on conventional K in the Haigis and SRK/T formulae. The geometric mean posterior/anterior corneal curvature radii ratio was 0.808, and the fictitious refractive index of the cornea for a single Scheimpflug camera was 1.3275. The mean difference between adjusted corneal power and conventional K was 0.05 diopter (D). The MedAE based on adjusted corneal power (0.31 D in the Haigis formula and 0.32 D in the SRK/T formula) was significantly smaller than that based on conventional K (0.41 D and 0.40 D, respectively; P < 0.001 and P < 0.001, respectively). The percentage of eyes with refractive prediction error within ± 0.50 D calculated using adjusted corneal power (74.7%) was significantly greater than that obtained using conventional K (62.7%) in the Haigis formula (P = 0.029). IOL power calculation using adjusted corneal power according to the posterior/anterior corneal curvature radii ratio provided more accurate refractive outcomes than calculation using conventional K.

Nuclear States with Abnormally Large Radii (size Isomers)

NASA Astrophysics Data System (ADS)

Ogloblin, A. A.; Demyanova, A. S.; Danilov, A. N.; Belyaeva, T. L.; Goncharov, S. A.

2015-06-01

Application of the methods of measuring the radii of the short-lived excited states (Modified diffraction model MDM, Inelastic nuclear rainbow scattering method INRS, Asymptotic normalization coefficients method ANC) to the analysis of some nuclear reactions provide evidence of existing in 9Be, 11B, 12C, 13C the excited states whose radii exceed those of the corresponding ground states by ~ 30%. Two types of structure of these "size isomers" were identified: neutron halo an α-clusters.

Global Geodesy Using GPS Without Fiducial Sites

NASA Technical Reports Server (NTRS)

Heflin, Michael B.; Blewitt, Geoffrey

1994-01-01

Global Positioning System, GPS, used to make global geodetic measurements without use of fiducial site coordinates. Baseline lengths and geocentric radii for each site determined without having to fix any site coordinates. Given n globally distributed sites, n baseline lengths and n geocentric radii form polyhedron with each site at vertex and with geocenter at intersection of all radii. Geodetic information derived from structure of polyhedron and its change with time. Approach applied to any global geodetic technique.

Radii of neutron drops probed via the neutron skin thickness of nuclei

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

Zhao, P. W.; Gandolfi, S.

Multineutron systems are crucial to understanding the physics of neutron-rich nuclei and neutron stars. Neutron drops, neutrons confined in an external field, are investigated systematically in both nonrelativistic and relativistic density functional theories and with ab initio calculations. Here, we demonstrate a new strong linear correlation, which is universal in the realm of mean-field models, between the rms radii of neutron drops and the neutron skin thickness of 208 Pb and 48 Ca , i.e., the difference between the neutron and proton rms radii of a nucleus. This correlation can be used to deduce the radii of neutron drops frommore » the measured neutron skin thickness in a model-independent way, and the radii obtained for neutron drops can provide a useful constraint for realistic three-neutron forces, due to its high quality. Furthermore, we present a new correlation between the slope L of the symmetry energy and the radii of neutron drops, and provide the first validation of such a correlation by using density-functional models and ab initio calculations. These newly established correlations, together with more precise measurements of the neutron skin thicknesses of 208 Pb and 48 Ca and/or accurate determinations of L , will have an enduring impact on the understanding of multineutron interactions, neutron-rich nuclei, neutron stars, etc.« less

Radii of neutron drops probed via the neutron skin thickness of nuclei

DOE PAGES

Zhao, P. W.; Gandolfi, S.

2016-10-10

Multineutron systems are crucial to understanding the physics of neutron-rich nuclei and neutron stars. Neutron drops, neutrons confined in an external field, are investigated systematically in both nonrelativistic and relativistic density functional theories and with ab initio calculations. Here, we demonstrate a new strong linear correlation, which is universal in the realm of mean-field models, between the rms radii of neutron drops and the neutron skin thickness of 208 Pb and 48 Ca , i.e., the difference between the neutron and proton rms radii of a nucleus. This correlation can be used to deduce the radii of neutron drops frommore » the measured neutron skin thickness in a model-independent way, and the radii obtained for neutron drops can provide a useful constraint for realistic three-neutron forces, due to its high quality. Furthermore, we present a new correlation between the slope L of the symmetry energy and the radii of neutron drops, and provide the first validation of such a correlation by using density-functional models and ab initio calculations. These newly established correlations, together with more precise measurements of the neutron skin thicknesses of 208 Pb and 48 Ca and/or accurate determinations of L , will have an enduring impact on the understanding of multineutron interactions, neutron-rich nuclei, neutron stars, etc.« less

The magnetic field of the equatorial magnetotail from 10 to 40 earth radii

NASA Technical Reports Server (NTRS)

Fairfield, D. H.

1986-01-01

A statistical study of IMP 6, 7, and 8 magnetotail magnetic field measurements near the equatorial plane reveals new information about various aspects of magnetospheric structure. More magnetic flux crosses the equatorial plane on the dawn and dusk flanks of the tail than near midnight, but no evidence is found for a dependence on the interplanetary magnetic field sector polarity. Field magnitudes within 3 earth radii of the equatorial plane near dawn are more than twice as large as those near dusk for Xsm = -20 to -10 earth radii. The frequency of occurrence of southward fields is greatest near midnight, and such fields are seen almost twice as often for Xsm = -20 to -10 earth radii as for Xsm beyond -20 earth radii. This latter result supports the idea that the midnight region of the tail between 10 and 20 is a special location where neutral lines are particularly apt to form. Such a neutral line will approach nearest the earth in the midnight and premidnight region, where substorms are thought to have their onset.

Mechanisms for the Production of Fast HI from Dissociation of H2 on Saturn

NASA Astrophysics Data System (ADS)

Liu, Xianming; Johnson, Paul; Malone, Charles; Young, Jason; Kanik, Isik; Shemansky, Donald

2010-05-01

Images of the Saturn system obtained by the Cassini UVIS at a pixel resolution of 0.1 × 0.1 Saturn radii (Rs) reveal atomic hydrogen in ballistic and escaping trajectories sourced at the top of the thermosphere, primarily in the southern sunlit hemisphere. The main feature in the image is a distinctive H Lyman-α plume structure with FWHM of 0.56 Rs at the exobase sub-solar limb at ~ -13.5° latitude constituting the core of the distributed outward flow of atomic hydrogen from the sunlit hemisphere, with a counterpart on the anti-solar side peaking near the equator above the exobase limb. The structure of the image indicates that part of the out-flowing population is sub-orbital and re-enters the thermosphere in ~ 5 hour time scale. A larger and more broadly distributed component fills the magnetosphere to beyond 45 Rs in the orbital plane and 20 Rs latitudinally above and below the plane in an asymmetric distribution in local time. Molecular hydrogen emission in extreme and far ultraviolet regions collected with the H Lyman-α into the image mosaic reveals a distinctive resonance property correlated with the atomic hydrogen plume and shows a strong deviation of H2 X 1Σg+ from local thermodynamic equilibrium in the main source region. The inferred approximate globally averaged energy deposition at the top of the thermosphere from the production of the hot atomic hydrogen accounts for the measured atmospheric temperature. Possible processes for the fast atomic hydrogen formation from dissociation of H2 include the excitation of singlet-ungerade states and doubly excited states by photons and electrons, and the excitation of the singlet-gerade and triplet states by electrons, and chemical reactions involving the formation and dissociative recombination of H3+. Based on the available laboratory measurements and quantum mechanics calculations, the assessment of various mechanisms for H2 - H production, especially those producing H atoms with sufficient energy to escape from Saturn, will be presented.

Gray and multigroup radiation transport through 3D binary stochastic media with different sphere radii distributions

DOE PAGES

Olson, Gordon Lee

2016-12-06

Here, gray and multigroup radiation is transported through 3D media consisting of spheres randomly placed in a uniform background. Comparisons are made between using constant radii spheres and three different distributions of sphere radii. Because of the computational cost of 3D calculations, only the lowest angle order, n=1, is tested. If the mean chord length is held constant, using different radii distributions makes little difference. This is true for both gray and multigroup solutions. 3D transport solutions are compared to 2D and 1D solutions with the same mean chord lengths. 2D disk and 3D sphere media give solutions that aremore » nearly identical while 1D slab solutions are fundamentally different.« less

Gray and multigroup radiation transport through 3D binary stochastic media with different sphere radii distributions

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

Olson, Gordon Lee

Here, gray and multigroup radiation is transported through 3D media consisting of spheres randomly placed in a uniform background. Comparisons are made between using constant radii spheres and three different distributions of sphere radii. Because of the computational cost of 3D calculations, only the lowest angle order, n=1, is tested. If the mean chord length is held constant, using different radii distributions makes little difference. This is true for both gray and multigroup solutions. 3D transport solutions are compared to 2D and 1D solutions with the same mean chord lengths. 2D disk and 3D sphere media give solutions that aremore » nearly identical while 1D slab solutions are fundamentally different.« less

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

Kuechler, Erich R.; Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431; Giese, Timothy J.

To better represent the solvation effects observed along reaction pathways, and of ionic species in general, a charge-dependent variable-radii smooth conductor-like screening model (VR-SCOSMO) is developed. This model is implemented and parameterized with a third order density-functional tight binding quantum model, DFTB3/3OB-OPhyd, a quantum method which was developed for organic and biological compounds, utilizing a specific parameterization for phosphate hydrolysis reactions. Unlike most other applications with the DFTB3/3OB model, an auxiliary set of atomic multipoles is constructed from the underlying DFTB3 density matrix which is used to interact the solute with the solvent response surface. The resulting method is variational,more » produces smooth energies, and has analytic gradients. As a baseline, a conventional SCOSMO model with fixed radii is also parameterized. The SCOSMO and VR-SCOSMO models shown have comparable accuracy in reproducing neutral-molecule absolute solvation free energies; however, the VR-SCOSMO model is shown to reduce the mean unsigned errors (MUEs) of ionic compounds by half (about 2-3 kcal/mol). The VR-SCOSMO model presents similar accuracy as a charge-dependent Poisson-Boltzmann model introduced by Hou et al. [J. Chem. Theory Comput. 6, 2303 (2010)]. VR-SCOSMO is then used to examine the hydrolysis of trimethylphosphate and seven other phosphoryl transesterification reactions with different leaving groups. Two-dimensional energy landscapes are constructed for these reactions and calculated barriers are compared to those obtained from ab initio polarizable continuum calculations and experiment. Results of the VR-SCOSMO model are in good agreement in both cases, capturing the rate-limiting reaction barrier and the nature of the transition state.« less

Destruction of Refractory Carbon in Protoplanetary Disks

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

Anderson, Dana E.; Blake, Geoffrey A.; Bergin, Edwin A.

The Earth and other rocky bodies in the inner solar system contain significantly less carbon than the primordial materials that seeded their formation. These carbon-poor objects include the parent bodies of primitive meteorites, suggesting that at least one process responsible for solid-phase carbon depletion was active prior to the early stages of planet formation. Potential mechanisms include the erosion of carbonaceous materials by photons or atomic oxygen in the surface layers of the protoplanetary disk. Under photochemically generated favorable conditions, these reactions can deplete the near-surface abundance of carbon grains and polycyclic aromatic hydrocarbons by several orders of magnitude onmore » short timescales relative to the lifetime of the disk out to radii of ∼20–100+ au from the central star depending on the form of refractory carbon present. Due to the reliance of destruction mechanisms on a high influx of photons, the extent of refractory carbon depletion is quite sensitive to the disk’s internal radiation field. Dust transport within the disk is required to affect the composition of the midplane. In our current model of a passive, constant- α disk, where α = 0.01, carbon grains can be turbulently lofted into the destructive surface layers and depleted out to radii of ∼3–10 au for 0.1–1 μ m grains. Smaller grains can be cleared out of the planet-forming region completely. Destruction may be more effective in an actively accreting disk or when considering individual grain trajectories in non-idealized disks.« less

Probing the probe: AFM tip-profiling via nanotemplates to determine Hamaker constants from phase-distance curves.

PubMed

Rodriguez, Raul D; Lacaze, Emmanuelle; Jupille, Jacques

2012-10-01

A method to determine the van der Waals forces from phase-distance curves recorded by atomic force microscopy (AFM) in tapping mode is presented. The relationship between the phase shift and the tip-sample distance is expressed as a function of the product of the Hamaker constant by tip radius. Silica-covered silicon tips are used to probe silica-covered silicon substrate in dry conditions to avoid capillary effects. Tips being assumed spherical, radii are determined in situ by averaging profiles recorded in different directions on hematite nanocrystals acting as nanotemplates, thus accounting for tip anisotropy. Through a series of reproducible measurements performed with tips of various radii (including the in-situ characterization of a damaged tip), a value of (6.3±0.4)×10(-20) J is found for the Hamaker constant of interacting silica surfaces in air, in good agreement with tabulated data. The results demonstrate that the onset of the tip-surface interaction is dominated by the van der Waals forces and that the total force can be modeled in the framework of the harmonic approximation. Based on the tip radius and the Hamaker constant associated to the tip-substrate system, the model is quite flexible. Once the Hamaker constant is known, a direct estimate of the tip size can be achieved whereas when the tip size is known, a quantitative evaluation of the van der Waals force becomes possible on different substrates with a spatial resolution at the nanoscale. Copyright © 2012 Elsevier B.V. All rights reserved.

Visualization and Quantification of Rotor Tip Vortices in Helicopter Flows

NASA Technical Reports Server (NTRS)

Kao, David L.; Ahmad, Jasim U.; Holst, Terry L.

2015-01-01

This paper presents an automated approach for effective extraction, visualization, and quantification of vortex core radii from the Navier-Stokes simulations of a UH-60A rotor in forward flight. We adopt a scaled Q-criterion to determine vortex regions and then perform vortex core profiling in these regions to calculate vortex core radii. This method provides an efficient way of visualizing and quantifying the blade tip vortices. Moreover, the vortices radii are displayed graphically in a plane.

Proton Distribution Radii of 12-19C Illuminate Features of Neutron Halos

DOE PAGES

Kanungo, R.; Horiuchi, W.; Hagen, Gaute; ...

2016-09-02

We report proton radii of 12-19C densities derived from first accurate charge changing cross section measurements at 900A MeV with a carbon target. A thick neutron surface evolves from ~0.5 fm in 15C to ~1 fm in 19C. Also, the halo radius in 19C is found to be 6.4±0.7 fm as large as 11Li. Ab initio calculations based on chiral nucleon-nucleon and three-nucleon forces reproduce the radii well.

Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models

DTIC Science & Technology

2008-10-30

rigorous Poisson-based methods generally apply a Lee-Richards mo- lecular surface.9 This surface is considered the de facto description for continuum...definition and calculation of the Born radii. To evaluate the Born radii, two approximations are invoked. The first is the Coulomb field approximation (CFA...energy term, and depending on the particular GB formulation, higher-order non- Coulomb correction terms may be added to the Born radii to account for the

Atomic resolution holography.

PubMed

Hayashi, Kouichi

2014-11-01

Atomic resolution holography, such as X-ray fluorescence holography (XFH)[1] and photoelectron holography (PH), has the attention of researcher as an informative local structure analysis, because it provides three dimensional atomic images around specific elements within a range of a few nanometers. It can determine atomic arrangements around a specific element without any prior knowledge of structures. It is considered that the atomic resolution holographic is a third method of structural analysis at the atomic level after X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS). As known by many researchers, XRD and XAFS are established methods that are widespread use in various fields. XRD and XAFS provide information on long-range translational periodicities and very local environments, respectively, whereas the atomic resolution holography gives 3D information on the local order and can visualize surrounding atoms with a large range of coordination shells. We call this feature "3D medium-range local structure observation".In addition to this feature, the atomic resolution holography is very sensitive to the displacement of atoms from their ideal positions, and one can obtain quantitative information about local lattice distortions by analyzing reconstructed atomic images[2] When dopants with different atomic radii from the matrix elements are present, the lattices around the dopants are distorted. However, using the conventional methods of structural analysis, one cannot determine the extent to which the local lattice distortions are preserved from the dopants. XFH is a good tool for solving this problem.Figure 1 shows a recent achievement on a relaxor ferroelectric of Pb(Mg1/3Nb2/3)O3 (PMN) using XFH. The structural studies of relaxor ferroelectrics have been carried out by X-ray or neutron diffractions, which suggested rhombohedral distortions of their lattices. However, their true pictures have not been obtained, yet. The Nb Kα holograms showed four separate Pb images, as shown in Fig.1. Using these images, we could obtain acute and obtuse rhombohedral structures of the crystal unit cells. Moreover, the Pb-Pb correlated images reconstructed from Pb Lα holograms showed a local structure of body center-like 2a0 ×2a0 × 2a0 superlattice, proving a rigid 3D network structural model combining the two kinds of rhombohedrons. This superstructure are believed to play an important role in the relaxor behaviour of PMN at atomic level[3].jmicro;63/suppl_1/i13/DFU047F1F1DFU047F1Fig. 1.3D images of the nearest Pb and O atoms around Nb in Pb(Mg1/3Nb2/3)O3. The cube represents 1/8 of the unit cell. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

The Production of Cold Gas Within Galaxy Outflows

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

Scannapieco, Evan

2017-03-01

I present a suite of three-dimensional simulations of the evolution of initially hot material ejected by starburst-driven galaxy outflows. The simulations are conducted in a comoving frame that moves with the material, tracking atomic/ionic cooling, Compton cooling, and dust cooling and destruction. Compton cooling is the most efficient of these processes, while the main role of atomic/ionic cooling is to enhance density inhomogeneities. Dust, on the other hand, has little effect on the outflow evolution, and is rapidly destroyed in all the simulations except for the case with the smallest mass flux. I use the results to construct a simplemore » steady-state model of the observed UV/optical emission from each outflow. The velocity profiles in this case are dominated by geometric effects, and the overall luminosities are extremely strong functions of the properties of the host system, as observed in ultra-luminous infrared galaxies (ULIRGs). Furthermore the luminosities and maximum velocities in several models are consistent with emission-line observations of ULIRGs, although the velocities are significantly greater than observed in absorption-line studies. It may be that absorption line observations of galaxy outflows probe entrained cold material at small radii, while emission-line observations probe cold material condensing from the initially hot medium at larger distances.« less

Theoretical study of the hyperfine-interaction constants and the isotope-shift factors for the 3 s21S0-3 s 3 p 3,1P1o transitions in Al+

NASA Astrophysics Data System (ADS)

Zhang, Tingxian; Xie, Luyou; Li, Jiguang; Lu, Zehuang

2017-07-01

We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3 s 3 p 3,1P1o states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground state 3 s 2 1S0 in Al+ ions using the multiconfiguration Dirac-Hartree-Fock method. The effects of the electron correlations and the Breit interaction on these physical quantities were investigated in detail based on the active space approach. It is found that the core-core and the higher order correlations are considerable for evaluating the uncertainties of the atomic parameters concerned. The uncertainties of the hyperfine interaction constants in this work are less than 1.6%. Although the isotope shift factors are highly sensitive to the electron correlations, reasonable uncertainties were obtained by exploring the effects of the electron correlations. Moreover, we found that the relativistic nuclear recoil corrections to the mass shift factors are very small and insensitive to the electron correlations for Al+. These atomic parameters present in this work are valuable for extracting the nuclear electric quadrupole moments and the mean-square charge radii of Al isotopes.

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations.

PubMed

Anandakrishnan, Ramu; Aguilar, Boris; Onufriev, Alexey V

2012-07-01

The accuracy of atomistic biomolecular modeling and simulation studies depend on the accuracy of the input structures. Preparing these structures for an atomistic modeling task, such as molecular dynamics (MD) simulation, can involve the use of a variety of different tools for: correcting errors, adding missing atoms, filling valences with hydrogens, predicting pK values for titratable amino acids, assigning predefined partial charges and radii to all atoms, and generating force field parameter/topology files for MD. Identifying, installing and effectively using the appropriate tools for each of these tasks can be difficult for novice and time-consuming for experienced users. H++ (http://biophysics.cs.vt.edu/) is a free open-source web server that automates the above key steps in the preparation of biomolecular structures for molecular modeling and simulations. H++ also performs extensive error and consistency checking, providing error/warning messages together with the suggested corrections. In addition to numerous minor improvements, the latest version of H++ includes several new capabilities and options: fix erroneous (flipped) side chain conformations for HIS, GLN and ASN, include a ligand in the input structure, process nucleic acid structures and generate a solvent box with specified number of common ions for explicit solvent MD.

Low temperature platinum atomic layer deposition on nylon-6 for highly conductive and catalytic fiber mats

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

Mundy, J. Zachary; Shafiefarhood, Arya; Li, Fanxing

2016-01-15

Low temperature platinum atomic layer deposition (Pt-ALD) via (methylcyclopentadienyl)trimethyl platinum and ozone (O{sub 3}) is used to produce highly conductive nonwoven nylon-6 (polyamide-6, PA-6) fiber mats, having effective conductivities as high as ∼5500–6000 S/cm with only a 6% fractional increase in mass. The authors show that an alumina ALD nucleation layer deposited at high temperature is required to promote Pt film nucleation and growth on the polymeric substrate. Fractional mass gain scales linearly with Pt-ALD cycle number while effective conductivity exhibits a nonlinear trend with cycle number, corresponding to film coalescence. Field-emission scanning electron microscopy reveals island growth mode ofmore » the Pt film at low cycle number with a coalesced film observed after 200 cycles. The metallic coating also exhibits exceptional resistance to mechanical flexing, maintaining up to 93% of unstressed conductivity after bending around cylinders with radii as small as 0.3 cm. Catalytic activity of the as-deposited Pt film is demonstrated via carbon monoxide oxidation to carbon dioxide. This novel low temperature processing allows for the inclusion of highly conductive catalytic material on a number of temperature-sensitive substrates with minimal mass gain for use in such areas as smart textiles and flexible electronics.« less

Molecular dynamics simulations of shock waves in hydroxyl-terminated polybutadiene melts: Mechanical and structural responses

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

Fröhlich, Markus G., E-mail: FroehlichM@missouri.edu, E-mail: ThompsonDon@missouri.edu; Sewell, Thomas D., E-mail: SewellT@missouri.edu; Thompson, Donald L., E-mail: FroehlichM@missouri.edu, E-mail: ThompsonDon@missouri.edu

2014-01-14

The mechanical and structural responses of hydroxyl-terminated cis-1,4-polybutadiene melts to shock waves were investigated by means of all-atom non-reactive molecular dynamics simulations. The simulations were performed using the OPLS-AA force field but with the standard 12-6 Lennard-Jones potential replaced by the Buckingham exponential-6 potential to better represent the interactions at high compression. Monodisperse systems containing 64, 128, and 256 backbone carbon atoms were studied. Supported shock waves were generated by impacting the samples onto stationary pistons at impact velocities of 1.0, 1.5, 2.0, and 2.5 km s{sup −1}, yielding shock pressures between approximately 2.8 GPa and 12.5 GPa. Single-molecule structuralmore » properties (squared radii of gyration, asphericity parameters, and orientational order parameters) and mechanical properties (density, shock pressure, shock temperature, and shear stress) were analyzed using a geometric binning scheme to obtain spatio-temporal resolution in the reference frame centered on the shock front. Our results indicate that while shear stress behind the shock front is relieved on a ∼0.5 ps time scale, a shock-induced transition to a glass-like state occurs with a concomitant increase of structural relaxation times by several orders of magnitude.« less

Pauling Electronegativity On/Off Effects Assessed by 13 C and 29 Si NMR Spectroscopic Analysis.

PubMed

Benedetti, Michele; De Castro, Federica; Fanizzi, Francesco P

2017-11-27

In carbon and silicon tetrahalide compounds, the experimental 13 C and 29 Si NMR chemical-shift values are known to increase or decrease on increasing the overall sum of the ionic radii of the bonded halides Σ(r h ) (normal and inverse halogen dependence (NHD and IHD, respectively)). Herein, we extrapolate the main factors responsible for such NMR chemical shifts. Intriguingly, we found a characteristic value for the overall sum of the Pauling electronegativities of the bonded halides Σ(χ h ), which works as a triggering factor to determine the transition from the NHD to IHD. Below this Σ(χ h ) value, the chemical shift of the central atom was strictly related to only the Σ(r h ) value, thus producing a NHD trend. Conversely, above this value, the chemical shift of the central atom was dependent on both the Σ(r h ) and Σ(χ h ) values, thus producing a IHD trend. A simple model, in which the effect of the Σ(χ h ) value on 13 C and 29 Si NMR chemical shifts is related to an apparent increase in the Σ(r h ) value, is deduced. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bayes-Turchin analysis of x-ray absorption data above the Fe L{sub 2,3}-edges

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

Rossner, H. H.; Schmitz, D.; Imperia, P.

2006-10-01

Extended x-ray absorption fine structure (EXAFS) data and magnetic EXAFS (MEXAFS) data were measured at two temperatures (180 and 296 K) in the energy region of the overlapping L-edges of bcc Fe grown on a V(110) crystal surface. In combination with a Bayes-Turchin data analysis procedure these measurements enable the exploration of local crystallographic and magnetic structures. The analysis determined the atomic-like background together with the EXAFS parameters which consisted of ten shell radii, the Debye-Waller parameters, separated into structural and vibrational components, and the third cumulant of the first scattering path. The vibrational components for 97 different scattering pathsmore » were determined by a two parameter force-field model using a priori values adjusted to Born-von Karman parameters of inelastic neutron scattering data. The investigations of the system Fe/V(110) demonstrate that the simultaneous fitting of atomic background parameters and EXAFS parameters can be performed reliably. Using the L{sub 2}- and L{sub 3}-components extracted from the EXAFS analysis and the rigid-band model, the MEXAFS oscillations can only be described when the sign of the exchange energy is changed compared to the predictions of the Hedin Lundquist exchange and correlation functional.« less

Precise Masses & Radii of the Planets Orbiting K2-3 and GJ3470

NASA Astrophysics Data System (ADS)

Kosiarek, Molly; Crossfield, Ian; Hardegree-Ullman, Kevin; Livingston, John; Howard, Andrew; Fulton, Benjamin; Hirsch, Lea; Isaacson, Howard; Petigura, Erik; Sinukoff, Evan; Weiss, Lauren; Knutson, Heather; Bonfils, Xavier; Benneke, Björn; Beichman, Charles; Dressing, Courtney

2018-01-01

We report improved masses, radii, and densities for two planetary systems, K2-3 and GJ3470, derived from a combination of new radial velocity and transit observations. Both stars are nearby, early M dwarfs. K2-3 hosts three super-Earth planets between 1.5 and 2 Earth-radii at orbital periods between 10 and 45 days, while GJ 3470 hosts one 4 Earth-radii planet with a period of 3.3 days. Furthermore, we confirmed GJ3470's rotation period through multi-year ground-based photometry; RV analysis must account for this rotation signature. Due to the planets' low densities (all < 4.2 g/cm3) and bright host stars, they are among the best candidates for transmission spectroscopy with JWST and HST in order to characterize their atmospheric compositions.

The molecular structure and vibrational spectra of corrolazine metal complexes (CzM) by density functional theory

NASA Astrophysics Data System (ADS)

Wang, Hongming; Yang, Chuanlu; Zhang, Zhihong; Wang, Meishan; Han, Keli

2006-06-01

The ground-state geometries, electronic structures and vibrational frequencies of metal corrolazine complexes, CzM (M = Mn, Co, Ni and Fe) have been studied using B3LYP/6-311g(d) method. The molecular geometries are sensitive to the species of the metal, and the bond length of the M sbnd N is increase with the metal atom radii. The ground-state electronic structures indicate that there are strong interactions between d of the metal fragments and the corrolazine fragments. The calculations also indicate that the CzNi is the stabilest among the four metal corrolazine complexes. Vibrational frequencies of these metal corrolazine complexes were also calculated and were assigned to the local coordinates of the corrolazine ring, which reveals the some common feature of the molecular vibrations of the metal corrolazine complexes as four-coordination metallocorrolazines.

Communication: modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G

2014-10-07

We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley "bracelet" and "rod" test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, "Charge asymmetries in hydration of polar solutes," J. Phys. Chem. B 112, 2405-2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry.

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

Dayeh, M. A.; Fuselier, S. A.; Funsten, H. O.

We present remote, continuous observations from the Interstellar Boundary Explorer of the terrestrial plasma sheet location back to -16 Earth radii (R E) in the magnetospheric tail using energetic neutral atom emissions. The time period studied includes two orbits near the winter and summer solstices, thus associated with large negative and positive dipole tilt, respectively. Continuous side-view images reveal a complex shape that is dominated mainly by large-scale warping due to the diurnal motion of the dipole axis. Superposed on the global warped geometry are short-time fluctuations in plasma sheet location that appear to be consistent with plasma sheet flappingmore » and possibly twisting due to changes in the interplanetary conditions. We conclude that the plasma sheet warping due to the diurnal motion dominates the average shape of the plasma sheet. Over short times, the position of the plasma sheet can be dominated by twisting and flapping.« less

The Colorado Ultraviolet Transit Experiment (CUTE): Observing Mass Loss on Short-Period Exoplanets

NASA Astrophysics Data System (ADS)

Egan, Arika; Fleming, Brian; France, Kevin

2018-06-01

The Colorado Ultraviolet Transit Experiment (CUTE) is an NUV spectrograph packaged into a 6U CubeSat, designed to characterize the interaction between exoplanetary atmospheres and their host stars. CUTE will conduct a transit spectroscopy survey, gathering data over multiple transits on more than 12 short-period exoplanets with a range of masses and radii. The instrument will characterize the spectral properties of the transit light curves to < 1% depth sensitivity. The NUV is host to several high oscillator strength atomic and molecular absorption features predicted to exist in the upper atmospheres of these planets, including Mg I, Mg II, Fe II, and OH. The shape and evolution of these spectral light curves will be used to quantify mass loss rates, the stellar drives of that mass loss, and the possible existence of exoplanetary magnetic fiends. This poster presents the science motivation for CUTE, planned observation and data analysis methods, and expected results.

Microcavity enhanced single photon emission from two-dimensional WSe2

NASA Astrophysics Data System (ADS)

Flatten, L. C.; Weng, L.; Branny, A.; Johnson, S.; Dolan, P. R.; Trichet, A. A. P.; Gerardot, B. D.; Smith, J. M.

2018-05-01

Atomically flat semiconducting materials such as monolayer WSe2 hold great promise for novel optoelectronic devices. Recently, quantum light emission has been observed from bound excitons in exfoliated WSe2. As part of developing optoelectronic devices, the control of the radiative properties of such emitters is an important step. Here, we report the coupling of a bound exciton in WSe2 to open microcavities. We use a range of radii of curvature in the plano-concave cavity geometry with mode volumes in the λ3 regime, giving Purcell factors of up to 8 while increasing the photon flux five-fold. Additionally, we determine the quantum efficiency of the single photon emitter to be η=0.46 ±0.03 . Our findings pave the way to cavity-enhanced monolayer based single photon sources for a wide range of applications in nanophotonics and quantum information technologies.

Coalescence-Induced Jumping of Nanodroplets on Textured Surfaces.

PubMed

Gao, Shan; Liao, Quanwen; Liu, Wei; Liu, Zhichun

2018-01-04

Conducting experimental studies on nanoscale droplet coalescence using traditional microscopes is a challenging research topic, and views differ as to whether the spontaneous removal can occur in the coalescing nanodroplets. Here, a molecular dynamics simulation is carried out to investigate the coalescence process of two equally sized nanodroplets. On the basis of atomic coordinates, we compute the liquid bridge radii for various cases, which is described by a power law of spreading time, and these nanodroplets undergo coalescence in the inertially limited-viscous regime. Moreover, coalescence-induced jumping is also possible for the nanodroplets, and the attraction force between surface and water molecules plays a crucial role in this process, where the merged nanodroplets prefer to jump away from those surfaces with lower attraction force. When the solid-liquid interaction intensity and surface structure parameters are varied, the attraction force is shown to decrease with decreasing surface wettability intensity and solid fraction.

N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethane-1,2-diamine

PubMed Central

Fun, Hoong-Kun; Kia, Reza

2008-01-01

The mol­ecule of the title centrosymmetric Schiff base compound, C16H12Cl2F2N2, adopts an E configuration with respect to the azomethine C=N bond. The imino groups are coplanar with the aromatic rings. Within the mol­ecule, the planar units are parallel, but extend in opposite directions from the dimethyl­ene bridge. An inter­esting feature of the crystal structure is the short inter­molecular Cl⋯F [3.1747 (5) Å] inter­actions, which are shorter than the sum of the van der Waals radii of these atoms. These inter­actions link neighbouring mol­ecules along the b axis. The crystal structure is further stabilized by π–π inter­actions, with a centroid–centroid distance of 3.5244 (4) Å. PMID:21201124

A small mode volume tunable microcavity: Development and characterization

NASA Astrophysics Data System (ADS)

Greuter, Lukas; Starosielec, Sebastian; Najer, Daniel; Ludwig, Arne; Duempelmann, Luc; Rohner, Dominik; Warburton, Richard J.

2014-09-01

We report the realization of a spatially and spectrally tunable air-gap Fabry-Pérot type microcavity of high finesse and cubic-wavelength-scale mode volume. These properties are attractive in the fields of opto-mechanics, quantum sensing, and foremost cavity quantum electrodynamics. The major design feature is a miniaturized concave mirror with atomically smooth surface and radius of curvature as low as 10 μm produced by CO2 laser ablation of fused silica. We demonstrate excellent mode-matching of a focussed laser beam to the microcavity mode and confirm from the frequencies of the resonator modes that the effective optical radius matches the physical radius. With these small radii, we demonstrate wavelength-size beam waists. We also show that the microcavity is sufficiently rigid for practical applications: in a cryostat at 4 K, the root-mean-square microcavity length fluctuations are below 5 pm.

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

Oliver, S. A.; Harris, V. G.; Hamdeh, H. H.

The cation site occupancy of a mechanically activated nanocrystalline zinc ferrite powder was determined as (Zn{sub 0.55}{sup 2+}Fe{sub 0.18}{sup 3+}){sub tet}[Zr{sub 0.45}{sup 2+}Fe{sub 1.82}{sup 3+}]{sub oct}O{sub 4} through analysis of extended x-ray absorption fine structure measurements, showing a large redistribution of cations between sites compared to normal zinc ferrite samples. The overpopulation of cations in the octahedral sites was attributed to the ascendance in importance of the ionic radii over the crystal energy and bonding coordination in determining which interstitial sites are occupied in this structurally disordered powder. Slight changes are observed in the local atomic environment about the zincmore » cations, but not the iron cations, with respect to the spinel structure. The presence of Fe{sup 3+} on both sites is consistent with the measured room temperature magnetic properties. (c) 2000 American Institute of Physics.« less

Molar volume and adsorption isotherm dependence of capillary forces in nanoasperity contacts.

PubMed

Asay, David B; Kim, Seong H

2007-11-20

The magnitude of the capillary force at any given temperature and adsorbate partial pressure depends primarily on four factors: the surface tension of the adsorbate, its liquid molar volume, its isothermal behavior, and the contact geometry. At large contacting radii, the adsorbate surface tension and the contact geometry are dominating. This is the case of surface force apparatus measurements and atomic force microscopy (AFM) experiments with micrometer-size spheres. However, as the size of contacting asperities decreases to the nanoscale as in AFM experiments with sharp tips, the molar volume and isotherm of the adsorbate become very important to capillary formation as well as capillary adhesion. This effect is experimentally and theoretically explored with simple alcohol molecules (ethanol, 1-butanol, and 1-pentanol) which have comparable surface tensions but differing liquid molar volumes. Adsorption isotherms for these alcohols on silicon oxide are also reported.

Stokes-Einstein relation and excess entropy in Al-rich Al-Cu melts

NASA Astrophysics Data System (ADS)

Pasturel, A.; Jakse, N.

2016-07-01

We investigate the conditions for the validity of the Stokes-Einstein relation that connects diffusivity to viscosity in melts using entropy-scaling relationships developed by Rosenfeld. Employing ab initio molecular dynamics simulations to determine transport and structural properties of liquid Al1-xCux alloys (with composition x ≤ 0.4), we first show that reduced self-diffusion coefficients and viscosities, according to Rosenfeld's formulation, scale with the two-body approximation of the excess entropy except the reduced viscosity for x = 0.4. Then, we use our findings to evidence that the Stokes-Einstein relation using effective atomic radii is not valid in these alloys while its validity can be related to the temperature dependence of the partial pair-excess entropies of both components. Finally, we derive a relation between the ratio of the self-diffusivities of the components and the ratio of their pair excess entropies.

Communication: Modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions

PubMed Central

Bardhan, Jaydeep P.; Knepley, Matthew G.

2014-01-01

We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley “bracelet” and “rod” test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, “Charge asymmetries in hydration of polar solutes,” J. Phys. Chem. B 112, 2405–2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry. PMID:25296776

Modification of Lightweight Aggregates' Microstructure by Used Motor Oil Addition.

PubMed

Franus, Małgorzata; Jozefaciuk, Grzegorz; Bandura, Lidia; Lamorski, Krzysztof; Hajnos, Mieczysław; Franus, Wojciech

2016-10-18

An admixture of lightweight aggregate substrates (beidellitic clay containing 10 wt % of natural clinoptilolite or Na-P1 zeolite) with used motor oil (1 wt %-8 wt %) caused marked changes in the aggregates' microstructure, measured by a combination of mercury porosimetry (MIP), microtomography (MT), and scanning electron microscopy. Maximum porosity was produced at low (1%-2%) oil concentrations and it dropped at higher concentrations, opposite to the aggregates' bulk density. Average pore radii, measured by MIP, decreased with an increasing oil concentration, whereas larger (MT) pore sizes tended to increase. Fractal dimension, derived from MIP data, changed similarly to the MIP pore radius, while that derived from MT remained unaltered. Solid phase density, measured by helium pycnometry, initially dropped slightly and then increased with the amount of oil added, which was most probably connected to changes in the formation of extremely small closed pores that were not available for He atoms.

Modification of Lightweight Aggregates’ Microstructure by Used Motor Oil Addition

PubMed Central

Franus, Małgorzata; Jozefaciuk, Grzegorz; Bandura, Lidia; Lamorski, Krzysztof; Hajnos, Mieczysław; Franus, Wojciech

2016-01-01

An admixture of lightweight aggregate substrates (beidellitic clay containing 10 wt % of natural clinoptilolite or Na-P1 zeolite) with used motor oil (1 wt %–8 wt %) caused marked changes in the aggregates’ microstructure, measured by a combination of mercury porosimetry (MIP), microtomography (MT), and scanning electron microscopy. Maximum porosity was produced at low (1%–2%) oil concentrations and it dropped at higher concentrations, opposite to the aggregates’ bulk density. Average pore radii, measured by MIP, decreased with an increasing oil concentration, whereas larger (MT) pore sizes tended to increase. Fractal dimension, derived from MIP data, changed similarly to the MIP pore radius, while that derived from MT remained unaltered. Solid phase density, measured by helium pycnometry, initially dropped slightly and then increased with the amount of oil added, which was most probably connected to changes in the formation of extremely small closed pores that were not available for He atoms. PMID:28773964

Direct manufacturing of ultrathin graphite on three-dimensional nanoscale features

PubMed Central

Pacios, Mercè; Hosseini, Peiman; Fan, Ye; He, Zhengyu; Krause, Oliver; Hutchison, John; Warner, Jamie H.; Bhaskaran, Harish

2016-01-01

There have been many successful attempts to grow high-quality large-area graphene on flat substrates. Doing so at the nanoscale has thus far been plagued by significant scalability problems, particularly because of the need for delicate transfer processes onto predefined features, which are necessarily low-yield processes and which can introduce undesirable residues. Herein we describe a highly scalable, clean and effective, in-situ method that uses thin film deposition techniques to directly grow on a continuous basis ultrathin graphite (uG) on uneven nanoscale surfaces. We then demonstrate that this is possible on a model system of atomic force probe tips of various radii. Further, we characterize the growth characteristics of this technique as well as the film’s superior conduction and lower adhesion at these scales. This sets the stage for such a process to allow the use of highly functional graphite in high-aspect-ratio nanoscale components. PMID:26939862

Pluto's Extended Atmosphere: New Horizons Alice Lyman-α Imaging

NASA Astrophysics Data System (ADS)

Retherford, Kurt D.; Gladstone, G. Randall; Stern, S. Alan; Weaver, Harold A.; Young, Leslie A.; Ennico, Kimberly A.; Olkin, Cathy B.; Cheng, Andy F.; Greathouse, Thomas K.; Hinson, David P.; Kammer, Joshua A.; Linscott, Ivan R.; Parker, Alex H.; Parker, Joel Wm.; Pryor, Wayne R.; Schindhelm, Eric; Singer, Kelsi N.; Steffl, Andrew J.; Strobel, Darrell F.; Summers, Michael E.; Tsang, Constantine C. C.; Tyler, G. Len; Versteeg, Maarten H.; Woods, William W.; Cunningham, Nathaniel J.; Curdt, Werner

2015-11-01

Pluto's upper atmosphere is expected to extend several planetary radii, proportionally more so than for any planet in our solar system. Atomic hydrogen is readily produced at lower altitudes due to photolysis of methane and transported upward to become an important constituent. The Interplanetary Medium (IPM) provides a natural light source with which to study Pluto's atomic hydrogen atmosphere. While direct solar Lyman-α emissions dominate the signal at 121.6 nm at classical solar system distances, the contribution of diffuse illumination by IPM Lyman-α sky-glow is roughly on par at Pluto (Gladstone et al., Icarus, 2015). Hydrogen atoms in Pluto's upper atmosphere scatter these bright Lyα emission lines, and detailed simulations of the radiative transfer for these photons indicate that Pluto would appear dark against the IPM Lyα background. The Pluto-Alice UV imaging spectrograph on New Horizons conducted several observations of Pluto during the encounter to search for airglow emissions, characterize its UV reflectance spectra, and to measure the radial distribution of IPM Lyα near the disk. Our early results suggest that these model predictions for the darkening of IPM Lyα with decreasing altitude being measureable by Pluto-Alice were correct. We'll report our progress toward extracting H and CH4 density profiles in Pluto's upper atmosphere through comparisons of these data with detailed radiative transfer modeling. These New Horizons findings will have important implications for determining the extent of Pluto's atmosphere and related constraints to high-altitude vertical temperature structure and atmospheric escape.This work was supported by NASA's New Horizons project.

The measurement of dynamic radii for passenger car tyre

NASA Astrophysics Data System (ADS)

Anghelache, G.; Moisescu, R.

2017-10-01

The tyre dynamic rolling radius is an extremely important parameter for vehicle dynamics, for operation of safety systems as ESP, ABS, TCS, etc., for road vehicle research and development, as well as for validation or as an input parameter of automotive simulations and models. The paper investigates the dynamic rolling radii of passenger car tyre and the influence of rolling speed and inflation pressure on their magnitude. The measurement of dynamic rolling radii has been performed on a chassis dynamometer test rig. The dynamic rolling radii have been measured indirectly, using longitudinal rolling speed and angular velocity of wheel. Due to the subtle effects that the parameters have on rolling radius magnitude, very accurate equipment has to be used. Two different methods have been chosen for measuring the wheel angular velocity: the stroboscopic lamp and the incremental rotary encoder. The paper shows that the stroboscopic lamp has an insufficient resolution, therefore it was no longer used for experimental investigation. The tyre dynamic rolling radii increase with rolling speed and with tyre inflation pressure, but the effect of pressure is more significant. The paper also makes considerations on the viability of simplified formulae from literature for calculating the tyre dynamic rolling radius.

UNDERSTANDING THE STRUCTURE OF THE HOT INTERSTELLAR MEDIUM IN NORMAL EARLY-TYPE GALAXIES.

NASA Astrophysics Data System (ADS)

Traynor, Liam; Kim, Dong-Woo; Chandra Galaxy Atlas

2018-01-01

The hot interstellar medium (ISM) of early-type galaxies (ETG's) provides crucial insight into the understanding of their formation and evolution. Mechanisms such as type Ia supernovae heating, AGN feedback, deepening potential depth through dark matter assembly and ramp-pressure stripping are known to affect the structure of the ISM. By using temperature maps and radial temperature profiles of the hot ISM from ~70 ETG's with archival Chandra data, it is possible to classify the galaxy's ISM into common structural types. This is extended by using 3D fitting of the radial temperature profile in order to provide models that further constrain the structural types. Five structural types are present, negative (temperature decreases with radii), positive (temperature increases with radii), hybrid-dip (temperature decreases at small radii and increases at large radii), hybrid-bump (inverse of hybrid-dip) and quasi-isothermal (temperature is constant at all radii). This work will be continued by 1) determining which mechanisms are present in which galaxies and 2) analysing the model parameters between galaxies within each structural type to determine whether each type can be described by a single set of model parameters, indicating that the same physical processes are responsible for creating that structural type.

Azimuthal Angle Dependence of HBT Radii in Au+Au Collisions at RHIC-PHENIX

NASA Astrophysics Data System (ADS)

Niida, Takafumi

Measurement of Hanbury-Brown and Twiss (HBT) interferometry with respect to the event plane have been performed in Au+Au collisions at √{sNN} = 200 GeV at PHENIX, which is a unique tool to study the spatial extent of the created matter at final state in heavy ion collisions and the detailed picture of the space-time evolution from the initial state to the final state. The Gaussian source radii was measured for charged pions and kaons with respect to 2nd-order event plane. There was a difference in final eccentricity between both species, which may imply the different freeze-out mechanism by the particle species. The pion source radii was also measured relative to 3rd-order event plane, and the azimuthal angle dependence of the radii was observed, which qualitatively agrees with the recent hydrodynamic calculation and the oscillation may be driven from the triangular flow.

Morphology of distal radius curvatures: a CT-based study on the Malaysian Malay population

PubMed Central

Singh, Taran Singh Pall; Sadagatullah, Abdul Nawfar; Yusof, Abdul Halim

2015-01-01

INTRODUCTION The purpose of this study was to examine the differing curves of the volar distal radius of healthy Malaysian Malays, so as to obtain detailed morphological information that will further the understanding of volar plate osteosynthesis in Malaysian Malays. METHODS Computed tomography with three-dimensional reconstruction was performed on the wrists of 16 healthy Malaysian Malay volunteers. Profile measurements were made using a software program. A novel parameter, the pronator quadratus curve angle, was explored and introduced in this study. Interclass correlation coefficients were calculated to assess the level of agreement between the data collected by the principal investigator and that collected by an independent radiologist. RESULTS The mean ± standard deviation of the arc radii on the radial aspect was 17.50° ± 5.40°, while the median (interquartile range [IQR]) of the arc radii on the ulnar aspect was 25.27° (IQR 5.80°). The mean ± standard deviation of the curvature of the pronator quadratus line was 40.52° ± 2.48°. The arc radii on the radial aspect was significantly lower than the arc radii on the ulnar aspect (p = 0.001). Different radial and ulnar arcs were observed in 56.25% of the radii; the arc was deeper on the ulnar aspect in 93.75% of the radii. CONCLUSION Based on the findings of this study, the likelihood of achieving anatomical reduction with uniformly curved, fixed-angle volar plates is questionable. Changes in the design of these implants may be needed to optimise their usage in the Malaysian Malay population. PMID:25814075

Self-Diffusion and Heteroassociation in an Acetone-Chloroform Mixture at 298 K

NASA Astrophysics Data System (ADS)

Golubev, V. A.; Gurina, D. L.; Kumeev, R. S.

2018-01-01

The self-diffusion coefficients of acetone and chloroform in a binary acetone-chloroform mixture at 298 K are determined via pulsed field gradient NMR spectroscopy. It is estimated that the hydrodynamic radii of the mixture's components, calculated using the Stokes-Einstein equation, grow as the concentrations of the components fall. It is shown that such behavior of hydrodynamic radii is due to acetone-chloroform heteroassociation. The hydrodynamic radii of monomers and heteroassociates in a 1: 1 ratio are determined along with the constant of heteroassociation, using the proposed model of an associated solution.

Electrolyte solutions at curved electrodes. II. Microscopic approach

NASA Astrophysics Data System (ADS)

Reindl, Andreas; Bier, Markus; Dietrich, S.

2017-04-01

Density functional theory is used to describe electrolyte solutions in contact with electrodes of planar or spherical shape. For the electrolyte solutions, we consider the so-called civilized model, in which all species present are treated on equal footing. This allows us to discuss the features of the electric double layer in terms of the differential capacitance. The model provides insight into the microscopic structure of the electric double layer, which goes beyond the mesoscopic approach studied in Paper I. This enables us to judge the relevance of microscopic details, such as the radii of the particles forming the electrolyte solutions or the dipolar character of the solvent particles, and to compare the predictions of various models. Similar to Paper I, a general behavior is observed for small radii of the electrode in that in this limit the results become independent of the surface charge density and of the particle radii. However, for large electrode radii, non-trivial behaviors are observed. Especially the particle radii and the surface charge density strongly influence the capacitance. From the comparison with the Poisson-Boltzmann approach, it becomes apparent that the shape of the electrode determines whether the microscopic details of the full civilized model have to be taken into account or whether already simpler models yield acceptable predictions.

Electrolyte solutions at curved electrodes. II. Microscopic approach.

PubMed

Reindl, Andreas; Bier, Markus; Dietrich, S

2017-04-21

Density functional theory is used to describe electrolyte solutions in contact with electrodes of planar or spherical shape. For the electrolyte solutions, we consider the so-called civilized model, in which all species present are treated on equal footing. This allows us to discuss the features of the electric double layer in terms of the differential capacitance. The model provides insight into the microscopic structure of the electric double layer, which goes beyond the mesoscopic approach studied in Paper I. This enables us to judge the relevance of microscopic details, such as the radii of the particles forming the electrolyte solutions or the dipolar character of the solvent particles, and to compare the predictions of various models. Similar to Paper I, a general behavior is observed for small radii of the electrode in that in this limit the results become independent of the surface charge density and of the particle radii. However, for large electrode radii, non-trivial behaviors are observed. Especially the particle radii and the surface charge density strongly influence the capacitance. From the comparison with the Poisson-Boltzmann approach, it becomes apparent that the shape of the electrode determines whether the microscopic details of the full civilized model have to be taken into account or whether already simpler models yield acceptable predictions.

Precision Stellar and Planetary Astrophysics with TESS and Gaia

NASA Astrophysics Data System (ADS)

Stevens, Daniel J.; KELT Collaboration

2018-01-01

There is an ever-present need for precise and accurate stellar parameters, particularly for low-mass stars. For example, some fraction of measured M dwarf radii are inflated and have effective temperatures that are suppressed relative to predictions from models, but the physical cause of these effects is still uncertain. This is exacerbated by the fact that only a handful of M dwarfs -- all from double-lined eclipsing binaries (EBs) -- have both masses and radii measured to 3% or better. In the Gaia era, we can now measure model-independent masses and radii for single-lined EBs, thus expanding the sample of stars with precisely measured parameters by at least an order of magnitude, in principle. I will illustrate how one can combine Gaia parallaxes and broad-band stellar fluxes with the eclipse and radial velocity data to provide model-independent masses and radii. I will present our expected achievable constraints on the masses and radii of single-lined EBs. I will discuss both our current effort to turn several dozens of single-lined EBs discovered by the KELT and HATNet surveys into a catalog of exquisitely characterized stars and exoplanets as well as the prospects for achieving similar science for a much larger number of systems with TESS.

Difference in proton radii of mirror nuclei as a possible surrogate for the neutron skin

NASA Astrophysics Data System (ADS)

Yang, Junjie; Piekarewicz, J.

2018-01-01

It has recently been suggested that differences in the charge radii of mirror nuclei are proportional to the neutron-skin thickness of neutron-rich nuclei and to the slope of the symmetry energy L [Brown, Phys. Rev. Lett. 102, 122502 (2009), 10.1103/PhysRevLett.102.122502]. The determination of the neutron skin has important implications for nuclear physics and astrophysics. Although the use of electroweak probes provides a largely model-independent determination of the neutron skin, the experimental challenges are enormous. Thus, the possibility that differences in the charge radii of mirror nuclei may be used as a surrogate for the neutron skin is a welcome alternative. To test the validity of this assumption we perform calculations based on a set of relativistic energy density functionals that span a wide region of values of L . Our results confirm that the difference in charge radii between various neutron-deficient nickel isotopes and their corresponding mirror nuclei is indeed strongly correlated to both the neutron-skin thickness and L . Moreover, given that various neutron-star properties are also sensitive to L , a data-to-data relation emerges between the difference in charge radii of mirror nuclei and the radius of low-mass neutron stars.

The Saturn hydrogen plume

NASA Astrophysics Data System (ADS)

Shemansky, D. E.; Liu, X.; Melin, H.

2009-12-01

Images of the Saturn atmosphere and magnetosphere in H Lyα emission during the Cassini spacecraft pre and post Saturn orbit insertion (SOI) event obtained using the UVIS experiment FUV spectrograph have revealed definitive evidence for the escape of H I atoms from the top of the thermosphere. An image at 0.1×0.1 Saturn equatorial radii ( RS) pixel resolution with an edge-on-view of the rings shows a distinctive structure (plume) with full width at half maximum (FWHM) of 0.56RS at the exobase sub-solar limb at ˜-13.5∘ latitude as part of the distributed outflow of H I from the sunlit hemisphere, with a counterpart on the antisolar side peaking near the equator above the exobase limb. The structure of the image indicates that part of the outflowing population is sub-orbital and re-enters the thermosphere in an approximate 5 h time scale. An evident larger more broadly distributed component fills the magnetosphere to beyond 45RS in the orbital plane in an asymmetric distribution in local time, similar to an image obtained at Voyager 1 post encounter in a different observational geometry. It has been found that H2 singlet ungerade Rydberg EUV/FUV emission spectra collected with the H Lyα into the image mosaic show a distinctive resonance property correlated with the H Lyα plume. The inferred approximate globally averaged energy deposition at the top of the thermosphere from the production of the hot atomic hydrogen accounts for the measured atmospheric temperature. The only known process capable of producing the atoms at the required few eV/atom kinetic energy appears to be the direct electron excitation of non-LTE H2XΣg+1( v:J) into the repulsive H2bΣu+3, although details of the processes need to be examined under the constraints imposed by the observations to determine compatibility with the current knowledge of hydrogen rate processes.

Calcium in Mercury's Exosphere: Modeling MESSENGER Data

NASA Technical Reports Server (NTRS)

Burger, Matthew H.; Killen, Rosemary M.; McClintock, William E.; Merkel, Aimee; Vervack, Ronald J.; Sarantos, Menelaos; Sprague, Ann L.

2011-01-01

Mercury is surrounded by a surface-bounded exosphere comprised of atomic species including hydrogen, sodium, potassium, calcium, magnesium, and likely oxygen. Because it is collisionless. the exosphere's composition represents a balance of the active source and loss processes. The Mercury Atmospheric and Surface Composition Spectrometer (MASCS) on the MErcury Surface. Space ENvironment. GEochemistry. and Ranging (MESSENGER) spacecraft has made high spatial-resolution observations of sodium, calcium, and magnesium near Mercury's surface and in the extended, anti-sunward direction. The most striking feature of these data has been the substantial differences in the spatial distribution of each species, Our modeling demonstrates that these differences cannot be due to post-ejection dynamics such as differences in photo-ionization rate and radiation pressure. but instead point to differences in the source mechanisms and regions on the surface from which each is ejected. The observations of calcium have revealed a strong dawn/dusk asymmetry. with the abundance over the dawn hemisphere significantly greater than over the dusk. To understand this asymmetry, we use a Monte Carlo model of Mercury's exosphere that we developed to track the motions of exospheric neutrals under the influence of gravity and radiation pressure. Ca atoms can be ejected directly from the surface or produced in a molecular exosphere (e.g., one consisting of CaO). Particles are removed from the system if they stick to the surface or escape from the model region of interest (within 15 Mercury radii). Photoionization reduces the final weighting given to each particle when simulating the Ca radiance. Preliminary results suggest a high temperature ( I-2x 10(exp 4) K) source of atomic Ca concentrated over the dawn hemisphere. The high temperature is consistent with the dissociation of CaO in a near-surface exosphere with scale height <= 100 km, which imparts 2 eV to the freshly produced Ca atom. This source region and energy are consistent with data from the three MESSENGER flybys; whether this holds true for the data obtained in orbit is under investigation.

Manufacturing and advanced characterization of sub-25nm diameter CD-AFM probes with sub-10nm tip edges radius

NASA Astrophysics Data System (ADS)

Foucher, Johann; Filippov, Pavel; Penzkofer, Christian; Irmer, Bernd; Schmidt, Sebastian W.

2013-04-01

Atomic force microscopy (AFM) is increasingly used in the semiconductor industry as a versatile monitoring tool for highly critical lithography and etching process steps. Applications range from the inspection of the surface roughness of new materials, over accurate depth measurements to the determination of critical dimension structures. The aim to address the rapidly growing demands on measurement uncertainty and throughput more and more shifts the focus of attention to the AFM tip, which represents the crucial link between AFM tool and the sample to be monitored. Consequently, in order to reach the AFM tool's full potential, the performance of the AFM tip has to be considered as a determining parameter. Currently available AFM tips made from silicon are generally limited by their diameter, radius, and sharpness, considerably restricting the AFM measurement capabilities on sub-30nm spaces. In addition to that, there's lack of adequate characterization structures to accurately characterize sub-25nm tip diameters. Here, we present and discuss a recently introduced AFM tip design (T-shape like design) with precise tip diameters down to 15nm and tip radii down to 5nm fabricated from amorphous, high density diamond-like carbon (HDC/DLC) using electron beam induced processing (EBIP). In addition to that advanced design, we propose a new characterizer structure, which allows for accurate characterization and design control of sub-25nm tip diameters and sub-10nm tip edges radii. We demonstrate the potential advantages of combining a small tip shape design, i.e. tip diameter and tip edge radius, and an advanced tip characterizer for the semiconductor industry by the measurement of advanced lithography patterns.

The biomechanical role of overall-shape transformation in a primitive multicellular organism: A case study of dimorphism in the filamentous cyanobacterium Arthrospira platensis.

PubMed

Chaiyasitdhi, Atitheb; Miphonpanyatawichok, Wirat; Riehle, Mathis Oliver; Phatthanakun, Rungrueang; Surareungchai, Werasak; Kundhikanjana, Worasom; Kuntanawat, Panwong

2018-01-01

Morphological transformations in primitive organisms have long been observed; however, its biomechanical roles are largely unexplored. In this study, we investigate the structural advantages of dimorphism in Arthrospira platensis, a filamentous multicellular cyanobacterium. We report that helical trichomes, the default shape, have a higher persistence length (Lp), indicating a higher resistance to bending or a large value of flexural rigidity (kf), the product of the local cell stiffness (E) and the moment of inertia of the trichomes' cross-section (I). Through Atomic Force Microscopy (AFM), we determined that the E of straight and helical trichomes were the same. In contrast, our computational model shows that I is greatly dependent on helical radii, implying that trichome morphology is the major contributor to kf variation. According to our estimation, increasing the helical radii alone can increase kf by 2 orders of magnitude. We also observe that straight trichomes have improved gliding ability, due to its structure and lower kf. Our study shows that dimorphism provides mechanical adjustability to the organism and may allow it to thrive in different environmental conditions. The higher kf provides helical trichomes a better nutrient uptake through advection in aquatic environments. On the other hand, the lower kf improves the gliding ability of straight trichomes in aquatic environments, enabling it to chemotactically relocate to more favorable territories when it encounters certain environmental stresses. When more optimal conditions are encountered, straight trichomes can revert to their original helical form. Our study is one of the first to highlight the biomechanical role of an overall-shape transformation in cyanobacteria.

Testing core creation in hydrodynamical simulations using the HI kinematics of field dwarfs

NASA Astrophysics Data System (ADS)

Papastergis, E.; Ponomareva, A. A.

2017-05-01

The majority of recent hydrodynamical simulations indicate the creation of central cores in the mass profiles of low-mass halos, a process that is attributed to star formation-related baryonic feedback. Core creation is regarded as one of the most promising solutions to potential issues faced by lambda cold dark matter (ΛCDM) cosmology on small scales. For example, the reduced dynamical mass enclosed by cores can explain the low rotational velocities measured for nearby dwarf galaxies, thus possibly lifting the seeming contradiction with the ΛCDM expectations (the so-called "too big to fail" problem). Here we test core creation as a solution of cosmological issues by using a sample of dwarfs with measurements of their atomic hydrogen (HI) kinematics extending to large radii. Using the NIHAO hydrodynamical simulation as an example, we show that core creation can successfully reproduce the kinematics of dwarfs with small kinematic radii, R ≲ 1.5 kpc. However, the agreement with observations becomes poor once galaxies with kinematic measurements extending beyond the core region, R ≈ 1.5-4 kpc, are considered. This result illustrates the importance of testing the predictions of hydrodynamical simulations that are relevant for cosmology against a broad range of observational samples. We would like to stress that our result is valid only under the following set of assumptions: I) that our sample of dwarfs with HI kinematics is representative of the overall population of field dwarfs; II) that there are no severe measurement biases in the observational parameters of our HI dwarfs (e.g., related to inclination estimates); and III) that the HI velocity fields of dwarfs are regular enough to allow the recovery of the true enclosed dynamical mass.

THE CHROMOSPHERIC SOLAR LIMB BRIGHTENING AT RADIO, MILLIMETER, SUB-MILLIMETER, AND INFRARED WAVELENGTHS

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

De la Luz, V.

2016-07-10

Observations of the emission at radio, millimeter, sub-millimeter, and infrared wavelengths in the center of the solar disk validate the autoconsistence of semi-empirical models of the chromosphere. Theoretically, these models must reproduce the emission at the solar limb. In this work, we tested both the VALC and C7 semi-empirical models by computing their emission spectrum in the frequency range from 2 GHz to 10 THz at solar limb altitudes. We calculate the Sun's theoretical radii as well as their limb brightening. Non-local thermodynamic equilibrium was computed for hydrogen, electron density, and H{sup −}. In order to solve the radiative transfermore » equation, a three-dimensional (3D) geometry was employed to determine the ray paths, and Bremsstrahlung, H{sup −}, and inverse Bremsstrahlung opacity sources were integrated in the optical depth. We compared the computed solar radii with high-resolution observations at the limb obtained by Clark. We found that there are differences between the observed and computed solar radii of 12,000 km at 20 GHz, 5000 km at 100 GHz, and 1000 km at 3 THz for both semi-empirical models. A difference of 8000 km in the solar radii was found when comparing our results against the heights obtained from H α observations of spicules-off at the solar limb. We conclude that the solar radii cannot be reproduced by VALC and C7 semi-empirical models at radio—infrared wavelengths. Therefore, the structures in the high chromosphere provide a better measurement of the solar radii and their limb brightening as shown in previous investigations.« less

Bayesian Analysis of Hot-Jupiter Radius Anomalies: Evidence for Ohmic Dissipation?

NASA Astrophysics Data System (ADS)

Thorngren, Daniel P.; Fortney, Jonathan J.

2018-05-01

The cause of hot-Jupiter radius inflation, where giant planets with {T}eq} > 1000 K are significantly larger than expected, is an open question and the subject of many proposed explanations. Many of these hypotheses postulate an additional anomalous power that heats planets’ convective interiors, leading to larger radii. Rather than examine these proposed models individually, we determine what anomalous powers are needed to explain the observed population’s radii, and consider which models are most consistent with this. We examine 281 giant planets with well-determined masses and radii and apply thermal evolution and Bayesian statistical models to infer the anomalous power as a fraction of (and varying with) incident flux ɛ(F) that best reproduces the observed radii. First, we observe that the inflation of planets below about M = 0.5 M J appears very different than their higher-mass counterparts, perhaps as the result of mass loss or an inefficient heating mechanism. As such, we exclude planets below this threshold. Next, we show with strong significance that ɛ(F) increases with {T}eq} toward a maximum of ∼2.5% at T eq ≈ 1500 K, and then decreases as temperatures increase further, falling to ∼0.2% at T eff = 2500 K. This high-flux decrease in inflation efficiency was predicted by the Ohmic dissipation model of giant planet inflation but not other models. We also show that the thermal tides model predicts far more variance in radii than is observed. Thus, our results provide evidence for the Ohmic dissipation model and a functional form for ɛ(F) that any future theories of hot-Jupiter radii can be tested against.

Characteristic analysis and comparison of two kinds of hybrid plasmonic annular resonators

NASA Astrophysics Data System (ADS)

Zhou, Jie; Shi, Feifei; Zhou, Taojie; He, Kebo; Qiu, Bocang; Zhang, Zhaoyu

2017-04-01

We designed two kinds of hybrid plasmonic annular resonators with different cross-sectional shapes, i.e., a square and circle called "square ring" and "circle ring" resonators, respectively. Both resonators feature an ultracompact mode volume of ˜10-4 μm3 and a relatively high-quality factor of ˜102 at a submicron footprint within our studied wavelength range from 400 to 900 nm. Their performance as defined by the Q/V ratio (quality factor over mode volume) is enhanced considerably with a reduction in their physical dimensions. There exists critical annular radii, which increase from 400 to 600 nm with an increase in the azimuthal numbers from m=7 to m=10, if the two types of rings are compared with the same mode numbers and same ring thickness of 120 nm. Below the critical radii, the circle ring resonator outperforms the square ring resonator in terms of the Q/V ratio, and the difference in Q/V of the two types of rings increases rapidly with the decrease of the radii. On the other hand, they have critical annular radii of ˜250 nm, below which the square ring resonator outperforms the circle ring resonator at the wavelengths of 490 and 595 nm however, the difference in Q/V of the two types of rings remains small within the radii range we consider. It is suggested that, in practice, with the consideration of the wavelength of green emission for these two ring structures with radii from 100 to 500 nm and ring thickness ˜120 nm, they have a negligible difference in Q/V performance.

Faraday rotation fluctutation spectra observed during solar occultation of the Helios spacecraft

NASA Technical Reports Server (NTRS)

Andreev, V.; Efimov, A. I.; Samoznaev, L.; Bird, M. K.

1995-01-01

Faraday rotation (FR) measurements using linearly polarized radio signals from the two Helios spacecraft were carried out during the period from 1975 to 1984. This paper presents the results of a spectral analysis of the Helios S-band FR fluctuations observed at heliocentric distances from 2.6 to 15 solar radii during the superior conjunctions 1975-1983. The mean intensity of the FR fluctuations does not exceed the noise level for solar offsets greater than ca. 15 solar radii. The rms FR fluctuation amplitude increases rapidly as the radio ray path approaches the Sun, varying according to a power law (exponent: 2.85 +/- 0.15) at solar distances 4-12 solar radii. At distances inside 4 solar radii the increase is even steeper (exponent: 5.6 +/- 0.2). The equivalent two-dimensional FR fluctuation spectrum is well modeled by a single power-law over the frequency range from 5 to 50 mHz. For heliocentric distances larger than 4 solar radii the spectral index varies between 1.1 and 1.6 with a mean value of 1.4 +/- 0.2, corresponding to a 3-D spectral index p = 2.4. FR fluctuations thus display a somwhat lower spectral index compared with phase and amplitude fluctuations. Surprisingly high values of the spectral index were found for measurements inside 4 solar radii (p = 2.9 +/- 0.2). This may arise from the increasingly dominant effect of the magnetic field on radio wave propagation at small solar offsets. Finally, a quasiperiodic component, believed to be associated with Alfven waves, was discovered in some (but not all!) fluctuation spectra observed simultaneously at two ground stations. Characteristic periods and bulk velocities of this component were 240 +/- 30 sec and 300 +/- 60 km/s, respectively.

Evaluating the Surface Topography of Pyrolytic Carbon Finger Prostheses through Measurement of Various Roughness Parameters

PubMed Central

Naylor, Andrew; Talwalkar, Sumedh C.; Trail, Ian A.; Joyce, Thomas J.

2016-01-01

The articulating surfaces of four different sizes of unused pyrolytic carbon proximal interphalangeal prostheses (PIP) were evaluated though measuring several topographical parameters using a white light interferometer: average roughness (Sa); root mean-square roughness (Sq); skewness (Ssk); and kurtosis (Sku). The radii of the articulating surfaces were measured using a coordinate measuring machine, and were found to be: 2.5, 3.3, 4.2 and 4.7 mm for proximal, and 4.0, 5.1, 5.6 and 6.3 mm for medial components. ANOVA was used to assess the relationship between the component radii and each roughness parameter. Sa, Sq and Ssk correlated negatively with radius (p = 0.001, 0.001, 0.023), whilst Sku correlated positively with radius (p = 0.03). Ergo, the surfaces with the largest radii possessed the better topographical characteristics: low roughness, negative skewness, high kurtosis. Conversely, the surfaces with the smallest radii had poorer topographical characteristics. PMID:27089375

What shapes stellar metallicity gradients of massive galaxies at large radii?

NASA Astrophysics Data System (ADS)

Hirschmann, Michaela

2017-03-01

We investigate the differential impact of physical mechanisms, mergers and internal energetic phenomena, on the evolution of stellar metallicity gradients in massive, present-day galaxies employing sets of high-resolution, cosmological zoom simulations. We demonstrate that negative metallicity gradients at large radii (>2Reff) originate from the accretion of metal-poor stellar systems. At larger radii, galaxies become typically more dominated by stars accreted from satellite galaxies in major and minor mergers. However, only strong galactic, stellar-driven winds can sufficiently reduce the metallicity content of the accreted stars to realistically steepen the outer metallicity gradients in agreement with observations. In contrast, the gradients of the models without winds are inconsistent with observations. Moreover, we discuss the impact of additional AGN feedback. This analysis greatly highlights the importance of both energetic processes and merger events for stellar population properties of massive galaxies at large radii. Our results are expected to significantly contribute to the interpretation of current and up-coming IFU surveys (e.g. MaNGA, CALIFA).

Morphology of the Saturn Magnetospheric Neutral gas

NASA Astrophysics Data System (ADS)

Shemansky, D. E.

2009-05-01

Although it has been known that Saturn's magnetospheric volume is filled with neutral gas, from the time of the Voyager encounters and subsequent HST observations, the Cassini Mission was essential for revealing the depth of complexity in the source processes and structure of this system. The state of the magnetosphere is unique, containing a plasma environment quenched by neutral gas from the top of the atmosphere to beyond the bow shock with neutral/plasma mixing ratios in the range 100 to ˜ 3000. The dominant neutral species identified in the magnetosphere by remote sensing are atomic hydrogen and oxygen, OH and H2O . Atomic hydrogen was mapped using the Voyager UVS and found to have an asymmetric distribution in local time, filling the entire magnetosphere, with a broad latitudinal distribution. These observations were followed by the measurement of the OH spectrum using the HST FOS. The definition of the HST distribution was limited to a few points in the system, showing a peak near 3. Saturn radii (RS ) from system center. Atomic oxygen was detected and mapped using the Cassini UVIS system, showing orbital asymmetry and temporal variation, with a substantially broader distribution than OH. All of the observed species emissions from the magnetosphere are produced by solar photon fluorescence, the ambient plasma volume being too low in density and temperature to generate measurable particle excited emission. H2O has been measured in Cassini UVIS stellar occultations at the south polar plumes at Enceladus, with a total mass injection rate that is the same order needed to maintain the oxygen population. The oxygen distribution, however, indicates that sources other than Enceladus may be contributing. Virtually all of the atomic hydrogen in the system is attributed to escape from the top of the Saturn atmosphere. The complexity of this process was graphically revealed in the Cassini UVIS system higher resolution images showing a plume of atoms in ballistic and escaping orbits emerging from the sub-solar atmosphere at about -13 deg latitude, with a FWHM of about 20 deg. The total flux in H atoms is high enough to account for the heating required to maintain the temperature at the top of the atmosphere. There is only a crude understanding of this phenomenon, that evidently requires electrodynamic forcing in hydrogen physical chemistry in the vicinity of the exobase.

Scleral topography analysed by optical coherence tomography.

PubMed

Bandlitz, Stefan; Bäumer, Joachim; Conrad, Uwe; Wolffsohn, James

2017-08-01

A detailed evaluation of the corneo-scleral-profile (CSP) is of particular relevance in soft and scleral lenses fitting. The aim of this study was to use optical coherence tomography (OCT) to analyse the profile of the limbal sclera and to evaluate the relationship between central corneal radii, corneal eccentricity and scleral radii. Using OCT (Optos OCT/SLO; Dunfermline, Scotland, UK) the limbal scleral radii (SR) of 30 subjects (11M, 19F; mean age 23.8±2.0SD years) were measured in eight meridians 45° apart. Central corneal radii (CR) and corneal eccentricity (CE) were evaluated using the Oculus Keratograph 4 (Oculus, Wetzlar, Germany). Differences between SR in the meridians and the associations between SR and corneal topography were assessed. Median SR measured along 45° (58.0; interquartile range, 46.8-84.8mm) was significantly (p<0.001) flatter than along 0° (30.7; 24.5-44.3mm), 135° (28.4; 24.9-30.9mm), 180° (23.40; 21.3-25.4mm), 225° (25.8; 22.4-32.4mm), 270° (28.8; 25.3-33.1mm), 315° (30.0; 25.0-36.9mm), and 90° (37.1; 29.1-43.4mm). In addition, the nasal SR along 0° were significant flatter than the temporal SR along 180° (p<0.001). Central corneal radius in the flat meridian (7.83±0.26mm) and in the steep meridian (7.65±0.26mm) did not correlate with SR (p=0.186 to 0.998). There was no statistically significant correlation between corneal eccentricity and scleral radii in each meridian (p=0.422). With the OCT device used in this study it was possible to measure scleral radii in eight different meridians. Scleral radii are independent of corneal topography and may provide additional data useful in fitting soft and scleral contact lenses. Copyright © 2017 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

MolProbity: More and better reference data for improved all-atom structure validation.

PubMed

Williams, Christopher J; Headd, Jeffrey J; Moriarty, Nigel W; Prisant, Michael G; Videau, Lizbeth L; Deis, Lindsay N; Verma, Vishal; Keedy, Daniel A; Hintze, Bradley J; Chen, Vincent B; Jain, Swati; Lewis, Steven M; Arendall, W Bryan; Snoeyink, Jack; Adams, Paul D; Lovell, Simon C; Richardson, Jane S; Richardson, David C

2018-01-01

This paper describes the current update on macromolecular model validation services that are provided at the MolProbity website, emphasizing changes and additions since the previous review in 2010. There have been many infrastructure improvements, including rewrite of previous Java utilities to now use existing or newly written Python utilities in the open-source CCTBX portion of the Phenix software system. This improves long-term maintainability and enhances the thorough integration of MolProbity-style validation within Phenix. There is now a complete MolProbity mirror site at http://molprobity.manchester.ac.uk. GitHub serves our open-source code, reference datasets, and the resulting multi-dimensional distributions that define most validation criteria. Coordinate output after Asn/Gln/His "flip" correction is now more idealized, since the post-refinement step has apparently often been skipped in the past. Two distinct sets of heavy-atom-to-hydrogen distances and accompanying van der Waals radii have been researched and improved in accuracy, one for the electron-cloud-center positions suitable for X-ray crystallography and one for nuclear positions. New validations include messages at input about problem-causing format irregularities, updates of Ramachandran and rotamer criteria from the million quality-filtered residues in a new reference dataset, the CaBLAM Cα-CO virtual-angle analysis of backbone and secondary structure for cryoEM or low-resolution X-ray, and flagging of the very rare cis-nonProline and twisted peptides which have recently been greatly overused. Due to wide application of MolProbity validation and corrections by the research community, in Phenix, and at the worldwide Protein Data Bank, newly deposited structures have continued to improve greatly as measured by MolProbity's unique all-atom clashscore. © 2017 The Protein Society.

AEgIS at ELENA: outlook for physics with a pulsed cold antihydrogen beam

NASA Astrophysics Data System (ADS)

Doser, M.; Aghion, S.; Amsler, C.; Bonomi, G.; Brusa, R. S.; Caccia, M.; Caravita, R.; Castelli, F.; Cerchiari, G.; Comparat, D.; Consolati, G.; Demetrio, A.; Di Noto, L.; Evans, C.; Fanì, M.; Ferragut, R.; Fesel, J.; Fontana, A.; Gerber, S.; Giammarchi, M.; Gligorova, A.; Guatieri, F.; Haider, S.; Hinterberger, A.; Holmestad, H.; Kellerbauer, A.; Khalidova, O.; Krasnický, D.; Lagomarsino, V.; Lansonneur, P.; Lebrun, P.; Malbrunot, C.; Mariazzi, S.; Marton, J.; Matveev, V.; Mazzotta, Z.; Müller, S. R.; Nebbia, G.; Nedelec, P.; Oberthaler, M.; Pacifico, N.; Pagano, D.; Penasa, L.; Petracek, V.; Prelz, F.; Prevedelli, M.; Rienaecker, B.; Robert, J.; Røhne, O. M.; Rotondi, A.; Sandaker, H.; Santoro, R.; Smestad, L.; Sorrentino, F.; Testera, G.; Tietje, I. C.; Widmann, E.; Yzombard, P.; Zimmer, C.; Zmeskal, J.; Zurlo, N.

2018-03-01

The efficient production of cold antihydrogen atoms in particle traps at CERN's Antiproton Decelerator has opened up the possibility of performing direct measurements of the Earth's gravitational acceleration on purely antimatter bodies. The goal of the AEgIS collaboration is to measure the value of g for antimatter using a pulsed source of cold antihydrogen and a Moiré deflectometer/Talbot-Lau interferometer. The same antihydrogen beam is also very well suited to measuring precisely the ground-state hyperfine splitting of the anti-atom. The antihydrogen formation mechanism chosen by AEgIS is resonant charge exchange between cold antiprotons and Rydberg positronium. A series of technical developments regarding positrons and positronium (Ps formation in a dedicated room-temperature target, spectroscopy of the n=1-3 and n=3-15 transitions in Ps, Ps formation in a target at 10 K inside the 1 T magnetic field of the experiment) as well as antiprotons (high-efficiency trapping of ?, radial compression to sub-millimetre radii of mixed ? plasmas in 1 T field, high-efficiency transfer of ? to the antihydrogen production trap using an in-flight launch and recapture procedure) were successfully implemented. Two further critical steps that are germane mainly to charge exchange formation of antihydrogen-cooling of antiprotons and formation of a beam of antihydrogen-are being addressed in parallel. The coming of ELENA will allow, in the very near future, the number of trappable antiprotons to be increased by more than a factor of 50. For the antihydrogen production scheme chosen by AEgIS, this will be reflected in a corresponding increase of produced antihydrogen atoms, leading to a significant reduction of measurement times and providing a path towards high-precision measurements. This article is part of the Theo Murphy meeting issue `Antiproton physics in the ELENA era'.

Cavities in molecular liquids and the theory of hydrophobic solubilities

NASA Technical Reports Server (NTRS)

Pohorille, A.; Pratt, L. R.; MacElroy, R. (Principal Investigator)

1990-01-01

Thermal configurational data on neat liquids are used to obtain the work of formation of hard spherical cavities of atomic size in six molecular solvents: n-hexane, n-dodecane, n-undecyl alcohol, chloroform, carbon tetrachloride, and water. These results are used to test a recent suggestion that the differences between nonaqueous solvents and liquid water in solvation of inert gases are not principally due to the hydrogen-bonded structure of liquid water but rather to the comparatively small size of the water molecule. The frequencies of occurrence of cavities in liquid water can be meaningfully distinguished from those in the organic solvents. Liquid water has a larger fractional free volume, but that free volume is distributed in smaller packets. With respect to cavity work, water is compared to a solvent of the same molecular density and composed of hard spheres of the same size as the water molecule. That comparison indicates that the hard-sphere liquid finds more ways to configure its free volume in order to accommodate an atomic solute of substantial size and thus, would be more favorable solvent for inert gases. The scaled particle model of inert gas solubility in liquid water predicts cavity works 20% below the numerical data for TIP4P water at 300 K and 1.0 g/cm3 for cavity radii near 2.0 angstroms. It is argued that the sign of this difference is just the sign that ought to be expected and that the magnitude of this difference measures structural differences between water and the directly comparable hard-sphere liquid. In conjunction with previous data, these results indicate that atomic sized cavities should be considered submacroscopic.

SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomolecules.

PubMed

Bardhan, Jaydeep; Park, Sanghyun; Makowski, Lee

2009-10-01

This paper describes a computational approach to estimating wide-angle X-ray solution scattering (WAXS) from proteins, which has been implemented in a computer program called SoftWAXS. The accuracy and efficiency of SoftWAXS are analyzed for analytically solvable model problems as well as for proteins. Key features of the approach include a numerical procedure for performing the required spherical averaging and explicit representation of the solute-solvent boundary and the surface of the hydration layer. These features allow the Fourier transform of the excluded volume and hydration layer to be computed directly and with high accuracy. This approach will allow future investigation of different treatments of the electron density in the hydration shell. Numerical results illustrate the differences between this approach to modeling the excluded volume and a widely used model that treats the excluded-volume function as a sum of Gaussians representing the individual atomic excluded volumes. Comparison of the results obtained here with those from explicit-solvent molecular dynamics clarifies shortcomings inherent to the representation of solvent as a time-averaged electron-density profile. In addition, an assessment is made of how the calculated scattering patterns depend on input parameters such as the solute-atom radii, the width of the hydration shell and the hydration-layer contrast. These results suggest that obtaining predictive calculations of high-resolution WAXS patterns may require sophisticated treatments of solvent.

Optimized Model Surfaces for Advanced Atomic Force Microscopy Studies of Surface Nanobubbles.

PubMed

Song, Bo; Zhou, Yi; Schönherr, Holger

2016-11-01

The formation of self-assembled monolayers (SAMs) of binary mixtures of 16-mercaptohexadecanoic acid (MHDA) and 1-octadecanethiol (ODT) on ultraflat template-stripped gold (TSG) surfaces was systematically investigated to clarify the assembly behavior, composition, and degree of possible phase segregation in light of atomic force microscopy (AFM) studies of surface nanobubbles on these substrates. The data for SAMs on TSG were compared to those obtained by adsorption on rough evaporated gold, as reported in a previous study. Quartz crystal microbalance and surface plasmon resonance data acquired in situ on TSG indicate that similar to SAM formation on conventional evaporated gold substrates ODT and MHDA form monolayers and bilayers, respectively. The second layer on MHDA, whose formation is attributed to hydrogen bonding, can be easily removed by adequate rinsing with water. The favorable agreement of the grazing incidence reflection Fourier transform infrared (GIR FTIR) spectroscopy and contact angle data analyzed with the Israelachvili-Gee model suggests that the binary SAMs do not segregate laterally. This conclusion is fully validated by high-resolution friction force AFM observations down to a length scale of 8-10 nm, which is much smaller than the typical observed surface nanobubble radii. Finally, correspondingly functionalized TSG substrates are shown to be valuable supports for studying surface nanobubbles by AFM in water and for addressing the relation between surface functionality and nanobubble formation and properties.

The electronic donation and frequency shifts on the YCCH⋯BH4- boron-bonded complexes (Y = H, CH3, CF3 and CCl3)

NASA Astrophysics Data System (ADS)

Pordeus, Renato Q.; Rego, Danilo G.; Oliveira, Boaz G.

2015-06-01

In this theoretical work, the tetrahydroborate ion (BH4-) was used as proton acceptor in the formation of the YCC-H⋯BH4- complexes (Y = H, CH3, CCl3 and CF3). Using B3LYP/6-311++G(d,p) level of theory, the results of structure corroborate with the analyses of infrared spectra showing that the changes in the bond lengths are in good agreement with the frequency shifts of the HCC-H, H3CCC-H, Cl3CCC-H and F3CCC-H proton donors. Based on the calculations carried out by the Quantum Theory of Atoms in Molecules (QTAIM), the reductions of electronic density corroborate with the red shifts in the frequencies of the C-H bonds. In addition to that, the C-H bonds are polarized because the contributions of s orbital diminish whereas of p increase. In line with this, the variations on the atomic radii computed via QTAIM calculations show that carbon outweigh hydrogen as follows (ΔrC > ΔrH). This scenario is indirectly supported by the Bent's rule of the chemical bonding. Although the interaction energies (corrected with BSSE and ZPE) vary between -19 and -67 kJ mol-1, these complexes interact without covalent character.

The electronic donation and frequency shifts on the YCCH⋯BH₄⁻ boron-bonded complexes (Y=H, CH₃, CF₃ and CCl₃).

PubMed

Pordeus, Renato Q; Rego, Danilo G; Oliveira, Boaz G

2015-06-15

In this theoretical work, the tetrahydroborate ion (BH4(-)) was used as proton acceptor in the formation of the YCC-H⋯BH4(-) complexes (Y=H, CH3, CCl3 and CF3). Using B3LYP/6-311++G(d,p) level of theory, the results of structure corroborate with the analyses of infrared spectra showing that the changes in the bond lengths are in good agreement with the frequency shifts of the HCC-H, H3CCC-H, Cl3CCC-H and F3CCC-H proton donors. Based on the calculations carried out by the Quantum Theory of Atoms in Molecules (QTAIM), the reductions of electronic density corroborate with the red shifts in the frequencies of the C-H bonds. In addition to that, the C-H bonds are polarized because the contributions of s orbital diminish whereas of p increase. In line with this, the variations on the atomic radii computed via QTAIM calculations show that carbon outweigh hydrogen as follows (ΔrC>ΔrH). This scenario is indirectly supported by the Bent's rule of the chemical bonding. Although the interaction energies (corrected with BSSE and ZPE) vary between -19 and -67 kJ mol(-1), these complexes interact without covalent character. Copyright © 2015 Elsevier B.V. All rights reserved.

Kinetic model of the bichromatic dark trap for atoms

NASA Astrophysics Data System (ADS)

Krasnov, I. V.

2017-08-01

A kinetic model of atom confinement in a bichromatic dark trap (BDT) is developed with the goal of describing its dissipative properties. The operating principle of the deep BDT is based on using the combination of multiple bichromatic cosine-Gaussian optical beams (CGBs) for creating high-potential barriers, which is described in our previous work (Krasnov 2016 Laser Phys. 26 105501). In the indicated work, particle motion in the BDT is described in terms of classical trajectories. In the present study, particle motion is analyzed by means of the Wigner function (phase-space distribution function (DF)), which allows one to properly take into account the quantum fluctuations of optical forces. Besides, we consider an improved scheme of the BDT, where CGBs create, apart from plane potential barriers, a narrow cooling layer. We find an asymptotic solution of the Fokker-Planck equation for the DF and show that the DF of particles deeply trapped in a BDT with a cooling layer is the Tsallis distribution with the effective temperature, which can be considerably lower than in a BDT without a cooling layer. Moreover, it can be adjusted by slightly changing the CGBs’ radii. We also study the effect of particle escape from the trap due to the scattering of resonant photons and show that the particle lifetime in a BDT can exceed several tens of hours when it is limited by photon scattering.

Fitted Hanbury-Brown Twiss radii versus space-time variances in flow-dominated models

NASA Astrophysics Data System (ADS)

Frodermann, Evan; Heinz, Ulrich; Lisa, Michael Annan

2006-04-01

The inability of otherwise successful dynamical models to reproduce the Hanbury-Brown Twiss (HBT) radii extracted from two-particle correlations measured at the Relativistic Heavy Ion Collider (RHIC) is known as the RHIC HBT Puzzle. Most comparisons between models and experiment exploit the fact that for Gaussian sources the HBT radii agree with certain combinations of the space-time widths of the source that can be directly computed from the emission function without having to evaluate, at significant expense, the two-particle correlation function. We here study the validity of this approach for realistic emission function models, some of which exhibit significant deviations from simple Gaussian behavior. By Fourier transforming the emission function, we compute the two-particle correlation function, and fit it with a Gaussian to partially mimic the procedure used for measured correlation functions. We describe a novel algorithm to perform this Gaussian fit analytically. We find that for realistic hydrodynamic models the HBT radii extracted from this procedure agree better with the data than the values previously extracted from the space-time widths of the emission function. Although serious discrepancies between the calculated and the measured HBT radii remain, we show that a more apples-to-apples comparison of models with data can play an important role in any eventually successful theoretical description of RHIC HBT data.

Fitted Hanbury-Brown-Twiss radii versus space-time variances in flow-dominated models

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

Frodermann, Evan; Heinz, Ulrich; Lisa, Michael Annan

2006-04-15

The inability of otherwise successful dynamical models to reproduce the Hanbury-Brown-Twiss (HBT) radii extracted from two-particle correlations measured at the Relativistic Heavy Ion Collider (RHIC) is known as the RHIC HBT Puzzle. Most comparisons between models and experiment exploit the fact that for Gaussian sources the HBT radii agree with certain combinations of the space-time widths of the source that can be directly computed from the emission function without having to evaluate, at significant expense, the two-particle correlation function. We here study the validity of this approach for realistic emission function models, some of which exhibit significant deviations from simplemore » Gaussian behavior. By Fourier transforming the emission function, we compute the two-particle correlation function, and fit it with a Gaussian to partially mimic the procedure used for measured correlation functions. We describe a novel algorithm to perform this Gaussian fit analytically. We find that for realistic hydrodynamic models the HBT radii extracted from this procedure agree better with the data than the values previously extracted from the space-time widths of the emission function. Although serious discrepancies between the calculated and the measured HBT radii remain, we show that a more apples-to-apples comparison of models with data can play an important role in any eventually successful theoretical description of RHIC HBT data.« less

A new possible picture of the hadron structure

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

Pokrovsky, Yury E.

A new chiral-scale invariant version of the bag model (CSB) is developed and applied to calculations of masses and radii for single bag states. The mass formula of the CSB model contains no free parameters and connects masses and radii of the bags with fundamental QCD scales, namely with {lambda}{sub QCD}, , , and quark masses. For high angular momentum states the CSB model well describes hadron Regge trajectories and predicts thin flux tubes with R{sub tube}{approx_equal}0.25 fm close to the small tube radii introduced a posteriori in modern models. For low angular momentum states this model predicts smallmore » radii of the bags R{sub bag}{approx_equal}0.25 fm close to the radii associated with constituent quarks. Masses of the lowest angular momentum bags are obtained close to the data for well known hadron resonances ({pi}(1300), {omega}(1420), N(1440),{delta}(1600), etc.). These resonances are predicted to be almost single bag states. But ground states of SU(3) hadrons (N(940), {pi}(140), etc.) are treated as strongly bounded multi bag states--BagBag-mesons, and BagBagBag-baryons like in the old Fermi, Yang, and Sakata models. As well, this model predicts the low mass excitations of SU(3) hadrons newly observed for nucleons at the following masses 1004, 1044, and 1094 MeV.« less

Dependence of Fusion Barrier Heights on the Difference of Proton and Neutron Radii

NASA Astrophysics Data System (ADS)

Dobrowolski, A.; Pomorski, K.; Bartel, J.

2005-04-01

Using the Skyrme effective nucleon--nucleon interaction together with the semiclassical Extended Thomas--Fermi approach (ETF) we investigate the relative change of the fusion barrier heights for the reaction 16O+208Pb as function of the nuclear proton or neutron radii of the colliding nuclei.

Acceleration mechanisms for energetic particles in the earth's magnetosphere

NASA Technical Reports Server (NTRS)

Schiferl, S.; Fan, C. Y.; Hsieh, K. C.; Erickson, K. N.; Gloeckler, G.

1982-01-01

By analyzing data on energetic particle fluxes measured simultaneously with detector systems on several earth satellites, signatures of different acceleration mechanisms for these particles were searched for. One of the samples is an event observed on ATS-6 and IMP-7. IMP-7 was in the dusk quarter at 38 earth radii while ATS-6 was located at local midnight at a distance of 6.6 earth radii. Although the flux variations as observed on the two spacecraft both showed 1.5 min periodicity, there was a 40-second time lag with IMP-7 behind. The results indicate that the particles are accelerated by magnetic field line annihilation, with the x-point located at about 10 earth radii.

Problems with the Baade-Wesselink method

NASA Technical Reports Server (NTRS)

Bohm-Vitense, E.; Garnavich, P.; Lawler, M.; Mena-Werth, J.; Morgan, S.

1989-01-01

The discrepancy noted in radii obtained by the Baade-Wesselink method when different colors are used to determine the effective temperatures is explored. The discrepancy is found to be due to an inconsistency in the applied temperature-color calibrations. The assumption of the maximum likelihood method that beta (the effective temperature + 0.1 times the bolometric correction) is a linear function of the color is valid for the B-V and V-I colors, but not for the V-R colors. It is suggested that the errors introduced by the nonlinearity in the relation between beta and the V-R colors will produce radii which are too large. The radii derived from the V-B colors appear to be too small.

Studies of the Virgo Cluster. I - Photometry of 109 galaxies near the cluster center to serve as standards

NASA Technical Reports Server (NTRS)

Sandage, A.; Tarenghi, M.; Binggeli, B.

1984-01-01

Attention is given to the technical aspects of photometric measurements of 109 galaxies near the center of the Virgo Cluster, noting various types of radii and surface brightness for about 50 E and dE galaxies in the sample that range in absolute magnitude from -20 to -12. These data are combined with data from the literature for giant E and dwarf E galaxies in the Local Group to study the systematic properties of E galaxies over a range of one million luminosities. The radial intensity profiles derived are fitted to the manifold of King (1978) models to derive model-dependent central surface brightness, core radii, and cutoff radii.

Determination of mechanical properties of excised dog radii from lateral vibration experiments

NASA Technical Reports Server (NTRS)

Thompson, G. A.; Anliker, M.; Young, D. R.

1973-01-01

Experimental data which can be used as a guideline in developing a mathematical model for lateral vibrations of whole bone are reported. The study used wet and dry dog radii mounted in a cantilever configuration. Data are also given on the mechanical, geometric, and viscoelastic properties of bones.

Bridge-in-a-Backpack(TM). Task 2.1 and 2.2 : investigate alternative shapes with varying radii.

DOT National Transportation Integrated Search

2015-02-01

This report includes fulfillment of Tasks 2.1 and 2.2 of a multi-task contract to further enhance concrete filled FRP : tubes, or the Bridge in a Backpack. Task 2 is an investigation of alternative shapes for the FRP tubes with varying : radii. Task ...

Relations among Five Radii of Circles in a Triangle, Its Sides and Other Segments

ERIC Educational Resources Information Center

Sigler, Avi; Stupel, Moshe; Flores, Alfinio

2017-01-01

Students use GeoGebra to explore the mathematical relations among different radii of circles in a triangle (circumcircle, incircle, excircles) and the sides and other segments in the triangle. The more formal mathematical development of the relations that follows the explorations is based on known geometrical properties, different formulas…

Photometric Study of Fourteen Low-mass Binaries

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

Korda, D.; Zasche, P.; Wolf, M.

2017-07-01

New CCD photometric observations of fourteen short-period low-mass eclipsing binaries (LMBs) in the photometric filters I, R, and V were used for a light curve analysis. A discrepancy remains between observed radii and those derived from the theoretical modeling for LMBs, in general. Mass calibration of all observed LMBs was performed using only the photometric indices. The light curve modeling of these selected systems was completed, yielding the new derived masses and radii for both components. We compared these systems with the compilation of other known double-lined LMB systems with uncertainties of masses and radii less then 5%, which includesmore » 66 components of binaries where both spectroscopy and photometry were combined together. All of our systems are circular short-period binaries, and for some of them, the photospheric spots were also used. A purely photometric study of the light curves without spectroscopy seems unable to achieve high enough precision and accuracy in the masses and radii to act as meaningful test of the M–R relation for low-mass stars.« less

Fundamental Stellar Properties of M-Dwarfs from the CHARA Array

NASA Astrophysics Data System (ADS)

Berger, D. H.; Gies, D. R.; McAlister, H. A.; ten Brummelaar, T. A.; Henry, T. J.; Sturmann, J.; Sturmann, L.; Turner, N. H.; Ridgway, S. T.; Aufdenberg, J. P.; Mérand, A. M.

2005-12-01

We report the angular diameters of six M dwarfs ranging in spectral type from M1.0 V to M3.0 V measured with Georgia State University's CHARA Array, a long-baseline optical interferometer located at Mount Wilson Observatory. Observations were made with the longest baselines in the near infrared K'-band and yielded angular diameters less than one milliarcsecond. Using an iterative process combining parallaxes from the NStars program and photometrically-derived bolometric luminosities and masses, we calculated effective temperatures, surface gravities, and stellar radii. Our results are consistent with other empirical measurements of M-dwarf radii, but found that current models underestimate the true stellar radii by up to 15-20%. We suggest that theoretical models for low mass stars may be lacking an opacity source that alters the computed stellar radii. Science operations at the Array are supported by the National Science Foundation through NSF Grant AST--0307562 and by Georgia State University through the College of Arts and Sciences and the Office of the Vice President for Research. Financial support for DHB was provided by the National Science Foundation through grant AST--0205297.

Electron pitch angle distributions throughout the magnetosphere as observed on Ogo 5.

NASA Technical Reports Server (NTRS)

West, H. I., Jr.; Buck, R. M.; Walton, J. R.

1973-01-01

A survey of the equatorial pitch angle distributions of energetic electrons is provided for all local times out to radial distances of 20 earth radii on the night side of the earth and to the magnetopause on the day side of the earth. In much of the inner magnetosphere and in the outer magnetosphere on the day side of the earth, the normal loss cone distribution prevails. The effects of drift shell splitting - i.e., the appearance of pitch angle distributions with minimums at 90 deg, called butterfly distributions - become apparent in the early afternoon magnetosphere at extended distances, and the distribution is observed in to 5.5 earth radii in the nighttime magnetosphere. Inside about 9 earth radii the pitch angle effects are quite energy-dependent. Beyond about 9 earth radii in the premidnight magnetosphere during quiet times the butterfly distribution is often observed. It is shown that these electrons cannot survive a drift to dawn without being considerably modified. The role of substorm activity in modifying these distributions is identified.

Electronegativity effects and single covalent bond lengths of molecules in the gas phase.

PubMed

Lang, Peter F; Smith, Barry C

2014-06-07

This paper discusses in detail the calculation of internuclear distances of heteronuclear single bond covalent molecules in the gaseous state. It reviews briefly the effect of electronegativity in covalent bond length. A set of single bond covalent radii and electronegativity values are proposed. Covalent bond lengths calculated by an adapted form of a simple expression (which calculated internuclear separation of different Group 1 and Group 2 crystalline salts to a remarkable degree of accuracy) show very good agreement with observed values. A small number of bond lengths with double bonds as well as bond lengths in the crystalline state are calculated using the same expression and when compared with observed values also give good agreement. This work shows that covalent radii are not additive and that radii in the crystalline state are different from those in the gaseous state. The results also show that electronegativity is a major influence on covalent bond lengths and the set of electronegativity scale and covalent radii proposed in this work can be used to calculate covalent bond lengths in different environments that have not yet been experimentally measured.

Measurements of the Total Reaction Cross Sections for 6,8He and 8,9Li Nuclei with Energies of (25-45)A Mev on natAl, natTa and natPb

NASA Astrophysics Data System (ADS)

Erdemchimeg, B.; Artukh, A. G.; Klygin, S. A.; Kononenko, G. A.; Kyslukha, D. A.; Sereda, Yu. M.; Vorontzov, A. N.; Lukyanov, S. M.; Penionzhkevich, Yu. E.; Davaa, S.; Khuukhenkhuu, G.; Borcea, C.; Rotaru, F.; Stanoiu, M.; Martina, L.; Saillant, F.; Raine, B.

2015-06-01

The total nuclear reaction cross sections (σR) measurements have long been of interest since they tell us about the radii and transparency of these nuclei and give clues to understanding of their structure. For studies of unstable nuclei, in particular the physical properties of halo nuclei and the neutron skin thickness, it is valuable to know not only the root-mean-square radii (rms) but it is important to know the details of nucleusnucleus potentials. Our goal was to study total reaction cross sections (σR) by a direct measurement technique (the so-called beam attenuation or transmission method) which allows to extract model independent information. The interaction radii for 6He, 8,9Li were extracted, which are in agreement with the previous measurement at the similar energies (about a few tens of AMeV) Our results show a tendency of increasing radii as function of mass of the secondary targets.

Extraction of effective solid-liquid interfacial free energies for full 3D solid crystallites from equilibrium MD simulations

DOE PAGES

Zepeda-Ruiz, L. A.; Sadigh, B.; Chernov, A. A.; ...

2017-11-21

Molecular dynamics simulations of an embedded atom copper system in the NPH ensemble are used to study the e ective solid-liquid interfacial free energy of quasispherical solid crystals within a liquid. This is within the larger context of MD simulations of this system undergoing solidi cation, where single individually-prepared crystallites of di erent sizes grow until they reach a thermodynamically stable nal state. The resulting equilibrium shapes possess the full structural details expected for solids with weakly anisotropic surface free energies (in these cases, ~5 % radial attening and rounded [111] octahedral faces). The simplifying assumption of sphericity and perfectmore » isotropy leads to an e ective interfacial free energy as appearing in the Gibbs-Thomson equation, which we determine to be ~179 erg/cm 2, roughly independent of crystal size for radii in the 50 - 250 A range. This quantity may be used in atomistically-informed models of solidi cation kinetics for this system.« less

Evaluating the MMI diagnostic on OMEGA direct-drive shots

NASA Astrophysics Data System (ADS)

Baumgaertel, J. A.; Bradley, P. A.; Cobble, J. A.; Fincke, J.; Hakel, P.; Hsu, S. C.; Kanzleiter, R.; Krasheninnikova, N. S.; Murphy, T. J.; Schmitt, M. J.; Shah, R.; Tregillis, I.; Obrey, K.; Mancini, R. C.; Joshi, T.; Johns, H.; Mayes, D.

2013-10-01

The Defect-Induced Mix Experiment (DIME) project utilized Multiple Monochromatic Imagers (MMI) on symmetric and polar direct-drive shots conducted on the OMEGA laser. The MMI provides spatially and spectrally resolved data of capsule implosions and resultant dopant emissions. The capsules had radii of 430 μm, with CH shells that included an inner layer doped with 1-2 atom % Ti, and a gas fill of 5 atm deuterium. Simulations of the target implosion by codes HYDRA and RAGE are post-processed with self-emission and MMI synthetic diagnostic tools and quantitatively compared to the MMI data to determine the utility of using it for mix model validation. MMI data shows the location of dopants, which are used to diagnose mix. Sensitivities of synthetic MMI images and yield to laser drive and mix levels are explored. Finally, RAGE results, clean and with mix, are compared with time-dependent streak camera data. This work is supported by US DOE/NNSA, performed at LANL, operated by LANS LLC under contract DE-AC52-06NA25396.

Shape of the terrestrial plasma sheet in the near-Earth magnetospheric tail as imaged by the Interstellar Boundary Explorer

DOE PAGES

Dayeh, M. A.; Fuselier, S. A.; Funsten, H. O.; ...

2015-04-11

We present remote, continuous observations from the Interstellar Boundary Explorer of the terrestrial plasma sheet location back to -16 Earth radii (R E) in the magnetospheric tail using energetic neutral atom emissions. The time period studied includes two orbits near the winter and summer solstices, thus associated with large negative and positive dipole tilt, respectively. Continuous side-view images reveal a complex shape that is dominated mainly by large-scale warping due to the diurnal motion of the dipole axis. Superposed on the global warped geometry are short-time fluctuations in plasma sheet location that appear to be consistent with plasma sheet flappingmore » and possibly twisting due to changes in the interplanetary conditions. We conclude that the plasma sheet warping due to the diurnal motion dominates the average shape of the plasma sheet. Over short times, the position of the plasma sheet can be dominated by twisting and flapping.« less

Visualizing Electric Fields at Au(111) Step Edges via Tip-Enhanced Raman Scattering

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

None, None

Tip-enhanced Raman scattering (TERS) can be used to image plasmon-enhanced local electric fields on the nanoscale. This is illustrated through ambient TERS measurements recorded using silver atomic force microscope tips coated with 4-mercaptobenzonitrile molecules and used to image step edges on an Au(111) surface. The observed 2D TERS images uniquely map electric fields localized at Au(111) step edges following 671-nm excitation. We establish that our measurements are not only sensitive to spatial variations in the enhanced electric fields but also to their vector components. We also experimentally demonstrate that (i) few nanometer precision is attainable in TERS nanoscopy using corrugatedmore » tips with nominally radii on the order of 100-200 nm, and (ii) TERS signals do not necessarily exhibit the expected E4 dependence. Overall, we illustrate the concept of electric field imaging via TERS and establish the connections between our observations and conventional TERS chemical imaging measurements.« less

Interfacial diffusion aided deformation during nanoindentation

DOE PAGES

Samanta, Amit; E., Weinan

2015-07-06

Nanoindentation is commonly used to quantify the mechanical response of material surfaces. Despite its widespread use, a detailed understanding of the deformation mechanisms responsible for plasticity during these experiments has remained elusive. Nanoindentation measurements often show stress values close to a material’s ideal strength which suggests that dislocation nucleation and subsequent dislocation activity dominates the deformation. However, low strain-rate exponents and small activation volumes have also been reported which indicates high temperature sensitivity of the deformation processes. Using an order parameter aided temperature accelerated sampling technique called adiabatic free energy dynamics [J. B. Abrams and M. E. Tuckerman, J. Phys.more » Chem. B, 112, 15742 (2008)], and molecular dynamics we have probed the diffusive mode of deformation during nanoindentation. Localized processes such as surface vacancy and ad-atom pair formation, vacancy diffusion are found to play an important role during indentation. Furthermore, our analysis suggests a change in the dominant deformation mode from dislocation mediated plasticity to diffusional flow at high temperatures, slow indentation rates and small indenter tip radii.« less

Structural, electronic properties and stability of metatitanic acid (H 2TiO 3) nanotubes

NASA Astrophysics Data System (ADS)

Enyashin, A. N.; Denisova, T. A.; Ivanovskii, A. L.

2009-12-01

Quite recently, metatitanic acid (H 2TiO 3) has been successfully prepared, which extended the family of known titanic acids H 2Ti nO 2n+1 ( n = 2, 3 and 4). Here the atomic models for nanotubes (NTs) of metatitanic acid are designed and their cohesive and electronic properties are considered depending on their chirality and radii by means of density-functional theory-tight-binding (DFTB) method. Our main findings are that the proposed H 2TiO 3 tubes are stable and that all these NTs will be the insulators (independently from their chirality and the diameters) with forbidden gaps at about ˜4.6 eV. We have found also that aforementioned properties of predicted H 2TiO 3 NTs are very similar with those of recently prepared fabricated nanotubes of polytitanic acids; thus, it is possible to expect that the proposed H 2TiO 3 tubular materials may be fabricated.

Cadmium and calcium uptake in the mollusc donax rugosus and effect of a calcium channel blocker

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

Sidoumou, Z.; Gnassia-Barelli, M.; Romeo, M.

Donax rugosus, a common bivalve mollusc in the coastal waters of Mauritania, has been studied for trace metal concentrations as a function of sampling site (from South of Mauritania to the North of this country) and of season. In this paper, the uptake of cadmium was experimentally studied in the different organs of D. rugosus. Since metals such as cadmium, copper and mercury may alter calcium homeostasis, calcium uptake was also studied in the animals treated with cadmium. Since calcium is taken up through specific channels, it appears that metals inhibit Ca uptake by interacting with these channels in themore » plasma membrane. Cadmium and calcium have very similar atomic radii, thus cadmium may be taken up through the calcium channels, particularly through voltage-dependent channels. The uptake of cadmium and calcium by D. Rugosus was therefore also studied in the presence of the calcium channel blocker verapamil. 13 refs., 3 figs., 1 tab.« less

Growth of carbon nanofibers on tipless cantilevers: process development and applications in scanning probe microscopy

NASA Astrophysics Data System (ADS)

Cui, Hongtao; Kalinin, Sergei; Yang, Xiaojing; Lowndes, Douglas

2005-03-01

Carbon nanofibers (CNFs) are grown on tipless cantilevers as probe tips for scanning probe microscopy. A catalyst dot pattern is formed on the surface of the tipless cantilever using electron beam lithography and CNF growth is performed in a direct-current plasma enhanced chemical vapor deposition reactor. Because the CNF is aligned with the electric field near the edge of the cantilever during growth, it is tilted with respect to the cantilever surface, which compensates partially for the probe tilt introduced when used in scanning probe microscopy. CNFs with different shapes and tip radii can be produced by variation of experimental conditions. The tip geometries of the CNF probes are defined by their catalyst particles, whose magnetic nature also imparts a capability for imaging magnetic samples. We have demonstrated their use in both atomic force and magnetic force surface imaging. These probe tips may provide information on magnetic phenomena at the nanometer scale in connection with the drive for ever-increasing storage density of magnetic hard disks.

Stokes–Einstein relation and excess entropy in Al-rich Al-Cu melts

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

Pasturel, A.; Jakse, N.

We investigate the conditions for the validity of the Stokes-Einstein relation that connects diffusivity to viscosity in melts using entropy-scaling relationships developed by Rosenfeld. Employing ab initio molecular dynamics simulations to determine transport and structural properties of liquid Al{sub 1−x}Cu{sub x} alloys (with composition x ≤ 0.4), we first show that reduced self-diffusion coefficients and viscosities, according to Rosenfeld's formulation, scale with the two-body approximation of the excess entropy except the reduced viscosity for x = 0.4. Then, we use our findings to evidence that the Stokes-Einstein relation using effective atomic radii is not valid in these alloys while its validity can be relatedmore » to the temperature dependence of the partial pair-excess entropies of both components. Finally, we derive a relation between the ratio of the self-diffusivities of the components and the ratio of their pair excess entropies.« less

Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

Exo-Transmit: Radiative transfer code for calculating exoplanet transmission spectra

NASA Astrophysics Data System (ADS)

Kempton, Eliza M.-R.; Lupu, Roxana E.; Owusu-Asare, Albert; Slough, Patrick; Cale, Bryson

2016-11-01

Exo-Transmit calculates the transmission spectrum of an exoplanet atmosphere given specified input information about the planetary and stellar radii, the planet's surface gravity, the atmospheric temperature-pressure (T-P) profile, the location (in terms of pressure) of any cloud layers, the composition of the atmosphere, and opacity data for the atoms and molecules that make up the atmosphere. The code solves the equation of radiative transfer for absorption of starlight passing through the planet's atmosphere as it transits, accounting for the oblique path of light through the planetary atmosphere along an Earth-bound observer's line of sight. The fraction of light absorbed (or blocked) by the planet plus its atmosphere is calculated as a function of wavelength to produce the wavelength-dependent transmission spectrum. Functionality is provided to simulate the presence of atmospheric aerosols in two ways: an optically thick (gray) cloud deck can be generated at a user-specified height in the atmosphere, and the nominal Rayleigh scattering can be increased by a specified factor.

Lattice thermal conductivity of multi-component alloys

DOE PAGES

Caro, Magdalena; Béland, Laurent K.; Samolyuk, German D.; ...

2015-06-12

High entropy alloys (HEA) have unique properties including the potential to be radiation tolerant. These materials with extreme disorder could resist damage because disorder, stabilized by entropy, is the equilibrium thermodynamic state. Disorder also reduces electron and phonon conductivity keeping the damage energy longer at the deposition locations, eventually favoring defect recombination. In the short time-scales related to thermal spikes induced by collision cascades, phonons become the relevant energy carrier. In this paper, we perform a systematic study of phonon thermal conductivity in multiple component solid solutions represented by Lennard-Jones (LJ) potentials. We explore the conditions that minimize phonon meanmore » free path via extreme alloy complexity, by varying the composition and the elements (differing in mass, atomic radii, and cohesive energy). We show that alloy complexity can be tailored to modify the scattering mechanisms that control energy transport in the phonon subsystem. Finally, our analysis provides a qualitative guidance for the selection criteria used in the design of HEA alloys with low phonon thermal conductivity.« less

Extraction of effective solid-liquid interfacial free energies for full 3D solid crystallites from equilibrium MD simulations

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

Zepeda-Ruiz, L. A.; Sadigh, B.; Chernov, A. A.

Molecular dynamics simulations of an embedded atom copper system in the NPH ensemble are used to study the e ective solid-liquid interfacial free energy of quasispherical solid crystals within a liquid. This is within the larger context of MD simulations of this system undergoing solidi cation, where single individually-prepared crystallites of di erent sizes grow until they reach a thermodynamically stable nal state. The resulting equilibrium shapes possess the full structural details expected for solids with weakly anisotropic surface free energies (in these cases, ~5 % radial attening and rounded [111] octahedral faces). The simplifying assumption of sphericity and perfectmore » isotropy leads to an e ective interfacial free energy as appearing in the Gibbs-Thomson equation, which we determine to be ~179 erg/cm 2, roughly independent of crystal size for radii in the 50 - 250 A range. This quantity may be used in atomistically-informed models of solidi cation kinetics for this system.« less

Highly improved hydration level sensing properties of copper oxide films with sodium and potassium doping

NASA Astrophysics Data System (ADS)

Sahin, Bünyamin; Kaya, Tolga

2016-01-01

In this study, un-doped, Na-doped, and K-doped nanostructured CuO films were successfully synthesized by the successive ionic layer adsorption and reaction (SILAR) technique and then characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and current-voltage (I-V) measurements. Structural properties of the CuO films were affected from doping. The XRD pattern indicates the formation of polycrystalline CuO films with no secondary phases. Furthermore, doping affected the crystal structure of the samples. The optimum conductivity values for both Na and K were obtained at 4 M% doping concentrations. The comparative hydration level sensing properties of the un-doped, Na-doped, and K-doped CuO nanoparticles were also investigated. A significant enhancement in hydration level sensing properties was observed for both 4 M% Na and K-doped CuO films for all concentration levels. Detailed discussions were reported in the study regarding atomic radii, crystalline structure, and conductivity.

Tidal origin of NGC 1427A in the Fornax cluster

NASA Astrophysics Data System (ADS)

Lee-Waddell, K.; Serra, P.; Koribalski, B.; Venhola, A.; Iodice, E.; Catinella, B.; Cortese, L.; Peletier, R.; Popping, A.; Keenan, O.; Capaccioli, M.

2018-02-01

We present new HI observations from the Australia Telescope Compact Array and deep optical imaging from OmegaCam on the VLT Survey Telescope of NGC 1427A, an arrow-shaped dwarf irregular galaxy located in the Fornax cluster. The data reveal a star-less HI tail that contains ˜10 per cent of the atomic gas of NGC 1427A as well as extended stellar emission that shed new light on the recent history of this galaxy. Rather than being the result of ram pressure induced star formation, as previously suggested in the literature, the disturbed optical appearance of NGC 1427A has tidal origins. The galaxy itself likely consists of two individual objects in an advanced stage of merging. The HI tail may be made of gas expelled to large radii during the same tidal interaction. It is possible that some of this gas is subject to ram pressure, which would be considered a secondary effect and implies a north-west trajectory of NGC 1427A within the Fornax cluster.

Light Microscopy at Maximal Precision

NASA Astrophysics Data System (ADS)

Bierbaum, Matthew; Leahy, Brian D.; Alemi, Alexander A.; Cohen, Itai; Sethna, James P.

2017-10-01

Microscopy is the workhorse of the physical and life sciences, producing crisp images of everything from atoms to cells well beyond the capabilities of the human eye. However, the analysis of these images is frequently little more accurate than manual marking. Here, we revolutionize the analysis of microscopy images, extracting all the useful information theoretically contained in a complex microscope image. Using a generic, methodological approach, we extract the information by fitting experimental images with a detailed optical model of the microscope, a method we call parameter extraction from reconstructing images (PERI). As a proof of principle, we demonstrate this approach with a confocal image of colloidal spheres, improving measurements of particle positions and radii by 10-100 times over current methods and attaining the maximum possible accuracy. With this unprecedented accuracy, we measure nanometer-scale colloidal interactions in dense suspensions solely with light microscopy, a previously impossible feat. Our approach is generic and applicable to imaging methods from brightfield to electron microscopy, where we expect accuracies of 1 nm and 0.1 pm, respectively.

Temperature behaviour of the average size of nanoparticle lattices co-deposited with an amorphous matrix. Analysis of Ge + Al2O3 and Ni + Al2O3 thin films

NASA Astrophysics Data System (ADS)

Mezzasalma, Stefano A.; Car, Tihomir; Nekić, Nikolina; Jerčinović, Marko; Buljan, Maja

2017-11-01

We theoretically interpret the thermal behaviour of the average radius versus substrate temperature of regular quantum dot/nanocluster arrays formed by sputtering semiconductor/metal atoms with oxide molecules. The analysis relies on a continuum theory for amorphous films with given surface quantities, perturbed by a nanoparticle lattice. An account of the basic thermodynamic contributions is given in terms of force-flux phenomenological coefficients of each phase (Ge, Ni, Al2O3). Average radii turn out to be expressible by a characteristic length scale and a dimensionless parameter, which mainly depend upon temperature through diffusion lengths, film pressures and finite-size corrections to interfacial tensions. The numerical agreement is good in both Ge (4 % ) and Ni (15.4 % ) lattices grown at temperatures ≤slant 800 K, despite the lower temperature behaviour of quantum dots seeming to suggest further driving forces taking part in such processes.

Communication: Modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions

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

Bardhan, Jaydeep P.; Knepley, Matthew G.

2014-10-07

We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley “bracelet” and “rod” test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, “Charge asymmetries in hydration of polar solutes,” J. Phys.more » Chem. B 112, 2405–2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry.« less

Electron avalanche structure determined by random walk theory

NASA Technical Reports Server (NTRS)

Englert, G. W.

1973-01-01

A self-consistent avalanche solution which accounts for collective long range Coulomb interactions as well as short range elastic and inelastic collisions between electrons and background atoms is made possible by a random walk technique. Results show that the electric field patterns in the early formation stages of avalanches in helium are close to those obtained from theory based on constant transport coefficients. Regions of maximum and minimum induced electrostatic potential phi are located on the axis of symmetry and within the volume covered by the electron swarm. As formation time continues, however, the region of minimum phi moves to slightly higher radii and the electric field between the extrema becomes somewhat erratic. In the intermediate formation periods the avalanche growth is slightly retarded by the high concentration of ions in the tail which oppose the external electric field. Eventually the formation of ions and electrons in the localized regions of high field strength more than offset this effect causing a very abrupt increase in avalanche growth.

Focused Study of Thermonuclear Bursts on Neutron Stars

NASA Astrophysics Data System (ADS)

Chenevez, Jérôme

2009-05-01

X-ray bursters form a class of Low Mass X-Ray Binaries where accreted material from a donor star undergoes rapid thermonuclear burning in the surface layers of a neutron star. The flux released can temporarily exceed the Eddington limit and drive the photosphere to large radii. Such photospheric radius expansion bursts likely eject nuclear burning ashes into the interstellar medium, and may make possible the detection of photoionization edges. Indeed, theoretical models predict that absorption edges from 58Fe at 9.2 keV, 60Zn and 62Zn at 12.2 keV should be detectable by the future missions Simbol-X and NuSTAR. A positive detection would thus probe the nuclear burning as well as the gravitational redshift from the neutron star. Moreover, likely observations of atomic X-ray spectral components reflected from the inner accretion disk have been reported. The high spectral resolution capabilities of the focusing X-ray telescopes may therefore make possible to differentiate between the potential interpretations of the X-ray bursts spectral features.

Surface structure in simple liquid metals: An orbital-free first-principles study

NASA Astrophysics Data System (ADS)

González, D. J.; González, L. E.; Stott, M. J.

2006-07-01

Molecular dynamics simulations of the liquid-vapor interfaces in simple sp-bonded liquid metals have been performed using first-principles methods. Results are presented for liquid Li, Na, K, Rb, Cs, Mg, Ba, Al, Tl, and Si at thermodynamic conditions near their respective triple points, for samples of 2000 particles in a slab geometry. The longitudinal ionic density profiles exhibit a pronounced stratification extending several atomic diameters into the bulk, which is a feature already experimentally observed in liquid K, Ga, In, Sn, and Hg. The wavelength of the ionic oscillations shows a good scaling with the radii of the associated Wigner-Seitz spheres. The structural rearrangements at the interface are analyzed in terms of the transverse pair correlation function, the coordination number, and the bond-angle distribution between nearest neighbors. The valence electronic density profile also shows (weaker) oscillations whose phase, with respect to those of the ionic profile, changes from opposite phase in the alkalis to almost in-phase for Si.

An atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations

NASA Astrophysics Data System (ADS)

Bernal, M. A.; Sikansi, D.; Cavalcante, F.; Incerti, S.; Champion, C.; Ivanchenko, V.; Francis, Z.

2013-12-01

In this paper, an atomistic geometrical model for the B-DNA configuration is explained. This model accounts for five organization levels of the DNA, up to the 30 nm chromatin fiber. However, fragments of this fiber can be used to construct the whole genome. The algorithm developed in this work is capable to determine which is the closest atom with respect to an arbitrary point in space. It can be used in any application in which a DNA geometrical model is needed, for instance, in investigations related to the effects of ionizing radiations on the human genetic material. Successful consistency checks were carried out to test the proposed model. Catalogue identifier: AEPZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEPZ_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1245 No. of bytes in distributed program, including test data, etc.: 6574 Distribution format: tar.gz Programming language: FORTRAN. Computer: Any. Operating system: Multi-platform. RAM: 2 Gb Classification: 3. Nature of problem: The Monte Carlo method is used to simulate the interaction of ionizing radiation with the human genetic material in order to determine DNA damage yields per unit absorbed dose. To accomplish this task, an algorithm to determine if a given energy deposition lies within a given target is needed. This target can be an atom or any other structure of the genetic material. Solution method: This is a stand-alone subroutine describing an atomic-resolution geometrical model of the B-DNA configuration. It is able to determine the closest atom to an arbitrary point in space. This model accounts for five organization levels of the human genetic material, from the nucleotide pair up to the 30 nm chromatin fiber. This subroutine carries out a series of coordinate transformations to find which is the closest atom containing an arbitrary point in space. Atom sizes are according to the corresponding van der Waals radii. Restrictions: The geometrical model presented here does not include the chromosome organization level but it could be easily build up by using fragments of the 30 nm chromatin fiber. Unusual features: To our knowledge, this is the first open source atomic-resolution DNA geometrical model developed for DNA-radiation interaction Monte Carlo simulations. In our tests, the current model took into account the explicit position of about 56×106 atoms, although the user may enhance this amount according to the necessities. Running time: This subroutine can process about 2 million points within a few minutes in a typical current computer.

Understanding the mass-radius relation for sub-Neptunes: radius as a proxy for composition

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

Lopez, Eric D.; Fortney, Jonathan J.

2014-09-01

Transiting planet surveys like Kepler have provided a wealth of information on the distribution of planetary radii, particularly for the new populations of super-Earth- and sub-Neptune-sized planets. In order to aid in the physical interpretation of these radii, we compute model radii for low-mass rocky planets with hydrogen-helium envelopes. We provide model radii for planets 1-20 M {sub ⊕}, with envelope fractions 0.01%-20%, levels of irradiation 0.1-1000 times Earth's, and ages from 100 Myr to 10 Gyr. In addition we provide simple analytic fits that summarize how radius depends on each of these parameters. Most importantly, we show that atmore » fixed H/He envelope fraction, radii show little dependence on mass for planets with more than ∼1% of their mass in their envelope. Consequently, planetary radius is to a first order a proxy for planetary composition, i.e., H/He envelope fraction, for Neptune- and sub-Neptune-sized planets. We recast the observed mass-radius relationship as a mass-composition relationship and discuss it in light of traditional core accretion theory. We discuss the transition from rocky super-Earths to sub-Neptune planets with large volatile envelopes. We suggest ∼1.75 R {sub ⊕} as a physically motivated dividing line between these two populations of planets. Finally, we discuss these results in light of the observed radius occurrence distribution found by Kepler.« less

Estimating the Turn-around Radii of Six Isolated Galaxy Groups in the Local Universe

NASA Astrophysics Data System (ADS)

Lee, Jounghun

2018-03-01

Estimates of the turn-around radii of six isolated galaxy groups in the nearby universe are presented. From the Tenth Data Release of the Sloan Digital Sky Survey, we first select those isolated galaxy groups at redshifts z ≤ 0.05 in the mass range [0.3–1] × {10}14 {h}-1 {M}ȯ whose nearest-neighbor groups are located at distances larger than 15 times their virial radii. Then, we search for a gravitationally interacting web-like structure around each isolated group, which appears as an inclined streak pattern in the anisotropic spatial distribution of the neighboring field galaxies. Out of 59 isolated groups, only seven are found to possess such web-like structures in their neighbor zones, but one of them turns out to be NGC 5353/4, whose turn-around radius was already measured in a previous work and was thus excluded from our analysis. Applying the Turn-around Radius Estimator algorithm devised by Lee et al. to the identified web-like structures of the remaining six target groups, we determine their turn-around radii and show that three out of the six targets have larger turn-around radii than the spherical bound limit predicted by Planck cosmology. We discuss possible sources of the apparent violations of the three groups, including the underestimated spherical bound limit due to the approximation of the turn-around mass by the virial mass.

Accuracy of specimen-specific nonlinear finite element analysis for evaluation of radial diaphysis strength in cadaver material.

PubMed

Matsuura, Yusuke; Kuniyoshi, Kazuki; Suzuki, Takane; Ogawa, Yasufumi; Sukegawa, Koji; Rokkaku, Tomoyuki; Thoreson, Andrew Ryan; An, Kai-Nan; Takahashi, Kazuhisa

2015-01-01

The feasibility of a user-specific finite element model for predicting the in situ strength of the radius after implantation of bone plates for open fracture reduction was established. The effect of metal artifact in CT imaging was characterized. The results were verified against biomechanical test data. Fourteen cadaveric radii were divided into two groups: (1) intact radii for evaluating the accuracy of radial diaphysis strength predictions with finite element analysis and (2) radii with a locking plate affixed for evaluating metal artifact. All bones were imaged with CT. In the plated group, radii were first imaged with the plates affixed (for simulating digital plate removal). They were then subsequently imaged with the locking plates and screws removed (actual plate removal). Fracture strength of the radius diaphysis under axial compression was predicted with a three-dimensional, specimen-specific, nonlinear finite element analysis for both the intact and plated bones (bones with and without the plate captured in the scan). Specimens were then loaded to failure using a universal testing machine to verify the actual fracture load. In the intact group, the physical and predicted fracture loads were strongly correlated. For radii with plates affixed, the physical and predicted (simulated plate removal and actual plate removal) fracture loads were strongly correlated. This study demonstrates that our specimen-specific finite element analysis can accurately predict the strength of the radial diaphysis. The metal artifact from CT imaging was shown to produce an overestimate of strength.

PubChem atom environments.

PubMed

Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H

2015-01-01

Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many seemingly due to erroneous interpretation of structures from patent data. Compared to fragmentation statistics published 40 years ago, the exponential growth in chemistry is mirrored in a nearly eightfold increase in the number of unique chemical fragments; however, this result is clearly an upper bound estimate as earlier studies employed structure sampling approaches and this study shows that a relatively high rate of atom fragments are found in only a single chemical structure (singletons). In addition, the percentage of singletons grows as the size of the chemical fragment is increased. The observed growth of the numbers of unique fragments over time suggests that many chemically possible connections of atom types to larger fragments have yet to be explored by chemists. A dramatic drop in the relative rate of increase of atom environments from smaller to larger fragments shows that larger fragments mainly consist of diverse combinations of a limited subset of smaller fragments. This is further supported by the observed concomitant increase of singleton atom environments. Combined, these findings suggest that there is considerable opportunity for chemists to combine known fragments to novel chemical compounds. The comparison of PubChem to an older study of known chemical structures shows noticeable differences. The changes suggest advances in synthetic capabilities of chemists to combine atoms in new patterns. Log-log plots of fragment incidence show small numbers of fragments are found in many structures and that large numbers of fragments are found in very few structures, with nearly half being novel using the methods in this work. The relative decrease in the count of new fragments as a function of size further suggests considerable opportunity for more novel chemicals exists. Lastly, the differences in atom environment diversity between PubChem Substance and Compound showcase the effect of PubChem standardization protocols, but also indicate that a normalization procedure for atom types, functional groups, and tautomeric/resonance forms based on atom environments is possible. The complete sets of atom types and atom environments are supplied as supporting information.

Research on the drag reduction performance induced by the counterflowing jet for waverider with variable blunt radii

NASA Astrophysics Data System (ADS)

Li, Shi-bin; Wang, Zhen-guo; Barakos, George N.; Huang, Wei; Steijl, Rene

2016-10-01

Waverider will endure the huge aero-heating in the hypersonic flow, thus, it need be blunt for the leading edge. However, the aerodynamic performance will decrease for the blunt waverider because of the drag hoik. How to improve the aerodynamic performance and reduce the drag and aero-heating is very important. The variable blunt radii method will improve the aerodynamic performance, however, the huge aero-heating and bow shock wave at the head is still serious. In the current study, opposing jet is used in the waverider with variable blunt radii to improve its performance. The three-dimensional coupled implicit Reynolds-averaged Navier-Stokes(RANS) equation and the two equation SST k-ω turbulence model have been utilized to obtain the flow field properties. The numerical method has been validated against the available experimental data in the open literature. The obtained results show that the L/D will drop 7-8% when R changes from 2 to 8. The lift coefficient will increase, and the drag coefficient almost keeps the same when the variable blunt radii method is adopted, and the L/D will increase. The variable blunt radii method is very useful to improve the whole characteristics of blunt waverider and the L/D can improve 3%. The combination of the variable blunt radii method and opposing jet is a novel way to improve the whole performance of blunt waverider, and L/D can improve 4-5%. The aperture as a novel way of opposing jet is suitable for blunt waverider and also useful to improve the aerodynamic and aerothermodynamic characteristics of waverider in the hypersonic flow. There is the optimal P0in/P0 that can make the detached shock wave reattach the lower surface again so that the blunt waverider can get the better aerodynamic performance.

Noninvasive microwave ablation zone radii estimation using x-ray CT image analysis.

PubMed

Weiss, Noam; Goldberg, S Nahum; Nissenbaum, Yitzhak; Sosna, Jacob; Azhari, Haim

2016-08-01

The aims of this study were to noninvasively and automatically estimate both the radius of the ablated liver tissue and the radius encircling the treated zone, which also defines where the tissue is definitely untreated during a microwave (MW) thermal ablation procedure. Fourteen ex vivo bovine fresh liver specimens were ablated at 40 W using a 14 G microwave antenna, for durations of 3, 6, 8, and 10 min. The tissues were scanned every 5 s during the ablation using an x-ray CT scanner. In order to estimate the radius of the ablation zone, the acquired images were transformed into a polar presentation by displaying the Hounsfield units (HU) as a function of angle and radius. From this polar presentation, the average HU radial profile was analyzed at each time point and the ablation zone radius was estimated. In addition, textural analysis was applied to the original CT images. The proposed algorithm identified high entropy regions and estimated the treated zone radius per time. The estimated ablated zone radii as a function of treatment durations were compared, by means of correlation coefficient and root mean square error (RMSE) to gross pathology measurements taken immediately post-treatment from similarly ablated tissue. Both the estimated ablation radii and the treated zone radii demonstrated strong correlation with the measured gross pathology values (R(2) ≥ 0.89 and R(2) ≥ 0.86, respectively). The automated ablation radii estimation had an average discrepancy of less than 1 mm (RMSE = 0.65 mm) from the gross pathology measured values, while the treated zone radii showed a slight overestimation of approximately 1.5 mm (RMSE = 1.6 mm). Noninvasive monitoring of MW ablation using x-ray CT and image analysis is feasible. Automatic estimations of the ablation zone radius and the radius encompassing the treated zone that highly correlate with actual ablation measured values can be obtained. This technique can therefore potentially be used to obtain real time monitoring and improve the clinical outcome.

Kepler-454b: Rocky or Not?

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2016-02-01

Small exoplanets tend to fall into two categories: the smallest ones are predominantly rocky, like Earth, and the larger ones have a lower-density, more gaseous composition, similar to Neptune. The planet Kepler-454b was initially estimated to fall between these two groups in radius. So what is its composition?Small-Planet DichotomyThough Kepler has detected thousands of planet candidates with radii between 1 and 2.7 Earth radii, we have only obtained precise mass measurements for 12 of these planets.Mass-radius diagram (click for a closer look!) for planets with radius 2.7 Earth radii and well-measured masses. The six smallest planets (and Venus and Earth) fall along a single mass-radius curve of Earth-like composition. The six larger planets (including Kepler-454b) have lower-density compositions. [Gettel et al. 2016]These measurements, however, show an interesting dichotomy: planets with radii less than 1.6 Earth radii have rocky, Earth-like compositions, following a single relation between their mass and radius. Planets between 2 and 2.7 Earth radii, however, have lower densities and dont follow a single mass-radius relation. Their low densities suggest they contain a significant fraction of volatiles, likely in the form of a thick gas envelope of water, hydrogen, and/or helium.The planet Kepler-454b, discovered transiting a Sun-like star, was initially estimated to have a radius of 1.86 Earth radii placing it in between these two categories. A team of astronomers led by Sara Gettel (Harvard-Smithsonian Center for Astrophysics) have since followed up on the initial Kepler detection, hoping to determine the planets composition.Low-Density OutcomeGettel and collaborators obtained 63 observations of the host stars radial velocity with the HARPS-N spectrograph on the Telescopio Nazionale Galileo, and another 36 observations with the HIRES spectrograph at Keck Observatory. These observations allowed them to do several things:Obtain a more accurate radius estimate for Kepler-454b: 2.37 Earth radii.Measure the planets mass: roughly 6.8 Earth masses.Discover surprise! two other, non-transiting companions in the system: Kepler-454c, a planet with a minimum mass of ~4.5 Jupiter masses on a 524-day orbit, and Kepler-454d, a more distant (10-year orbit) brown dwarf or low-mass star.Kepler-454bs newly measured size and mass place it firmly in the category of non-rocky, larger, less dense planets (the authors calculate a density of ~2.76 g/cm3, or roughly half that of Earth). This seems to reinforce the idea that rocky planets dont grow larger than ~1.6 Earth radii, and planets with mass greater than about 6 Earth masses are typically low-density and/or swathed in an envelope of gas.The authors point out that future observing missions like NASA TESS (launching in 2017) will provide more targets that can be followed up to obtain mass measurements, allowing us to determine if this trend in mass and radius holds up in a larger sample.CitationSara Gettel et al 2016 ApJ 816 95. doi:10.3847/0004-637X/816/2/95

A MOLA-controlled RAND-USGS Control Network for Mars

NASA Technical Reports Server (NTRS)

Archinal, B. A.; Colvin, T. R.; Davies, M. E.; Kirk, R. L.; Duxbury, T. C.; Lee, E. M.; Cook, D.; Gitlin, A. R.

2002-01-01

We are undertaking, in support of the Mars Digital Image Mosaic (MDIM) 2.1, many improvements in the RAND-USGS photogrammetric control network for Mars, primarily involving the use of Mars Orbiter Laser Altimeter (MOLA)-derived radii and DIMs to improve control point absolute radii and horizontal positions. Additional information is contained in the original extended abstract.

VizieR Online Data Catalog: California-Kepler Survey (CKS). III. Planet radii (Fulton+, 2017)

NASA Astrophysics Data System (ADS)

Fulton, B. J.; Petigura, E. A.; Howard, A. W.; Isaacson, H.; Marcy, G. W.; Cargile, P. A.; Hebb, L.; Weiss, L. M.; Johnson, J. A.; Morton, T. D.; Sinukoff, E.; Crossfield, I. J. M.; Hirsch, L. A.

2017-11-01

We adopt the stellar sample and the measured stellar parameters from the California-Kepler Survey (CKS) program (Petigura et al. 2017, Cat. J/AJ/154/107; Paper I). The measured values of Teff, logg, and [Fe/H] are based on a detailed spectroscopic characterization of Kepler Object of Interest (KOI) host stars using observations from Keck/HIRES. In Johnson et al. 2017 (Cat J/AJ/154/108; Paper II), we associated those stellar parameters from Paper I to Dartmouth isochrones (Dotter et al. 2008ApJS..178...89D) to derive improved stellar radii and masses, allowing us to recalculate planetary radii using the light-curve parameters from Mullally et al. 2015 (Cat. J/ApJS/217/31). (1 data file).

Epidemic spreading on random surfer networks with optimal interaction radius

NASA Astrophysics Data System (ADS)

Feng, Yun; Ding, Li; Hu, Ping

2018-03-01

In this paper, the optimal control problem of epidemic spreading on random surfer heterogeneous networks is considered. An epidemic spreading model is established according to the classification of individual's initial interaction radii. Then, a control strategy is proposed based on adjusting individual's interaction radii. The global stability of the disease free and endemic equilibrium of the model is investigated. We prove that an optimal solution exists for the optimal control problem and the explicit form of which is presented. Numerical simulations are conducted to verify the correctness of the theoretical results. It is proved that the optimal control strategy is effective to minimize the density of infected individuals and the cost associated with the adjustment of interaction radii.

Development and validation of a canine radius replica for mechanical testing of orthopedic implants.

PubMed

Little, Jeffrey P; Horn, Timothy J; Marcellin-Little, Denis J; Harrysson, Ola L A; West, Harvey A

2012-01-01

To design and fabricate fiberglass-reinforced composite (FRC) replicas of a canine radius and compare their mechanical properties with those of radii from dog cadavers. Replicas based on 3 FRC formulations with 33%, 50%, or 60% short-length discontinuous fiberglass by weight (7 replicas/group) and 5 radii from large (> 30-kg) dog cadavers. Bones and FRC replicas underwent nondestructive mechanical testing including 4-point bending, axial loading, and torsion and destructive testing to failure during 4-point bending. Axial, internal and external torsional, and bending stiffnesses were calculated. Axial pullout loads for bone screws placed in the replicas and cadaveric radii were also assessed. Axial, internal and external torsional, and 4-point bending stiffnesses of FRC replicas increased significantly with increasing fiberglass content. The 4-point bending stiffness of 33% and 50% FRC replicas and axial and internal torsional stiffnesses of 33% FRC replicas were equivalent to the cadaveric bone stiffnesses. Ultimate 4-point bending loads did not differ significantly between FRC replicas and bones. Ultimate screw pullout loads did not differ significantly between 33% or 50% FRC replicas and bones. Mechanical property variability (coefficient of variation) of cadaveric radii was approximately 2 to 19 times that of FRC replicas, depending on loading protocols. Within the range of properties tested, FRC replicas had mechanical properties equivalent to and mechanical property variability less than those of radii from dog cadavers. Results indicated that FRC replicas may be a useful alternative to cadaveric bones for biomechanical testing of canine bone constructs.

Seeing Double with K2: Testing Re-inflation with Two Remarkably Similar Planets around Red Giant Branch Stars

NASA Astrophysics Data System (ADS)

Grunblatt, Samuel K.; Huber, Daniel; Gaidos, Eric; Lopez, Eric D.; Howard, Andrew W.; Isaacson, Howard T.; Sinukoff, Evan; Vanderburg, Andrew; Nofi, Larissa; Yu, Jie; North, Thomas S. H.; Chaplin, William; Foreman-Mackey, Daniel; Petigura, Erik; Ansdell, Megan; Weiss, Lauren; Fulton, Benjamin; Lin, Douglas N. C.

2017-12-01

Despite more than 20 years since the discovery of the first gas giant planet with an anomalously large radius, the mechanism for planet inflation remains unknown. Here, we report the discovery of K2-132b, an inflated gas giant planet found with the NASA K2 Mission, and a revised mass for another inflated planet, K2-97b. These planets orbit on ≈9 day orbits around host stars that recently evolved into red giants. We constrain the irradiation history of these planets using models constrained by asteroseismology and Keck/High Resolution Echelle Spectrometer spectroscopy and radial velocity measurements. We measure planet radii of 1.31 ± 0.11 R J and 1.30 ± 0.07 R J, respectively. These radii are typical for planets receiving the current irradiation, but not the former, zero age main-sequence irradiation of these planets. This suggests that the current sizes of these planets are directly correlated to their current irradiation. Our precise constraints of the masses and radii of the stars and planets in these systems allow us to constrain the planetary heating efficiency of both systems as 0.03{ % }-0.02 % +0.03 % . These results are consistent with a planet re-inflation scenario, but suggest that the efficiency of planet re-inflation may be lower than previously theorized. Finally, we discuss the agreement within 10% of the stellar masses and radii, and the planet masses, radii, and orbital periods of both systems, and speculate that this may be due to selection bias in searching for planets around evolved stars.

Particle-number fluctuations and neutron-proton pairing effects on proton and neutron radii of even-even N Almost-Equal-To Z nuclei

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

Douici, M.; Allal, N. H.; Fellah, M.

The particle-number fluctuation effect on the root-mean-square (rms) proton and neutron radii of even-even N Almost-Equal-To Z nuclei is studied in the isovector neutron-proton (np) pairing case using an exact particle-number projection method and the Woods-Saxon model.

Comparison of methods to determine disk and heartwood areas

Treesearch

Michael C. Wiemann; John P. Brown; Neal D. Bennett

2002-01-01

The feasibility of using radius measurements on disks to determine cross-sectional areas of tree stems and the heartwood they contain was examined in sugar maple and red oak butt logs. Areas calculated from quadratic means of four stem radii and four heartwood radii were compared with areas measured with a planimeter. The lineal measurement method was less precise for...

Comparative analysis of the processing accuracy of high strength metal sheets by AWJ, laser and plasma

NASA Astrophysics Data System (ADS)

Radu, M. C.; Schnakovszky, C.; Herghelegiu, E.; Tampu, N. C.; Zichil, V.

2016-08-01

Experimental tests were carried out on two high-strength steel materials (Ramor 400 and Ramor 550). Quantification of the dimensional accuracy was achieved by measuring the deviations from some geometric parameters of part (two lengths and two radii). It was found that in case of Ramor 400 steel, at the jet inlet, the deviations from the part radii are quite small for all the three analysed processes. Instead for the linear dimensions, the deviations are small only in case of laser cutting. At the jet outlet, the deviations raised in small amount compared to those obtained at the jet inlet for both materials as well as for all the three processes. Related to Ramor 550 steel, at the jet inlet the deviations from the part radii are very small in case of AWJ and laser cutting but larger in case of plasma cutting. At the jet outlet, the deviations from the part radii are very small for all processes; in case of linear dimensions, there was obtained very small deviations only in the case of laser processing, the other two processes leading to very large deviations.

Dispersion of Rod-like Particles of Nafion in Salt-Free Water/1-Propanol and Water/Ethanol Solutions.

PubMed

Yamaguchi, Makoto; Matsunaga, Takuro; Amemiya, Kazuki; Ohira, Akihiro; Hasegawa, Naoki; Shinohara, Kazuhiko; Ando, Masaki; Yoshida, Toshihiko

2014-12-26

The dispersion of perfluorinated sulfonic acid ionomers in catalyst inks is an important factor controlling the performance of catalyst layers in membrane electrode assemblies of proton exchange membrane fuel cells (PEMFCs). The effect of water/alcohol composition on the dispersion of H-Nafion in water/1-propanol and water/ethanol solutions was studied by dynamic light scattering (DLS), small-angle X-ray scattering (SAXS), and (19)F nuclear magnetic resonance ((19)F NMR) spectroscopy. Hydrodynamic radii calculated from DLS decay profiles and the radii and interparticle distance of rod-like particles derived from SAXS profiles showed almost the same dependence on alcohol concentration. 1-Propanol was more effective than ethanol to induce changes in the characteristic lengths of the rod-like particles. The motional narrowing in the (19)F NMR spectra by addition of 1-propanol indicates selective solvation of the rod-like particles. We suppose this might have decreased their radii and induced their elongation, which eventually led to extension of the ordered regions as observed in the hydrodynamic radii. Our study helps to clarify the dispersion of Nafion in aqueous alcohol solutions, which has implications for the performance of PEMFCs.

Spreading of blood drops over dry porous substrate: complete wetting case.

PubMed

Chao, Tzu Chieh; Arjmandi-Tash, Omid; Das, Diganta B; Starov, Victor M

2015-05-15

The process of dried blood spot sampling involves simultaneous spreading and penetration of blood into a porous filter paper with subsequent evaporation and drying. Spreading of small drops of blood, which is a non-Newtonian liquid, over a dry porous layer is investigated from both theoretical and experimental points of view. A system of two differential equations is derived, which describes the time evolution of radii of both the drop base and the wetted region inside the porous medium. The system of equations does not include any fitting parameters. The predicted time evolutions of both radii are compared with experimental data published earlier. For a given power law dependency of viscosity of blood with different hematocrit level, radii of both drop base and wetted region, and contact angle fell on three universal curves if appropriate scales are used with a plot of the dimensionless radii of the drop base and the wetted region inside the porous layer and dynamic contact angle on dimensionless time. The predicted theoretical relationships are three universal curves accounting satisfactorily for the experimental data. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Testing the white dwarf mass-radius relationship with eclipsing binaries

NASA Astrophysics Data System (ADS)

Parsons, S. G.; Gänsicke, B. T.; Marsh, T. R.; Ashley, R. P.; Bours, M. C. P.; Breedt, E.; Burleigh, M. R.; Copperwheat, C. M.; Dhillon, V. S.; Green, M.; Hardy, L. K.; Hermes, J. J.; Irawati, P.; Kerry, P.; Littlefair, S. P.; McAllister, M. J.; Rattanasoon, S.; Rebassa-Mansergas, A.; Sahman, D. I.; Schreiber, M. R.

2017-10-01

We present high-precision, model-independent, mass and radius measurements for 16 white dwarfs in detached eclipsing binaries and combine these with previously published data to test the theoretical white dwarf mass-radius relationship. We reach a mean precision of 2.4 per cent in mass and 2.7 per cent in radius, with our best measurements reaching a precision of 0.3 per cent in mass and 0.5 per cent in radius. We find excellent agreement between the measured and predicted radii across a wide range of masses and temperatures. We also find the radii of all white dwarfs with masses less than 0.48 M⊙ to be fully consistent with helium core models, but they are on average 9 per cent larger than those of carbon-oxygen core models. In contrast, white dwarfs with masses larger than 0.52 M⊙ all have radii consistent with carbon-oxygen core models. Moreover, we find that all but one of the white dwarfs in our sample have radii consistent with possessing thick surface hydrogen envelopes (10-5 ≥ MH/MWD ≥ 10-4), implying that the surface hydrogen layers of these white dwarfs are not obviously affected by common envelope evolution.

Mapping the Pressure-radius Relationship of Exoplanets

NASA Astrophysics Data System (ADS)

Cubillos, Patricio; Fossati, Luca; Kubyshkina, Darya

2017-10-01

The radius of a planet is one of the most physically meaningful and readily accessible parameters of extra-solar planets. This parameter is extensively used in the literature to compare planets or study trends in the know population of exoplanets. However, in an atmosphere, the concept of a planet radius is inherently fuzzy. The atmospheric pressures probed by trasmission (transit) or emission (eclipse) spectra are not directly constrained by the observations, they vary as a function of the atmospheric properties and observing wavelengths, and further correlate with the atmospheric properties producing degenerate solutions.Here, we characterize the properties of exoplanet radii using a radiative-transfer model to compute clear- atmosphere transmission and emission spectra of gas-dominated planets. We explore a wide range of planetary temperatures, masses, and radii, sampling from 300 to 3000 K and Jupiter- to Earth-like values. We will discuss how transit and photospheric radii vary over the parameter space, and map the global trends in the atmospheric pressures associated with these radii. We will also highlight the biases introduced by the choice of an observing band, or the assumption of a clear/cloudy atmosphere, and the relevance that these biases take as better instrumentation improves the precision of photometric observations.

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

Saenboonruang, Kiadtisak

In contrast to the nuclear charge densities, which have been accurately measured with electron scattering, the knowledge of neutron densities still lack precision. Previous model-dependent hadron experiments suggest the difference between the neutron radius, R n, of a heavy nucleus and the proton radius, R p, to be in the order of several percent. To accurately obtain the difference, R n-R p, which is essentially a neutron skin, the Jefferson Lab Lead ( 208Pb) Radius Experiment (PREX) measured the parity-violating electroweak asymmetry in the elastic scattering of polarized electrons from 208Pb at an energy of 1.06 GeV and a scatteringmore » angle of 5° . Since Z 0 boson couples mainly to neutrons, this asymmetry provides a clean measurement of R n with respect to R p. PREX was conducted at the Jefferson lab experimental Hall A, from March to June 2010. The experiment collected a final data sample of 2x 10 7 helicity-window quadruplets. The measured parity-violating electroweak asymmetry A PV = 0.656 ± 0.060 (stat) ± 0.014 (syst) ppm corresponds to a difference between the radii of the neutron and proton distributions, R n-R p = 0.33 +0.16 -0.18 fm and provides the first electroweak observation of the neutron skin as expected in a heavy, neutron-rich nucleus. The value of the neutron radius of 208Pb has important implications for models of nuclear structure and their application in atomic physics and astrophysics such as atomic parity non-conservation (PNC) and neutron stars.« less

Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids

NASA Astrophysics Data System (ADS)

Anatole von Lilienfeld, O.; Tkatchenko, Alexandre

2010-06-01

We present numerical estimates of the leading two- and three-body dispersion energy terms in van der Waals interactions for a broad variety of molecules and solids. The calculations are based on London and Axilrod-Teller-Muto expressions where the required interatomic dispersion energy coefficients, C6 and C9, are computed "on the fly" from the electron density. Inter- and intramolecular energy contributions are obtained using the Tang-Toennies (TT) damping function for short interatomic distances. The TT range parameters are equally extracted on the fly from the electron density using their linear relationship to van der Waals radii. This relationship is empiricially determined for all the combinations of He-Xe rare gas dimers, as well as for the He and Ar trimers. The investigated systems include the S22 database of noncovalent interactions, Ar, benzene and ice crystals, bilayer graphene, C60 dimer, a peptide (Ala10), an intercalated drug-DNA model [ellipticine-d(CG)2], 42 DNA base pairs, a protein (DHFR, 2616 atoms), double stranded DNA (1905 atoms), and 12 molecular crystal polymorphs from crystal structure prediction blind test studies. The two- and three-body interatomic dispersion energies are found to contribute significantly to binding and cohesive energies, for bilayer graphene the latter reaches 50% of experimentally derived binding energy. These results suggest that interatomic three-body dispersion potentials should be accounted for in atomistic simulations when modeling bulky molecules or condensed phase systems.

A controllable molecular sieve for Na+ and K+ ions.

PubMed

Gong, Xiaojing; Li, Jichen; Xu, Ke; Wang, Jianfeng; Yang, Hui

2010-02-17

The selective rate of specific ion transport across nanoporous material is critical to biological and nanofluidic systems. Molecular sieves for ions can be achieved by steric and electrical effects. However, the radii of Na(+) and K(+) are quite similar; they both carry a positive charge, making them difficult to separate. Biological ionic channels contain precisely arranged arrays of amino acids that can efficiently recognize and guide the passage of K(+) or Na(+) across the cell membrane. However, the design of inorganic channels with novel recognition mechanisms that control the ionic selectivity remains a challenge. We present here a design for a controllable ion-selective nanopore (molecular sieve) based on a single-walled carbon nanotube with specially arranged carbonyl oxygen atoms modified inside the nanopore, which was inspired by the structure of potassium channels in membrane spanning proteins (e.g., KcsA). Our molecular dynamics simulations show that the remarkable selectivity is attributed to the hydration structure of Na(+) or K(+) confined in the nanochannels, which can be precisely tuned by different patterns of the carbonyl oxygen atoms. The results also suggest that a confined environment plays a dominant role in the selectivity process. These studies provide a better understanding of the mechanism of ionic selectivity in the KcsA channel and possible technical applications in nanotechnology and biotechnology, including serving as a laboratory-in-nanotube for special chemical interactions and as a high-efficiency nanodevice for purification or desalination of sea and brackish water.

Hst Observations Of The Extended Hydrogen Corona Of Mars

NASA Astrophysics Data System (ADS)

Clarke, John T.; Bertaux, J.; Chaufray, J.; Gladstone, R.; Quemerais, E.; Wilson, J. K.

2009-09-01

HST ACS/SBC UV images of the extended H Ly alpha emission from the Martian hydrogen corona have been obtained over Oct/Nov 2007, with coincident measurements of the altitude profile of the Lyman alpha emission by the SPICAM instrument on Mars Express in orbit about Mars. Careful measurement of the geocoronal emission background permit the measurement of the martian emission to a low level (less than 1 kilo-Rayleigh) out to 4 mars radii from the planet. Similar angular distributions of the emission were seen on 3 days of observations, reflecting the radiative transfer in the optically thick atmosphere, while the overall level of emission was seen to steadily decrease in both data sets over 4 weeks time. The altitude distribution of the emission out to large distances is compared with the results of a radiative transfer model that includes an exospheric population of cold and hot H atoms. In general, the dominant population of H atoms close to the planet is consistent with the measured temperature of the upper atmosphere, while far from the planet one has the highest sensitivity to a superthermal component of the exospheric H. The results will be presented with discussion of the escape rate of H from the martian atmosphere, and how this varied over 4 weeks in Fall 2007. This has implications for the rate of escape of water from the martian atmosphere, and how this can vary with time. These observations were supported by STScI grant GO-11170-01 to Boston University.

Structure and properties of ZnSxSe1-x thin films deposited by thermal evaporation of ZnS and ZnSe powder mixtures

NASA Astrophysics Data System (ADS)

Valeev, R. G.; Romanov, E. A.; Vorobiev, V. L.; Mukhgalin, V. V.; Kriventsov, V. V.; Chukavin, A. I.; Robouch, B. V.

2015-02-01

Interest to ZnSxSe1-x alloys is due to their band-gap tunability varying S and Se content. Films of ZnSxSe1-x were grown evaporating ZnS and ZnSe powder mixtures onto SiO2, NaCl, Si and ITO substrates using an original low-cost method. X-ray diffraction patterns and Raman spectroscopy, show that the lattice structure of these films is cubic ZnSe-like, as S atoms replace Se and film compositions have their initial S/Se ratio. Optical absorption spectra show that band gap values increase from 2.25 to 3 eV as x increases, in agreement with the literature. Because S atomic radii are smaller than Se, EXAFS spectra confirm that bond distances and Se coordination numbers decrease as the Se content decreases. The strong deviation from linearity of ZnSe coordination numbers in the ZnSxSe1-x indicate that within this ordered crystal structure strong site occupation preferences occur in the distribution of Se and S ions. The behavior is quantitatively confirmed by the strong deviation from the random Bernoulli distribution of the three sight occupation preference coefficients of the strained tetrahedron model. Actually, the ternary ZnSxSe1-x system is a bi-binary (ZnS+ZnSe) alloy with evanescent formation of ternary configurations throughout the x-range.

High-energy X-ray powder diffraction and atomic-pair distribution-function studies of charged/discharged structures in carbon-hybridized Li2MnSiO4 nanoparticles as a cathode material for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Moriya, Maki; Miyahara, Masahiko; Hokazono, Mana; Sasaki, Hirokazu; Nemoto, Atsushi; Katayama, Shingo; Akimoto, Yuji; Hirano, Shin-ichi; Ren, Yang

2014-10-01

The stable cycling performance with a high discharge capacity of ∼190 mAh g-1 in a carbon-hybridized Li2MnSiO4 nanostructured powder has prompted an experimental investigation of the charged/discharged structures using synchrotron-based and laboratory-based X-rays and atomic-pair distribution-function (PDF) analyses. A novel method of in-situ spray pyrolysis of a precursor solution with glucose as a carbon source enabled the successful synthesis of the carbon-hybridized Li2MnSiO4 nanoparticles. The XRD patters of the discharged (lithiated) samples exhibit a long-range ordered structure characteristic of the (β) Li2MnSiO4 crystalline phase (space group Pmn21) which dissipates in the charged (delithiated) samples. However, upon discharging the long-range ordered structure recovers in each cycle. The disordered structure, according to the PDF analysis, is mainly due to local distortions of the MnO4 tetrahedra which show a mean Mn-O nearest neighbor distance shorter than that of the long-range ordered phase. These results corroborate the notion of the smaller Mn3+/Mn4+ ionic radii in the Li extracted phase versus the larger Mn2+ ionic radius in Li inserted phase. Thus Li extraction/insertion drives the fluctuation between the disordered and the long-range ordered structures.

Structural ordering of casein micelles on silicon nitride micro-sieves during filtration.

PubMed

Gebhardt, Ronald; Holzmüller, Wolfgang; Zhong, Qi; Müller-Buschbaum, Peter; Kulozik, Ulrich

2011-11-01

The paper reports on the structure and formation of casein micelle deposits on silicon nitride micro-sieves during the frontal filtration. The most frequent radius of the fractionated casein micelles we use is R=60 nm as detected by static light scattering (SLS) and atomic force microscopy (AFM). We estimate the size and size distribution of the casein micelles which pass through the micro-sieve during the filtration process. A sharpening of the size distribution at the beginning of the filtration process (t=40s) is followed by a broadening and a shift of the most frequent radii towards smaller sizes at later times (t=840 s). The size distribution of the micelles deposited on the micro-sieve during filtration is bimodal and consists of the largest and smallest micelles. At larger filtration times, we observe a shift of both deposited size classes towards smaller sizes. The atomic force micrographs of the reference sample reveal a tendency of the casein micelles to order in a hexagonal lattice when deposited on the micro-sieves by solution casting. The deposition of two size classes can be explained by a formation of a mixed hexagonal lattice with large micelles building up the basis lattice and smaller sizes filling octahedral and tetrahedral holes of the lattice. The accompanied compression with increasing thickness of the casein layer could result from preferential deposition of smaller sizes in the course of the filtration. Copyright © 2011 Elsevier B.V. All rights reserved.

First-principles studies of the local structure and relaxor behavior of Pb(Mg 1 /3Nb2 /3) O3-PbTiO3 -derived ferroelectric perovskite solid solutions

NASA Astrophysics Data System (ADS)

Tan, Hengxin; Takenaka, Hiroyuki; Xu, Changsong; Duan, Wenhui; Grinberg, Ilya; Rappe, Andrew M.

2018-05-01

We have investigated the effect of transition-metal dopants on the local structure of the prototypical 0.75 Pb (Mg1 /3Nb2 /3) O3-0.25 PbTiO3 relaxor ferroelectric. We find that these dopants give rise to very different local structure and other physical properties. For example, when Mg is partially substituted by Cu or Zn, the displacement of Cu or Zn is much larger than that of Mg and is even comparable to that of Nb. The polarization of these systems is also increased, especially for the Cu-doped solution, due to the large polarizability of Cu and Zn. As a result, the predicted maximum dielectric constant temperatures Tm are increased. On the other hand, the replacement of a Ti atom with a Mo or Tc atom dramatically decreases the displacements of the cations and the polarization, and thus, the Tm values are also substantially decreased. The higher Tm cannot be explained by the conventional argument based on the ionic radii of the cations. Furthermore, we find that Cu, Mo, or Tc doping increases the cation displacement disorder. The effect of the dopants on the temperature dispersion Δ Tm , which is the change in Tm for different frequencies, is also discussed. Our findings lay the foundation for further investigations of unexplored dopants.

Orbital Effects on Mercury's Escaping Sodium Exosphere

NASA Technical Reports Server (NTRS)

Schmidt, Carl A.; Wilson, Jody K.; Baumgardner, Jeffrey; Mendillo, Michael

2009-01-01

We present results from coronagraphic imaging of Mercury's sodium tail over a 7 deg field of view. Several sets of observations made at the McDonald Observatory since May 2007 show a tail of neutral sodium atoms stretching more than 1000 Mercury radii (R(sub m)) in length, or a full degree of sky. However, no tail was observed extending beyond 120 R(sub m) during the January 2008 MESSENGER Fly-by period, or during a similar orbital phase of Mercury in July 2008. Large changes in Mercury's heliocentric radial velocity cause Doppler shifts about the Fraunhofer absorption features; the resultant change in solar flux and radiation pressure is the primary cause of the observed variation in tail brightness. Smaller fluctuations in brightness may exist due to changing source rates at the surface, but we have no explicit evidence for such changes in this data set. The effects of radiation pressure on Mercury's escaping atmosphere are investigated using seven observations spanning different orbital phases. Total escape rates of atmospheric sodium are estimated to be between 5 and 13 x 10(exp 23) atoms/s and show a correlation to radiation pressure. Candidate sources of Mercury's sodium exosphere include desorption by UV sunlight, thermal desorption, solar wind channeled along Mercury's magnetic field lines, and micro-meteor impacts. Wide-angle observations of the full extent of Mercury's sodium tail offer opportunities to enhance our understanding of the time histories of these source rates.

Two and three-body interatomic dispersion energy contributions to binding in molecules and solids.

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

von Lilienfeld-Toal, Otto Anatole; Tkatchenko, Alexandre

We present numerical estimates of the leading two- and three-body dispersion energy terms in van der Waals interactions for a broad variety of molecules and solids. The calculations are based on London and Axilrod-Teller-Muto expressions where the required interatomic dispersion energy coefficients, C{sub 6} and C{sub 9}, are computed 'on the fly' from the electron density. Inter- and intramolecular energy contributions are obtained using the Tang-Toennies (TT) damping function for short interatomic distances. The TT range parameters are equally extracted on the fly from the electron density using their linear relationship to van der Waals radii. This relationship is empiriciallymore » determined for all the combinations of He-Xe rare gas dimers, as well as for the He and Ar trimers. The investigated systems include the S22 database of noncovalent interactions, Ar, benzene and ice crystals, bilayer graphene, C{sub 60} dimer, a peptide (Ala{sub 10}), an intercalated drug-DNA model [ellipticine-d(CG){sub 2}], 42 DNA base pairs, a protein (DHFR, 2616 atoms), double stranded DNA (1905 atoms), and 12 molecular crystal polymorphs from crystal structure prediction blind test studies. The two- and three-body interatomic dispersion energies are found to contribute significantly to binding and cohesive energies, for bilayer graphene the latter reaches 50% of experimentally derived binding energy. These results suggest that interatomic three-body dispersion potentials should be accounted for in atomistic simulations when modeling bulky molecules or condensed phase systems.« less

Ligand field splittings in core level transitions for transition metal (TM) oxides: Tanabe-Sugano diagrams and (TM) dangling bonds in vacated O-atom defects

NASA Astrophysics Data System (ADS)

Lucovsky, Gerry; Wu, Kun; Pappas, Brian; Whitten, Jerry

2013-04-01

Defect states in the forbidden band-gap below the conduction band edge are active as electron traps in nano-grain high-) transition metal (TM) oxides with thickness >0.3 nm, e.g., ZrO2 and HfO2. These oxides have received considerable attention as gate-dielectrics in complementary metal oxide semiconductor (CMOS) devices, and more recently are emerging as candidates for charge storage and memory devices. To provide a theoretical basis for device functionality, ab-initio many-electron theory is combined with X-ray absorption spectroscopy (XAS) to study O K edge and TM core level transitions. These studies identify ligand field splittings (ΔLF) for defect state features,. When compared with those obtained from O-atom and TM-atom core spectroscopic transitions, this provides direct information about defect state sun-nm bonding arrangements. comparisons are made for (i) elemental TiO2 and Ti2O3 with different formal ionic charges, Ti4+ and Ti3+ and for (ii) Magneli Phase alloys, TinO2n-1, n is an integer 9>=n>3, and (TiO2)x(HfO2)1-x alloys. The alloys display multi-valent behavior from (i) different ionic-charge states, (ii} local bond-strain, and (iii) metallic hopping transport. The intrinsic bonding defects in TM oxides are identified as pairs of singly occupied dangling bonds. For 6-fold coordinated Ti-oxides defect excited states in 2nd derivative O K pre-edge spectra are essentially the same as single Ti-atom d2 transitions in Tanabe-Sugano (T-S) diagrams. O-vacated site defects in 8-fold coordinated ZrO2 and HfO2 are described by d8 T-S diagrams. T-S defect state ordering and splittings are functions of the coordination and symmetry of vacated site bordering TM atoms. ΔLF values from the analysis of T-S diagrams indicate medium range order (MRO) extending to 3rd and 4th nearest-neighbor (NN) TM-atoms. Values are different for 6-fold Ti, and 8-fold ZrO2 and HfO2, and scale inversely with differences in respective formal ionic radii. O-vacated site bonding defects in TM nano-grain oxides are qualitatively similar to vacant-site defects in non-crystalline SiO2 and GeO2 for ulta-thin films, < 0.2 nm thick, and yield similar performance in MOSCAPs on Ge substrates heralding applications in aggressively-scale CMOS devices.

Studies of ionic current rectification using polyethyleneimines coated glass nanopipettes.

PubMed

Liu, Shujuan; Dong, Yitong; Zhao, Wenbo; Xie, Xiang; Ji, Tianrong; Yin, Xiaohong; Liu, Yun; Liang, Zhongwei; Momotenko, Dmitry; Liang, Dehai; Girault, Hubert H; Shao, Yuanhua

2012-07-03

The modification of glass nanopipettes with polyethyleneimines (PEIs) has been successfully achieved by a relatively simple method, and the smallest tip opening is around 3 nm. Thus, in a much wider range of glass pipettes with radii from several nanometers to a few micrometers, the ion current rectification (ICR) phenomenon has been observed. The influences of different KCl concentrations, pH values, and tip radii on the ICR are investigated in detail. The sizes of PEIs have been determined by dynamic light scattering, and the effect of the sizes of PEIs for the modification, especially for a few nanometer-pipettes in radii, is also discussed. These findings systemically confirm and complement the theoretical model and provide a platform for possible selectively molecular detection and mimic biological ion channels.

Charge radii of neutron-deficient Ca isotopes

NASA Astrophysics Data System (ADS)

Miller, A. J.; Minamisono, K.; Klose, A.; Everett, N.; Kalman, C.; Powel, R. C.; Watkins, J.; Garand, D.; Sumithrarachchi, C.; Krämer, J.; Maa, B.; Nörtershäuser, W.; Rossi, D. M.; Kujawa, C.; Pineda, S.; Lantis, J.; Liu, Y.; Mantica, P. F.; Pearson, M. R.

2017-09-01

Nucleon shell closures are generally associated with a local minimum in mean-square charge radii, 〈r2 〉 , along an isotopic chain. The 〈r2 〉 of 18Ar and 19K isotopes, however, do not show this signature at the N = 20 neutron shell closure. To gain a microscopic understanding of this abnormal behavior, measurements of 〈r2 〉 of neutron-deficient Ca isotopes below N = 20 have been proposed at the BEam COoling and LAser spectroscopy (BECOLA) facility at NSCL/MSU. Preliminary results will be presented and the deduced charge radii will be compared to theoretical calculations and the trends in the nearby isotopic chains. Work supported in part by NSF Grant PHY-15-65546, U.S. DOE Grant DE-NA0002924 and by the Deutsche Forschungsgemeinschaft through Grant SFB 1245.

Photoionization Models of Bromine, Rubidium, and Xenon in Planetary Nebulae

NASA Astrophysics Data System (ADS)

Sterling, Nicholas C.; Porter, Ryan; Spencer, Courteney; Sherrard, Cameroun G.

2017-06-01

We present numerical simulations of the Br, Rb, and Xe ionization balance in five planetary nebulae (PNe). These neutron-capture elements (atomic number Z > 30) can be enriched by s-process nucleosynthesis during the asymptotic giant branch (AGB) evolutionary stage of PN progenitor stars. Recent calculations of photoionization cross sections and rate coefficients for radiative recombination, dielectronic recombination, and charge transfer (Kerlin et al. 2017, in preparation; Sterling & Kerlin 2016, 227th AAS, #238.02; Sterling & Stancil 2011, A&A, 535, A117) allow the Br, Rb, and Xe ionization equilibria to be modeled in PNe for the first time. We have added these elements and their atomic data to Cloudy (Ferland et al. 2013, RMxA&A, 49, 137). We model the PNe IC 418, IC 2501, IC 4191, NGC 2440, and NGC 7027, all of which exhibit emission from multiple Xe ions in the optical data of Sharpee et al. (2007, ApJ, 659, 1265). Multiple Br and Rb ions were also detected in NGC 7027. The model central star temperatures and luminosities, and nebular densities, outer radii, and abundances were optimized to best reproduce the observed intensities of Sharpee et al. We find that IC 418 and NGC 7027 are enriched in Br, Rb, and Xe, in accordance with results for Se and Kr (Sterling et al. 2015, ApJS, 218, 25). Given the small sample size and the weakness of the lines involved, it is not clear whether discrepancies between modeled and observed intensities are due to observational, model, or atomic data uncertainties. This sample will be expanded to include other PNe, such as those in our optical survey (Sherrard et al. poster, this session), which will allow us to test the veracity of the new atomic data for Xe and, for a smaller number of PNe, Br and Rb. Following the methods of Sterling et al. (2015), grids of Cloudy models will be computed to derive ionization correction factors for Br, Rb, and Xe for the first time, allowing their abundances to be determined with higher accuracy than previously possible. We acknowledge support from NSF grant AST-1412928.

Evaluating point count efficiency relative to territory mapping in cropland birds

Treesearch

Andre Cyr; Denis Lepage; Kathryn Freemark

1995-01-01

Species richness, composition, and abundance of farmland birds were compared between point counts (50-m, 100-m, and 150-m radius half circles) and territory mapping on three 40-ha plots in Québec, Canada. Point counts of smaller radii tended to have larger density estimates than counts of larger radii. Territory mapping detected 10 species more than 150-m...

Numerical Simulations of Thick Aluminum Wire Behavior Under Megampere Current Drive

DTIC Science & Technology

2009-06-01

time dependences of the wire radii agree rather well with the experimental results obtained using laser diagnostics and light imaging. The...simulated time dependences of the wire radii agree rather well with the experimental results obtained using laser diagnostics and light imaging. The...experiments involved a wide range of diagnostics , including current probes, streaked imaging of optical emission, 4-frame laser shadowgraphy, fast

Update on matter radii of O-2417

NASA Astrophysics Data System (ADS)

Fortune, H. T.

2018-05-01

The appearance of new theoretical papers concerning matter radii of neutron-rich oxygen nuclei has prompted a return to this problem. New results provide no better agreement with experimental values than did previous calculations with a simple model. I maintain that there is no reason to adjust the 22O core in the 24O nucleus, and the case of 24O should be reexamined experimentally.

Investigation of Possible Electromagnetic Disturbances caused by Spacecraft-Plasma Interactions at 4 Radii

NASA Technical Reports Server (NTRS)

Okada, M.; Tsurutani, B. T.; Goldstein, G. E.; Matsumoto, H.; Brinca, A. L.; Kellogg, P. J.

1995-01-01

The proposed Small Solar Probe mission features a close approach to the sun with a perihelion of 4 radii. Carbon molecules emitted from the spacecraft's heat shield will become ionized by electron impact and photoionization. The newly created ions and electrons may generate electromagnetic and electrostatic plasma waves which are possible sources of interference with in-situ plasma measurements.

Hypersonic boundary-layer transition measurements at Mach 10 on a large seven-degree cone at angle of attack

NASA Astrophysics Data System (ADS)

Moraru, Ciprian G.

The ability to predict the onset of boundary-layer transition is critical for hypersonic flight vehicles. The development of prediction methods depends on a thorough comprehension of the mechanisms that cause transition. In order to improve the understanding of hypersonic boundary-layer transition, tests were conducted on a large 7° half-angle cone at Mach 10 in the Arnold Engineering Development Complex Wind Tunnel 9. Twenty-four runs were performed at varying unit Reynolds numbers and angles of attack for sharp and blunt nosetip configurations. Heat-transfer measurements were used to determine the start of transition on the cone. Increasing the unit Reynolds number caused a forward movement of transition on the sharp cone at zero angle of attack. Increasing nosetip radius delayed transition up to a radius of 12.7 mm. Larger nose radii caused the start of transition to move forward. At angles of attack up to 10°, transition was leeside forward for nose radii up to 12.7 mm and windside forward for nose radii of 25.4 mm and 50.8 mm. Second-mode instability waves were measured on the sharp cone and cones with small nose radii. At zero angle of attack, waves at a particular streamwise location on the sharp cone were in earlier stages of development as the unit Reynolds number was decreased. The same trend was observed as the nosetip radius was increased. No second-mode waves were apparent for the cones with large nosetip radii. As the angle of attack was increased, waves at a particular streamwise location on the sharp cone moved to earlier stages of growth on the windward ray and later stages of growth on the leeward ray. RMS amplitudes of second-mode waves were computed. Comparison between maximum second-mode amplitudes and edge Mach numbers showed good correlation for various nosetip radii and unit Reynolds numbers. Using the e N method, initial amplitudes were estimated and compared to freestream noise in the second-mode frequency band. Correlations indicate that freestream noise likely has a significant influence on initial second-mode amplitudes.

Early Hydrodynamic Escape Limits Rocky Planets to Less Than or Equal to 1.6 Earth Radii

NASA Technical Reports Server (NTRS)

Lehmer, O. R.; Catling, D. C.

2017-01-01

In the past decade thousands of exoplanet candidates and hundreds of confirmed exoplanets have been found. For sub-Neptune-sized planets, those less than approx. 10 Earth masses, we can separate planets into two broad categories: predominantly rocky planets, and gaseous planets with thick volatile sheaths. Observations and subsequent analysis of these planets show that rocky planets are only found with radii less than approx. 1.6 Earth radii. No rocky planet has yet been found that violates this limit. We propose that hydrodynamic escape of hydrogen rich protoatmospheres, accreted by forming planets, explains the limit in rocky planet size. Following the hydrodynamic escape model employed by Luger et al. (2015), we modelled the XUV driven escape from young planets (less than approx.100 Myr in age) around a Sun-like star. With a simple, first-order model we found that the rocky planet radii limit occurs consistently at approx. 1.6 Earth radii across a wide range of plausible parameter spaces. Our model shows that hydrodynamic escape can explain the observed cutoff between rocky and gaseous planets. Fig. 1 shows the results of our model for rocky planets between 0.5 and 10 Earth masses that accrete 3 wt. % H2/He during formation. The simulation was run for 100 Myr, after that time the XUV flux drops off exponentially and hydrodynamic escape drops with it. A cutoff between rocky planets and gaseous ones is clearly seen at approx. 1.5-1.6 Earth radii. We are only interested in the upper size limit for rocky planets. As such, we assumed pure hydrogen atmospheres and the highest possible isothermal atmospheric temperatures, which will produce an upper limit on the hydrodynamic loss rate. Previous work shows that a reasonable approximation for an upper temperature limit in a hydrogen rich protoatmosphere is 2000-3000 K, consistent with our assumptions. From these results, we propose that the observed dichotomy between mini-Neptunes and rocky worlds is simply explained by an early episode of thermally-driven hydrodynamic escape when host stars have saturated XUV fluxes.

Strength determination of brittle materials as curved monolithic structures.

PubMed

Hooi, P; Addison, O; Fleming, G J P

2014-04-01

The dental literature is replete with "crunch the crown" monotonic load-to-failure studies of all-ceramic materials despite fracture behavior being dominated by the indenter contact surface. Load-to-failure data provide no information on stress patterns, and comparisons among studies are impossible owing to variable testing protocols. We investigated the influence of nonplanar geometries on the maximum principal stress of curved discs tested in biaxial flexure in the absence of analytical solutions. Radii of curvature analogous to elements of complex dental geometries and a finite element analysis method were integrated with experimental testing as a surrogate solution to calculate the maximum principal stress at failure. We employed soda-lime glass discs, a planar control (group P, n = 20), with curvature applied to the remaining discs by slump forming to different radii of curvature (30, 20, 15, and 10 mm; groups R30-R10). The mean deflection (group P) and radii of curvature obtained on slumping (groups R30-R10) were determined by profilometry before and after annealing and surface treatment protocols. Finite element analysis used the biaxial flexure load-to-failure data to determine the maximum principal stress at failure. Mean maximum principal stresses and load to failure were analyzed with one-way analyses of variance and post hoc Tukey tests (α = 0.05). The measured radii of curvature differed significantly among groups, and the radii of curvature were not influenced by annealing. Significant increases in the mean load to failure were observed as the radius of curvature was reduced. The maximum principal stress did not demonstrate sensitivity to radius of curvature. The findings highlight the sensitivity of failure load to specimen shape. The data also support the synergistic use of bespoke computational analysis with conventional mechanical testing and highlight a solution to complications with complex specimen geometries.

INWARD MOTIONS IN THE OUTER SOLAR CORONA BETWEEN 7 AND 12 R {sub ⊙}: EVIDENCE FOR WAVES OR MAGNETIC RECONNECTION JETS?

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

Tenerani, Anna; Velli, Marco; DeForest, Craig, E-mail: annatenerani@epss.ucla.edu

DeForest et al. used synoptic visible-light image sequences from the COR2 coronagraph on board the STEREO-A spacecraft to identify inbound wave motions in the outer corona beyond 7 solar radii and inferred, from the observation, that the Alfvén surface separating the magnetically dominated corona from the flow dominated wind must be located beyond at least 12 solar radii from the Sun over polar coronal holes and beyond 15 solar radii in the streamer belt. Here, we attempt identification of the observed inward signal by theoretically reconstructing height-speed diagrams and comparing them to the observed profiles. Interpretation in terms of Alfvénmore » waves or Alfvénic turbulence appears to be ruled out by the fact that the observed signal shows a deceleration of inward motion when approaching the Sun. Fast magnetoacoustic waves are not directly ruled out in this way, as it is possible for inward waves observed in quadrature, but not propagating exactly radially, to suffer total reflection as the Alfvén speed rises close to the Sun. However, the reconstructed signal in the height-speed diagram has the wrong concavity. A final possibility is decelerating reconnection jets, most probably from component reconnection, in the accelerating wind: the profile in this case appears to match the observations very well. This interpretation does not alter the conclusion that the Alfvén surface must be at least 12 solar radii from the photosphere. Further observations should help constrain this process, never identified previously in this way, in the distance range from 7 to 12 solar radii.« less

Modelling the Diversity of Outer Planetary Systems. 1; Formation and Evolution

NASA Technical Reports Server (NTRS)

Lissauer, J. J.; Levison, H. F.; Duncan, M. J.; Young, Richard E. (Technical Monitor)

1998-01-01

The process of planetary growth is extremely complicated, involving a myriad of physical and chemical processes, many of which are poorly understood. The ultimate configuration that a planetary system attains depends upon the properties of the disk out of which it grew, of the star at the center of the disk and, at least in some cases, of the interstellar environment. However, this dependence is poorly understood. Thus, in an effort to numerically survey the possible diversity of planetary systems, we have constructed synthetic systems of giant planets and integrated their orbits to determine the dynamical lifetimes and thus the viability of these systems. Our construction algorithm begins with 110 -- 180 planetesimals located between 4 and 40 AU from a one solar mass star; most initial planetesimals have masses several tenths that of Earth. We integrate the orbits of these bodies subject to mutual gravitational perturbations and gas drag for $10^6 - 10^7$ years, merging any pair of planetesimals which passed within one-tenth of a Hill Sphere of one another and adding "gas" to embryos larger than 10 Earth masses. Use of such large planetesimal radii provided sufficient damping to prevent the system from excessive dynamical heating. Subsequently, systems were evolved without gas drag, either with the inflated radii or with more realistic radii. Systems took from a few million years to greater than ten billion years to become stable ($10^9$ years without mergers of ejections). Some of the systems produced with the inflated radii closely resemble our Solar System. Encounters in simulations using realistic radii resulted in ejections, typically leaving only a few planets per system, most of which were in highly eccentric orbits. The structure and dynamics of the resulting "stable" systems is discussed in detail in the abstract by Levison et al.

Investigating failure behavior and origins under supposed "shear bond" loading.

PubMed

Sultan, Hassam; Kelly, J Robert; Kazemi, Reza B

2015-07-01

This study evaluated failure behavior when resin-composite cylinders bonded to dentin fractured under traditional "shear" testing. Failure was assessed by scaling of failure loads to changes in cylinder radii and fracture surface analysis. Three stress models were examined including failure by: bonded area; flat-on-cylinder contact; and, uniformly-loaded, cantilevered-beam. Nine 2-mm dentin occlusal dentin discs for each radii tested were embedded in resin and bonded to resin-composite cylinders; radii (mm)=0.79375; 1.5875; 2.38125; 3.175. Samples were "shear" tested at 1.0mm/min. Following testing, disks were finished with silicone carbide paper (240-600grit) to remove residual composite debris and tested again using different radii. Failure stresses were calculated for: "shear"; flat-on-cylinder contact; and, bending of a uniformly-loaded cantilevered beam. Stress equations and constants were evaluated for each model. Fracture-surface analysis was performed. Failure stresses calculated as flat-on-cylinder contact scaled best with its radii relationship. Stress equation constants were constant for failure from the outside surface of the loaded cylinders and not with the bonded surface area or cantilevered beam. Contact failure stresses were constant over all specimen sizes. Fractography reinforced that failures originated from loaded cylinder surface and were unrelated to the bonded surface area. "Shear bond" testing does not appear to test the bonded interface. Load/area "stress" calculations have no physical meaning. While failure is related to contact stresses, the mechanism(s) likely involve non-linear damage accumulation, which may only indirectly be influenced by the interface. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Hydrogen and hydrocarbon diffusion flames in a weightless environment

NASA Technical Reports Server (NTRS)

Haggard, J. B., Jr.; Cochran, T. H.

1973-01-01

An experimental investigation was performed on laminar hydrogen-, ethylene-, and propylene-air diffusion burning in a weightless environment. The flames burned on nozzles with radii ranging from 0.051 to 0.186 cm with fuel Reynolds numbers at the nozzle exit from 9 to 410. Steady-state diffusion flames existed in a weightless environment for all the fuels tested. A correlation was obtained for their axial length as a function of Schmidt number, Reynolds numbers, and stoichiometric mole fraction. The maximum flame radii were correlated with the ratio of nozzle radius to average fuel velocity. The flames of ethylene and propylene on nozzles with radii 0.113 or larger appeared to be constantly changing color and/or length throughout the test. No extinguishment was observed for any of the gases tested within the 2.2 seconds of weightlessness.

Roles of Bi, M and VO{sub 4} tetrahedron in photocatalytic properties of novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (M=La, Eu, Sm and Y) solid solutions for overall water splitting

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

Liu Hui; Research Center for Combustion and Environment Technology, Shanghai Jiao Tong University, shanghai 200240; Faculty of Engineering Sciences, Kyushu University, Fukuoka 816-8580

2012-02-15

Novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (BMV; M=La, Eu, Sm and Y) solid solutions were prepared and studied in this paper. All the samples were proved to produce H{sub 2} and O{sub 2} simultaneously from pure water under the irradiation of UV light. M-O bond lengths were proved to increase with M cations by refining cell parameters and atomic positions. Besides, band gaps, energy gaps and photocatalytic activities of BMV also changed with M cations. Both of M-O and V-O bond lengths were suggested to account for this phenomenon. Inactive A{sub 0.5}Y{sub 0.5}VO{sub 4} (A=La, Ce) for water splitting proved incorporationmore » of Bi rather than distortion of VO{sub 4} tetrahedron was a critical factor for improving efficiency of overall water splitting by facilitating the generation of electron and hole with lighter effective masses. Replacement of Bi by M cations not only gave indirect effect on band structure but also raised position of conduction band minimum to meet requirement of H{sub 2} production. - Graphical abstract: Novel Bi{sub 0.5}M{sub 0.5}VO{sub 4} (M=La, Eu, Sm and Y) solid solutions showed the high and stable photocatalytic activities for overall water splitting with their crystal radii of M elements. Highlights: Black-Right-Pointing-Pointer BMV solid solutions were novel highly efficient V-based photocatalysts for overall water splitting. Black-Right-Pointing-Pointer Photocatalytic activity of BMV solid solution related to the effective ionic radii of M cations. Black-Right-Pointing-Pointer Incorporation of Bi is one of key factors for the highly efficient activity of BMV solid solution. Black-Right-Pointing-Pointer Incorporation of Y is dispensable for H{sub 2} production.« less

Gaseous Inner Disks

DTIC Science & Technology

2007-01-01

planetary systems (i.e., planetary masses, orbital radii, and eccentricities). For example, the lifetime of gas in the inner disk (limited by accretion onto...2002). Thus, understanding how inner disks dissipate may impact our understanding of the origin of planetary orbital radii. Similarly, residual gas...which the orbiting giant planet carves out a “ gap ” in the disk . Low column densities would also be characteristic of a dissipating disk . Thus, we should

LARGER PLANET RADII INFERRED FROM STELLAR ''FLICKER'' BRIGHTNESS VARIATIONS OF BRIGHT PLANET-HOST STARS

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

Bastien, Fabienne A.; Stassun, Keivan G.; Pepper, Joshua

2014-06-10

Most extrasolar planets have been detected by their influence on their parent star, typically either gravitationally (the Doppler method) or by the small dip in brightness as the planet blocks a portion of the star (the transit method). Therefore, the accuracy with which we know the masses and radii of extrasolar planets depends directly on how well we know those of the stars, the latter usually determined from the measured stellar surface gravity, log g. Recent work has demonstrated that the short-timescale brightness variations ({sup f}licker{sup )} of stars can be used to measure log g to a high accuracymore » of ∼0.1-0.2 dex. Here, we use flicker measurements of 289 bright (Kepmag < 13) candidate planet-hosting stars with T {sub eff} = 4500-6650 K to re-assess the stellar parameters and determine the resulting impact on derived planet properties. This re-assessment reveals that for the brightest planet-host stars, Malmquist bias contaminates the stellar sample with evolved stars: nearly 50% of the bright planet-host stars are subgiants. As a result, the stellar radii, and hence the radii of the planets orbiting these stars, are on average 20%-30% larger than previous measurements had suggested.« less

Getting the sigma in the M_BH - sigma relation right

NASA Astrophysics Data System (ADS)

van der Marel, Roeland

2017-08-01

The relation between the mass of the central supermassive black hole (M_BH) and the velocity dispersion of its host spheroid (sigma) is fundamental for our understanding of galaxy evolution and its relation to their nuclei. Correspondingly many HST orbits have been invested in determining accurate M_BH masses. Surprisingly little has been done on standardizing the other axis, i.e. sigma measurements. These values are often derived from various long-slit datasets at different physical radii of the galaxy and no homogeneous definition has been given. We propose to remedy this situation by using our dataset of MUSE and PPAK kinematic maps out to 1 R_e of galaxies with a secure black hole mass. These data are useful for large scale kinematics, however, obtaining velocity dispersions at small radii is not possible. To measure velocity dispersions at small radii we require high-spatial resolution spectroscopy as provided by HST/STIS. In addtion, high-resolution photometric data is needed to define consistent apertures in each galaxy. We therefore propose to use the unique capabilities of HST and harvest years of efforts to collect archival spectroscopic and imaging data for BH host galaxies. This will allow creating a catalog of sigma values, calculated in various ways and at various radii and to re-calibrate the M_BH - sigma relation.

Ground-state properties of neutron-rich Mg isotopes

NASA Astrophysics Data System (ADS)

Watanabe, S.; Minomo, K.; Shimada, M.; Tagami, S.; Kimura, M.; Takechi, M.; Fukuda, M.; Nishimura, D.; Suzuki, T.; Matsumoto, T.; Shimizu, Y. R.; Yahiro, M.

2014-04-01

We analyze recently measured total reaction cross sections for 24-38Mg isotopes incident on 12C targets at 240 MeV/nucleon by using the folding model and antisymmetrized molecular dynamics (AMD). The folding model well reproduces the measured reaction cross sections, when the projectile densities are evaluated by the deformed Woods-Saxon (def-WS) model with AMD deformation. Matter radii of 24-38Mg are then deduced from the measured reaction cross sections by fine tuning the parameters of the def-WS model. The deduced matter radii are largely enhanced by nuclear deformation. Fully microscopic AMD calculations with no free parameter well reproduce the deduced matter radii for 24-36Mg, but still considerably underestimate them for 37,38Mg. The large matter radii suggest that 37,38Mg are candidates for deformed halo nucleus. AMD also reproduces other existing measured ground-state properties (spin parity, total binding energy, and one-neutron separation energy) of Mg isotopes. Neutron-number (N) dependence of deformation parameter is predicted by AMD. Large deformation is seen from 31Mg with N =19 to a drip-line nucleus 40Mg with N =28, indicating that both the N =20 and 28 magicities disappear. N dependence of neutron skin thickness is also predicted by AMD.

Hemodynamics of the renal artery ostia with implications for their structural development and efficiency of flow.

PubMed

McIntosh, William H; Ozturk, Mesude; Down, Linden A; Papavassiliou, Dimitrios V; O'Rear, Edgar A

2015-01-01

Energy losses at tube or blood vessel orifices depend on the extent of flare as measured by the dimensionless ratio of the fillet radius of curvature to diameter (r/D). The goal of this study was to assess the effect of ostial fillet radii on energy losses at the aorta-renal artery junctions since as much as a quarter of cardiac output passes through the kidneys. Pressure loss coefficients K for the renal artery ostia as a function of r/D have been determined for representative anatomical variants using finite volume simulations. Estimates of fillet radii in humans from image analysis were employed in simulations for comparison of loss coefficients. Values for K drop 45% as r/D increases over the range 0-1.3. Image analysis indicates that the ostia are not symmetric in humans with (r/D)superior much larger than (r/D)inferior. Simulations show the loss coefficient depends almost entirely on the superior fillet radius. Superior fillet radii for both renal arteries are similar to the optimal value to reduce energy losses while the inferior radii are not. Ostial asymmetry may have been induced by higher levels of shear stress present on the superior portion of a developing symmetric ostium of small r/D.

AEgIS at ELENA: outlook for physics with a pulsed cold antihydrogen beam.

PubMed

Doser, M; Aghion, S; Amsler, C; Bonomi, G; Brusa, R S; Caccia, M; Caravita, R; Castelli, F; Cerchiari, G; Comparat, D; Consolati, G; Demetrio, A; Di Noto, L; Evans, C; Fanì, M; Ferragut, R; Fesel, J; Fontana, A; Gerber, S; Giammarchi, M; Gligorova, A; Guatieri, F; Haider, S; Hinterberger, A; Holmestad, H; Kellerbauer, A; Khalidova, O; Krasnický, D; Lagomarsino, V; Lansonneur, P; Lebrun, P; Malbrunot, C; Mariazzi, S; Marton, J; Matveev, V; Mazzotta, Z; Müller, S R; Nebbia, G; Nedelec, P; Oberthaler, M; Pacifico, N; Pagano, D; Penasa, L; Petracek, V; Prelz, F; Prevedelli, M; Rienaecker, B; Robert, J; Røhne, O M; Rotondi, A; Sandaker, H; Santoro, R; Smestad, L; Sorrentino, F; Testera, G; Tietje, I C; Widmann, E; Yzombard, P; Zimmer, C; Zmeskal, J; Zurlo, N

2018-03-28

The efficient production of cold antihydrogen atoms in particle traps at CERN's Antiproton Decelerator has opened up the possibility of performing direct measurements of the Earth's gravitational acceleration on purely antimatter bodies. The goal of the AEgIS collaboration is to measure the value of g for antimatter using a pulsed source of cold antihydrogen and a Moiré deflectometer/Talbot-Lau interferometer. The same antihydrogen beam is also very well suited to measuring precisely the ground-state hyperfine splitting of the anti-atom. The antihydrogen formation mechanism chosen by AEgIS is resonant charge exchange between cold antiprotons and Rydberg positronium. A series of technical developments regarding positrons and positronium (Ps formation in a dedicated room-temperature target, spectroscopy of the n =1-3 and n =3-15 transitions in Ps, Ps formation in a target at 10 K inside the 1 T magnetic field of the experiment) as well as antiprotons (high-efficiency trapping of [Formula: see text], radial compression to sub-millimetre radii of mixed [Formula: see text] plasmas in 1 T field, high-efficiency transfer of [Formula: see text] to the antihydrogen production trap using an in-flight launch and recapture procedure) were successfully implemented. Two further critical steps that are germane mainly to charge exchange formation of antihydrogen-cooling of antiprotons and formation of a beam of antihydrogen-are being addressed in parallel. The coming of ELENA will allow, in the very near future, the number of trappable antiprotons to be increased by more than a factor of 50. For the antihydrogen production scheme chosen by AEgIS, this will be reflected in a corresponding increase of produced antihydrogen atoms, leading to a significant reduction of measurement times and providing a path towards high-precision measurements.This article is part of the Theo Murphy meeting issue 'Antiproton physics in the ELENA era'. © 2018 The Author(s).

Observation and Interpretation of Energetic Neutral Hydrogen Atoms from the December 5, 2006 Solar Event

NASA Technical Reports Server (NTRS)

Mewaldt, R. A.; Leske, R. A.; Stone, E. C.; Barghouty, A. F.; Shih, A. Y.; von Rosenvinge, T. T.; Labrador, A. W.; Cohen, C. M. S.; Cummings, A. C.; Cummings, A. C.

2009-01-01

We report the first observations of energetic neutral atoms (ENAs) from a solar flare/coronal mass ejection event. The observations were made during the December 5, 2006 X9 solar flare, located at E79, by the Low Energy Telescopes (LETs) on the STEREO A and B spacecraft. Within 1-2 hours of the flare onset, both LETs observed a sudden burst of 1.6 to 15 MeV protons arriving hours before the onset of the main solar energetic particle (SEP) event at Earth. More than 70% of these particles arrived from a longitude within +-10 degrees of the Sun. The derived emission profile at the Sun lasted for more than an hour and had a profile remarkably similar to the GOES soft X-ray profile. The observed arrival directions and energy spectrum argue strongly that the particle events <5 MeV were due to energetic neutral hydrogen atoms that were stripped of their electrons upon entering the LET sensor. To our knowledge, this is the first reported observation of ENA emission from a solar flare/coronal mass ejection. We discuss possible origins for the production of ENAs in solar events, including charge-transfer reactions involving both flare and shock-accelerated protons. Assuming isotropic emission, we find that 2 x 10E28 ENAs escaped from the Sun in the upper hemisphere. Based on the 2.2 MeV gamma-ray emission observed by RHESSI in this event, and using measured and theoretical cross sections, we estimate that 3 x 10E31 ENAs with 1.8 - 5 MeV could be produced by protons accelerated in the flare. CME-driven shock acceleration is also a possible ENA source, but unfortunately there were no CME observations available from this event. Taking into account ENA losses, we conclude that the observed ENAs were most likely produced in the high corona at heliocentric distances 1.6 solar radii.

Charge distribution of the neven sulphur isotopes from elastic electron scattering

NASA Astrophysics Data System (ADS)

Rychel, D.; Emrich, H. J.; Miska, H.; Gyufko, R.; Wiedner, C. A.

1983-10-01

Elastic electron scattering experiments on the isotopes 32,34,36S were performed covering a range in momentum transfer q = 0.5-2.6 fm -. The cross sections were analysed with the Fourier-Bessel method yielding model-independent charge distributions and their differences. The extracted rms radii follow approximately the systematics of even-even nuclei; this also holds for the gross features as expressed in dms radii and skin thicknesses.

The K2-HERMES Survey. I. Planet-candidate Properties from K2 Campaigns 1–3

NASA Astrophysics Data System (ADS)

Wittenmyer, Robert A.; Sharma, Sanjib; Stello, Dennis; Buder, Sven; Kos, Janez; Asplund, Martin; Duong, Ly; Lin, Jane; Lind, Karin; Ness, Melissa; Zwitter, Tomaz; Horner, Jonathan; Clark, Jake; Kane, Stephen R.; Huber, Daniel; Bland-Hawthorn, Joss; Casey, Andrew R.; De Silva, Gayandhi M.; D’Orazi, Valentina; Freeman, Ken; Martell, Sarah; Simpson, Jeffrey D.; Zucker, Daniel B.; Anguiano, Borja; Casagrande, Luca; Esdaile, James; Hon, Marc; Ireland, Michael; Kafle, Prajwal R.; Khanna, Shourya; Marshall, J. P.; Saddon, Mohd Hafiz Mohd; Traven, Gregor; Wright, Duncan

2018-02-01

Accurate and precise radius estimates of transiting exoplanets are critical for understanding their compositions and formation mechanisms. To know the planet, we must know the host star in as much detail as possible. We present first results from the K2-HERMES project, which uses the HERMES multi-object spectrograph on the Anglo-Australian Telescope to obtain R ∼ 28000 spectra of up to 360 stars in one exposure. This ongoing project aims to derive self-consistent spectroscopic parameters for about half of K2 target stars. We present complete stellar parameters and isochrone-derived masses and radii for 46 stars hosting 57 K2 candidate planets in Campaigns 1–3. Our revised host-star radii cast severe doubt on three candidate planets: EPIC 201407812.01, EPIC 203070421.01, and EPIC 202843107.01, all of which now have inferred radii well in excess of the largest known inflated Jovian planets.

Applied-field MPD thruster geometry effects

NASA Technical Reports Server (NTRS)

Myers, Roger M.

1991-01-01

Eight MPD thruster configurations were used to study the effects of applied field strength, propellant, and facility pressure on thruster performance. Vacuum facility background pressures higher than approx. 0.12 Pa were found to greatly influence thruster performance and electrode power deposition. Thrust efficiency and specific impulse increased monotonically with increasing applied field strength. Both cathode and anode radii fundamentally influenced the efficiency specific impulse relationship, while their lengths influence only the magnitude of the applied magnetic field required to reach a given performance level. At a given specific impulse, large electrode radii result in lower efficiencies for the operating conditions studied. For all test conditions, anode power deposition was the largest efficiency loss, and represented between 50 and 80 pct. of the input power. The fraction of the input power deposited into the anode decreased with increasing applied field and anode radii. The highest performance measured, 20 pct. efficiency at 3700 seconds specific impulse, was obtained using hydrogen propellant.

Commissioning of a new photon detection system for charge radii measurements of neutron-deficient Ca

NASA Astrophysics Data System (ADS)

Watkins, J.; Garand, D.; Miller, A. J.; Minamisono, K.; Everett, N.; Powel, R. C.; Maaß, B.; Nörtershäuser, W.; Kalman, C.; Lantis, J.; Kujawa, C.; Mantica, P.

2017-09-01

Calcium is unique for its possession of two stable isotopes of ``doubly magic'' nuclei at proton and neutron numbers (Z , N) = (20 , 20) and (20 , 28) . Recent charge radii measurements of neutron-rich calcium isotopes yielded an upward trend beyond current theoretical predictions. At the BECOLA facility at NSCL/MSU, Ca charge radii measurements will be extended to the neutron-deficient regime using collinear laser spectroscopy. A new photon detection system with an ellipsoidal reflector and a compound parabolic concentrator has been commissioned for the experiment. The system increases the signal-to-noise ratio by reducing background, which is critical for the low production rates of the Ca experiment. Details of the system and results of the characterization tests will be discussed. Work supported in part by NSF Grant PHY-15-65546, U.S. DOE Grant DE-NA0002924 and by the Deutsche Forschungsgemeinschaft Grant SFB 1245.

Two-pion femtoscopy in p -Pb collisions at s N N = 5.02 TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2015-03-24

Here, we report the results of the femtoscopic analysis of pairs of identical pions measured in p-Pb collisions at √s NN = 5.02 TeV. Femtoscopic radii are determined as a function of event multiplicity and pair momentum in three spatial dimensions. As in the pp collision system, the analysis is complicated by the presence of sizable background correlation structures in addition to the femtoscopic signal. The radii increase with event multiplicity and decrease with pair transverse momentum. When taken at comparable multiplicity, the radii measured in p-Pb collisions, at high multiplicity and low pair transverse momentum, are 10%–20% higher thanmore » those observed in pp collisions but below those observed in A–A collisions. The results are compared to hydrodynamic predictions at large event multiplicity as well as discussed in the context of calculations based on gluon saturation.« less

Plasma observations near Jupiter - Initial results from Voyager 2

NASA Technical Reports Server (NTRS)

Bridge, H. S.; Belcher, J. W.; Lazarus, A. J.; Sullivan, J. D.; Bagenal, F.; Mcnutt, R. L., Jr.; Ogilvie, K. W.; Scudder, J. D.; Sittler, E. D.; Vasyliunas, V. M.

1979-01-01

A preliminary report is presented of the results obtained by the Voyager 2 plasma experiment during the encounter of Voyager 2 with Jupiter from about 100 Jupiter radii before periapsis to about 300 Jupiter radii after periapsis, the instrument being identical to that on Voyager 1. The discussion covers the following: (1) the crossings of the bow shock and magnetopause observed on the inbound and outbound passes; (2) the radial variation of plasma properties in the magnetosphere; (3) variations in plasma properties near Ganymede; (4) corotation and composition of the plasma in the dayside magnetosphere; and (5) plasma sheet crossings observed on the inbound and outbound passes. From the planetary spin modulation of the plasma-electron intensity it is inferred that the plasma sheet is centered at the dipole magnetic equator out to a distance of 40-50 Jupiter radii and deviates from it toward the rotational equator at larger distances.

Assessing the Effect of Stellar Companions to Kepler Objects of Interest

NASA Astrophysics Data System (ADS)

Hirsch, Lea; Ciardi, David R.; Howard, Andrew

2017-01-01

Unknown stellar companions to Kepler planet host stars dilute the transit signal, causing the planetary radii to be underestimated. We report on the analysis of 165 stellar companions detected with high-resolution imaging to be within 2" of 159 KOI host stars. The majority of the planets and planet candidates in these systems have nominal radii smaller than 6 REarth. Using multi-filter photometry on each companion, we assess the likelihood that the companion is bound and estimate its stellar properties, including stellar radius and flux. We then recalculate the planet radii in these systems, determining how much each planet's size is underestimated if it is assumed to 1) orbit the primary star, 2) orbit the companion star, or 3) be equally likely to orbit either star in the system. We demonstrate the overall effect of unknown stellar companions on our understanding of Kepler planet sizes.

Erosion of carbon/carbon by solar wind charged particle radiation during a solar probe mission

NASA Technical Reports Server (NTRS)

Sokolowski, Witold; O'Donnell, Tim; Millard, Jerry

1991-01-01

The possible erosion of a carbon/carbon thermal shield by solar wind-charged particle radiation is reviewed. The present knowledge of erosion data for carbon and/or graphite is surveyed, and an explanation of erosion mechanisms under different charged particle environments is discussed. The highest erosion is expected at four solar radii. Erosion rates are analytically estimated under several conservative assumptions for a normal quiet and worst case solar wind storm conditions. Mass loss analyses and comparison studies surprisingly indicate that the predicted erosion rate by solar wind could be greater than by nominal free sublimation during solar wind storm conditions at four solar radii. The predicted overall mass loss of a carbon/carbon shield material during the critical four solar radii flyby can still meet the mass loss mission requirement of less than 0.0025 g/sec.

Plasma regimes in the deep geomagnetic tail - ISEE 3

NASA Astrophysics Data System (ADS)

Bame, S. J.; Anderson, R. C.; Asbridge, J. R.; Baker, D. N.; Feldman, W. C.; Gosling, J. T.; Hones, E. W., Jr.; McComas, D. J.; Zwickl, R. D.

1983-09-01

The spacecraft remained close to or within a previously unexplored part of the distant (60-220 earth radii) geomagnetic tail nearly continuously from January 1 to March 30, 1983. Analysis of the data reveals that all of the plasma regimes identified previously with near-earth measurements (plasma sheet, low-latitude boundary layer, plasma mantle, lobe, and magnetosheath) remain recognizable in the distant tail. These regimes, however, are found to be intermingled in a more chaotic fashion than near the earth. Within the plasma sheet at approximately 200 earth radii, typical flow velocities are about 500 km/s tailward, considerably higher than in the near-earth plasma sheet. Earthward flow within the plasma sheet is observed occasionally, indicating the temporary presence of a neutral line beyond 220 earth radii. Also found are strong bidirectional electron anisotropies throughout much of the distant plasma sheet, boundary layer, and magnetosheath.

Ohmic Inflation of Hot Jupiters: an Analytical Approach

NASA Astrophysics Data System (ADS)

Ginzburg, Sivan; Sari, Re'em

2015-12-01

Many giant exoplanets in close orbits have observed radii which exceed theoretical predictions.One suggested explanation for this discrepancy is heat deposited deep inside the atmospheres of these hot Jupiters.We present an analytical model for the evolution of such irradiated, and internally heated gas giants, and derive scaling laws for their cooling rates and radii.We estimate the Ohmic dissipation resulting from the interaction between the atmospheric winds and the planet's magnetic field, and apply our model to Ohmically heated planets.Our model can account for the observed radii of many inflated planets, but not the most extreme ones.We show that Ohmically heated planets have already reached their equilibrium phase and they no longer contract.We show that it is possible to re-inflate planets, but we confirm that re-heating timescales are longer by about a factor of 30 than cooling times.

Joint Soviet-French studies of the solar corona. II - Photometry of the solar corona on June 30, 1973

NASA Astrophysics Data System (ADS)

Vsekhsvyatsky, S. K.; Dzyubenko, N. I.; Ivanchuk, V. I.; Popov, O. S.; Rubo, G. A.; Koutchmy, S.; Koutchmy, O.; Shtelmacher, G.

1981-04-01

Results are presented of a study of negatives obtained on June 30, 1973 during the total solar eclipse in Africa; the study was part of a joint Soviet-French experiment on white corona dynamics, carried out by expeditions of Kiev University (Atar, Mauritania) and the Paris Astrophysical Institute (Moussoro, Chad). The distribution of total corona brightness up to 4.5 solar radii and its K and F corona components for east and north directions were found on the basis of novel methods of photometry and colorimetry using star images up to 8.5m as the photometry standards. Neither the color effect nor flattening is found in the inner part (less than 2.5 solar radii) of the F corona. Integral corona brightness in the standard zone of 1.03-6.00 solar radii was found to be 0.64 x 10 to the -6th solar-E.

Electromagnetic needles with submicron pole tip radii for nanomanipulation of biomolecules and living cells

NASA Astrophysics Data System (ADS)

Matthews, Benjamin D.; LaVan, David A.; Overby, Darryl R.; Karavitis, John; Ingber, Donald E.

2004-10-01

We describe the design and fabrication of a temperature-controlled electromagnetic microneedle (EMN) to generate custom magnetic field gradients for biomedical and biophysical applications. An electropolishing technique was developed to sharpen the EMN pole tip to any desired radius between 100 nm and 20 μm. The EMN can be used to apply strong static or dynamic forces (>50nN) to micrometer- or nanometer-sized magnetic beads without producing significant heating or needle movement. Large tip radii (20 μm) allow magnetic force application to multiple magnetic beads over a large area, while small radii (0.1-6 μm) can be used to selectively pull or capture single magnetic beads from within a large population of similar particles. The customizable EMN is thus well suited for micro- and nanomanipulation of magnetic particles linked to biomolecules or living cells.

System-size and beam energy dependence of the space-time extent of the pion emission source

NASA Astrophysics Data System (ADS)

Pak, Robert; Phenix Collaboration

2014-09-01

Two-pion interferometry measurements are used to extract the Gaussian source radii Rout ,Rside and Rlong , of the pion emission sources produced in d + Au, Cu +Cu and Au +Au collisions for several beam collision energies at PHENIX experiment. The extracted radii, which are compared to recent STAR and ALICE data, show characteristic scaling patterns as a function of the initial transverse geometric size of the collision system, and the transverse mass of the emitted pion pairs. These scaling patterns indicate a linear dependence of Rside on the initial transverse size, as well as a smaller freeze-out size for the d + Au system. Mathematical combinations of the extracted radii generally associated with the emission source duration and expansion rate exhibit non-monotonic behavior, suggesting a change in the expansion dynamics over this beam energy range.

Classification of AB O 3 perovskite solids: a machine learning study

DOE PAGES

Pilania, G.; Balachandran, P. V.; Gubernatis, J. E.; ...

2015-07-23

Here we explored the use of machine learning methods for classifying whether a particularABO 3chemistry forms a perovskite or non-perovskite structured solid. Starting with three sets of feature pairs (the tolerance and octahedral factors, theAandBionic radii relative to the radius of O, and the bond valence distances between theAandBions from the O atoms), we used machine learning to create a hyper-dimensional partial dependency structure plot using all three feature pairs or any two of them. Doing so increased the accuracy of our predictions by 2–3 percentage points over using any one pair. We also included the Mendeleev numbers of theAandBatomsmore » to this set of feature pairs. Moreover, doing this and using the capabilities of our machine learning algorithm, the gradient tree boosting classifier, enabled us to generate a new type of structure plot that has the simplicity of one based on using just the Mendeleev numbers, but with the added advantages of having a higher accuracy and providing a measure of likelihood of the predicted structure.« less

Magnetic field gradient driven self-assembly of superparamagnetic nanoparticles using programmable magnetically-recorded templates

NASA Astrophysics Data System (ADS)

Ye, L.; Qi, B.; Lawton, T. G.; Mefford, O. T.; Rinaldi, C.; Garzon, S.; Crawford, T. M.

2013-03-01

Using the enormous magnetic field gradients (100 MT/m @ z =20 nm) present near the surface of magnetic recording media, we demonstrate the fabrication of diffraction gratings with lines consisting entirely of magnetic nanoparticles assembled from a colloidal fluid onto a disk drive medium, followed by transfer to a flexible and transparent polymer thin film. These nanomanufactured gratings have line spacings programmed with commercial magnetic recording and are inherently concave with radii of curvature controlled by varying the polymer film thickness. The diffracted intensity increases non-monotonically with the length of time the colloidal fluid remains on the disk surface. In addition to comparing longitudinal and perpendicular magnetic recording, a combination of spectral diffraction efficiency measurements, magnetometry, scanning electron microscopy and inductively coupled plasma atomic emmission spectroscopy of these gratings are employed to understand colloidal nanoparticle dynamics in this extreme gradient limit. Such experiments are necessary to optimize nanoparticle assembly and obtain uniform patterned features. This low-cost and sustainable approach to nanomanufacturing could enable low-cost, high-quality diffraction gratings as well as more complex polymer nanocomposite materials assembled with single-nanometer precision.

Bioadsorption of Rare Earth Elements through Cell Surface Display of Lanthanide Binding Tags.

PubMed

Park, Dan M; Reed, David W; Yung, Mimi C; Eslamimanesh, Ali; Lencka, Malgorzata M; Anderko, Andrzej; Fujita, Yoshiko; Riman, Richard E; Navrotsky, Alexandra; Jiao, Yongqin

2016-03-01

With the increasing demand for rare earth elements (REEs) in many emerging clean energy technologies, there is an urgent need for the development of new approaches for efficient REE extraction and recovery. As a step toward this goal, we genetically engineered the aerobic bacterium Caulobacter crescentus for REE adsorption through high-density cell surface display of lanthanide binding tags (LBTs) on its S-layer. The LBT-displayed strains exhibited enhanced adsorption of REEs compared to cells lacking LBT, high specificity for REEs, and an adsorption preference for REEs with small atomic radii. Adsorbed Tb(3+) could be effectively recovered using citrate, consistent with thermodynamic speciation calculations that predicted strong complexation of Tb(3+) by citrate. No reduction in Tb(3+) adsorption capacity was observed following citrate elution, enabling consecutive adsorption/desorption cycles. The LBT-displayed strain was effective for extracting REEs from the acid leachate of core samples collected at a prospective rare earth mine. Our collective results demonstrate a rapid, efficient, and reversible process for REE adsorption with potential industrial application for REE enrichment and separation.

Gravitationally confined relativistic neutrinos

NASA Astrophysics Data System (ADS)

Vayenas, C. G.; Fokas, A. S.; Grigoriou, D.

2017-09-01

Combining special relativity, the equivalence principle, and Newton’s universal gravitational law with gravitational rather than rest masses, one finds that gravitational interactions between relativistic neutrinos with kinetic energies above 50 MeV are very strong and can lead to the formation of gravitationally confined composite structures with the mass and other properties of hadrons. One may model such structures by considering three neutrinos moving symmetrically on a circular orbit under the influence of their gravitational attraction, and by assuming quantization of their angular momentum, as in the Bohr model of the H atom. The model contains no adjustable parameters and its solution, using a neutrino rest mass of 0.05 eV/c2, leads to composite state radii close to 1 fm and composite state masses close to 1 GeV/c2. Similar models of relativistic rotating electron - neutrino pairs give a mass of 81 GeV/c2, close to that of W bosons. This novel mechanism of generating mass suggests that the Higgs mass generation mechanism can be modeled as a latent gravitational field which gets activated by relativistic neutrinos.

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

Stier, Andreas V.; McCreary, Kathleen M.; Jonker, Berend T.

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS 2 and MoS 2 in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately –230 μeV T–1 (g-factor ≃–4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS 2,more » from which radii of ~1.53 and ~1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). Lastly, these results highlight the utility of high magnetic fields for understanding new two-dimensional materials.« less

Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS2 and MoS2 to 65 Tesla

NASA Astrophysics Data System (ADS)

Stier, Andreas V.; McCreary, Kathleen M.; Jonker, Berend T.; Kono, Junichiro; Crooker, Scott A.

2016-02-01

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS2 and MoS2 in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately -230 μeV T-1 (g-factor ~=-4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS2, from which radii of ~1.53 and ~1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). These results highlight the utility of high magnetic fields for understanding new two-dimensional materials.

Heterogeneous nucleation of ice on carbon surfaces.

PubMed

Lupi, Laura; Hudait, Arpa; Molinero, Valeria

2014-02-26

Atmospheric aerosols can promote the heterogeneous nucleation of ice, impacting the radiative properties of clouds and Earth's climate. The experimental investigation of heterogeneous freezing of water droplets by carbonaceous particles reveals widespread ice freezing temperatures. It is not known which structural and chemical characteristics of soot account for the variability in ice nucleation efficiency. Here we use molecular dynamics simulations to investigate the nucleation of ice from liquid water in contact with graphitic surfaces. We find that atomically flat carbon surfaces promote heterogeneous nucleation of ice, while molecularly rough surfaces with the same hydrophobicity do not. Graphitic surfaces and other surfaces that promote ice nucleation induce layering in the interfacial water, suggesting that the order imposed by the surface on liquid water may play an important role in the heterogeneous nucleation mechanism. We investigate a large set of graphitic surfaces of various dimensions and radii of curvature and find that variations in nanostructures alone could account for the spread in the freezing temperatures of ice on soot in experiments. We conclude that a characterization of the nanostructure of soot is needed to predict its ice nucleation efficiency.

A polarized neutron study of the magnetization distribution in Co₂FeSi.

PubMed

Brown, P J; Kainuma, R; Kanomata, T; Neumann, K-U; Okubo, A; Umetsu, R Y; Ziebeck, K R A

2013-05-22

The magnetization distribution in Co2FeSi which has the largest moment per formula unit ∼6 μB of all Heusler alloys, has been determined using polarized neutron diffraction. The experimentally determined magnetization has been integrated over spheres centred on the three sites of the L12 structure giving μ Fe = 3.10(3) μB and μ Co = 1.43(2) μB, results which are slightly lower than the moments in atomic spheres of similar radii obtained in recent LDA + U band structure calculations (Li et al 2010 Chin. Phys. B 19 097102). Approximately 50% of the magnetic carriers at the Fe sites were found to be in orbitals with eg symmetry. This was higher, ≃65%, at the Co sites. Both Fe and Co were found to have orbital moments that are larger than those predicted. Comparison with similar results obtained for related alloys suggests that there must be a finite density of states in both spin bands at the Fermi energy indicating that Co2FeSi is not a perfect half-metallic ferromagnet.

Bioadsorption of rare earth elements through cell surface display of lanthanide binding tags

DOE PAGES

Park, Dan M.; Reed, David W.; Yung, Mimi C.; ...

2016-02-02

In this study, with the increasing demand for rare earth elements (REEs) in many emerging clean energy technologies, there is an urgent need for the development of new approaches for efficient REE extraction and recovery. As a step toward this goal, we genetically engineered the aerobic bacterium Caulobacter crescentus for REE adsorption through high-density cell surface display of lanthanide binding tags (LBTs) on its S-layer. The LBT-displayed strains exhibited enhanced adsorption of REEs compared to cells lacking LBT, high specificity for REEs, and an adsorption preference for REEs with small atomic radii. Adsorbed Tb 3+ could be effectively recovered usingmore » citrate, consistent with thermodynamic speciation calculations that predicted strong complexation of Tb 3+ by citrate. No reduction in Tb 3+ adsorption capacity was observed following citrate elution, enabling consecutive adsorption/desorption cycles. The LBT-displayed strain was effective for extracting REEs from the acid leachate of core samples collected at a prospective rare earth mine. Our collective results demonstrate a rapid, efficient, and reversible process for REE adsorption with potential industrial application for REE enrichment and separation.« less

An Assessment of Curve of Spee in Healthy Human Permanent Dentitions: A Cross Sectional Analytical Study in a Group of Young Indian Population.

PubMed

Krishnamurthy, Sushma; Hallikerimath, Rajendra B; Mandroli, Praveenkumar S

2017-01-01

An awareness of the standard value of the maxillary and the mandibular curves of Spee may aid the clinician in developing occlusion in the sagittal plane and would be useful when providing prosthetic rehabilitation for patients with occlusal derangement. To assess and compare the radius and depth of curve of Spee in maxillary and mandibular arches in men and women, in a group of young Indian population. The study cohort consisted of 25 men and 25 women between 19 to 24 years. Impression of maxillary and mandibular arches were made with alginate. Casts were poured in die stone. Standardized digital pictures of the right side of maxillary and mandibular dental casts were made with a digital camera and transferred to a computer. Tips of the distal cusps of molars, premolars and canines of the maxilla and mandible were located. The radius and the depth of the curve of Spee were measured from the digital photographs of dental casts, with the help of 'dimension tool' in the computer software (Corel DRAW X5). Mann-Whitney test was used to analyze the difference in the curve of Spee between men and women and the difference between maxillary and mandibular arches. The mean values were as follows: a) Men: Radii of curve of Spee in the maxillary and mandibular arch were 140.22±65.98 and 109.67±46.80 respectively; depths of curve of Spee in maxillary and mandibular arch were 1.65±0.67 and 1.49±0.74 respectively; b) Women: Radii of curve of Spee in the maxillary and mandibular arch were 120.58±63.91 and 98.31±63.59 respectively; depths of curve of Spee in maxillary and mandibular arch were 1.45±0.54 and 1.40±0.61 respectively. In the mandibular arch, the difference in the radii (p=0.0467) was statistically significant between men and women. In women, the difference in radii (p=0.0467) between maxillary and mandibular arches was statistically significant. The radii and depths of curve of Spee were larger in maxillary than mandibular arches in both men and women. Also, the difference in the radii of mandibular arch was statistically significant between men and women.

Atom Probe Tomography of Geomaterials

NASA Astrophysics Data System (ADS)

Parman, S. W.; Diercks, D.; Gorman, B.; Cooper, R. F.

2013-12-01

From the electron microprobe to the secondary ion microprobe to laser-ablation ICP-MS, steady improvements in the spatial resolution and detection limits of geochemical micro-analysis have been central to generating new discoveries. Atom probe tomography (APT) is a relatively new technology that promises nm-scale spatial resolution (in three dimensions) with ppm level detection limits. The method is substantially different from traditional beam-based (electron, ion, laser) methods. In APT, the sample is shaped (usually with a dual-beam FIB) into a needle with typical dimensions of 1-2 μm height and 100-200 nm diameter. Within the atom probe, the needle is evaporated one atom (ideally) at a time by a high electric field (ten's of V per square nm at the needle tip). A femtosecond laser (12 ps pulse width) is used to assist in evaporating non-conducting samples. The two-dimensional detector locates where the atom was released from the needle's surface and so can reconstruct the positions of all detected atoms in three dimensions. It also records the time of flight of the ion, which is used to calculate the mass/charge ratio of the ion. We will discuss our results analyzing a range of geologic materials. In one case, naturally occurring platinum group alloys (PGA) from the Josephine Ophiolite have been imaged. Such alloys are of interest as recorders of the Os heterogeneity of the mantle [1,2]. Optimal ablation was achieved with a laser power of 120-240 pJ and laser pulse rates 500 kHz. Runs were stopped after 10 million atoms were imaged. An example analysis is: Pt 61(1), Fe 26.1(9), Rh 1.20(4), Ir 7.0(7), Ni 2.65(8), Ru 0.20(9), Cu 1.22(8), Co 0.00029(5). Values are in atomic %; values in parentheses are one-sigma standard deviations on five separate needles from the same FIB lift-out, which was 30 μm long. Assuming the sample is homogenous over the 30 μm from which the needle was extracted, the analyses suggest relative errors for major elements below 5% and for trace elements (100ppm level) below 20%. The images of the PGA grains have sub-nm spatial resolution, remarkably showing clear atomic planes of the hexoctahedral structure. Conducting materials such as the PGA grains are ideal materials for APT analysis. Silicates present a much more challenging target due to their electrical resistance and strong metal-oxygen bonds. The oxide bonds are difficult to break, resulting in ablation of oxide molecules with various charge states. These cause multiple interferences for many major elements of interest such as Si, Fe, Mg and Ca. We have imaged a range of olivine compositions (Fo0 to Fo90). Due to its higher electrical conductivity, fayalite evaporates at lower field voltages than more Mg-rich olivines. The spatial resolution is ~nm scale, so atomic planes are not resolvable. Chemical analyses are improved by low laser energies (<0.1pJ) at laser pulse rates of 500 kHz, as well as by large tip radii, which improves heat diffusion out of the needle. [1] Pearson et al 2007 Nature 449: 202-205 [2] Luguet et al 2008 Science 319: 453-456

Nuclear equation of state from ground and collective excited state properties of nuclei

NASA Astrophysics Data System (ADS)

Roca-Maza, X.; Paar, N.

2018-07-01

This contribution reviews the present status on the available constraints to the nuclear equation of state (EoS) around saturation density from nuclear structure calculations on ground and collective excited state properties of atomic nuclei. It concentrates on predictions based on self-consistent mean-field calculations, which can be considered as an approximate realization of an exact energy density functional (EDF). EDFs are derived from effective interactions commonly fitted to nuclear masses, charge radii and, in many cases, also to pseudo-data such as nuclear matter properties. Although in a model dependent way, EDFs constitute nowadays a unique tool to reliably and consistently access bulk ground state and collective excited state properties of atomic nuclei along the nuclear chart as well as the EoS. For comparison, some emphasis is also given to the results obtained with the so called ab initio approaches that aim at describing the nuclear EoS based on interactions fitted to few-body data only. Bridging the existent gap between these two frameworks will be essential since it may allow to improve our understanding on the diverse phenomenology observed in nuclei. Examples on observations from astrophysical objects and processes sensitive to the nuclear EoS are also briefly discussed. As the main conclusion, the isospin dependence of the nuclear EoS around saturation density and, to a lesser extent, the nuclear matter incompressibility remain to be accurately determined. Experimental and theoretical efforts in finding and measuring observables specially sensitive to the EoS properties are of paramount importance, not only for low-energy nuclear physics but also for nuclear astrophysics applications.

Intramolecular chalcogen-tin interactions in [(o-MeE-C6H4)CH2]2SnPh2-nCln; E = S, O, CH2, n = 0, 1, 2 and intermolecular chlorine-tin interactions in the meta and para-methoxy isomers

PubMed Central

Vargas-Pineda, Diana Gabriela; Guardado, Tanya; Cervantes-Lee, Francisco; Metta-Magana, Alejandro J.

2010-01-01

Organotin(IV) compounds of the type [(o-MeE-C6H4)CH2]2SnPh2-nCln were synthesized, E = O, n = 0 (1), n = 1 (2), n = 2 (3), E = S, n = 0 (4), n = 1 (5), n = 2 (6) and E = CH2, n = 0 (7), n = 1 (8), n = 2 (9). The dichloro compounds 3 and 6 have been investigated by single crystal X-ray diffraction and exhibit bi-capped tetrahedral geometry at the tin atom as a consequence of significant intramolecular Sn⋯O (3) and Sn⋯S (6) secondary bonding, in monomolecular units. Compound 3 when crystallized from a hexane/thf solvent mixture shows two different conformers, 3′ and 3″, in the crystal structure, 3′ has two equivalent Sn⋯O interactions, while 3″ has two non-equivalent Sn⋯O interactions. Upon recrystallization of 3 from hexane only a single structural form is observed, 3′. The Sn⋯E distances in 3′, 3″, and 6 are 71.3; 73.5, 72.9; and 76.3% of the ΣvdW radii, respectively. The meta and para-substituted isomers of 3 (10, 11) exhibit a distortion at the tin atom due to self-association via intermolecular Sn⋯Cl interactions resulting in polymeric structures. 119Sn NMR spectroscopy suggests that the intramolecular Sn⋯E interactions persist in solution for the dichloride compounds 3 and 6. PMID:20047301

Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.

PubMed

Frembgen-Kesner, Tamara; Andrews, Casey T; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A; Jain, Aakash; Olayiwola, Oluwatoni J; Weishaar, Mitch R; Elcock, Adrian H

2015-05-12

Recently, we reported the parametrization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral, and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral, and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downward in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multidomain proteins connected by flexible linkers.

Multi-component Cu-Strengthened Steel Welding Simulations: Atom Probe Tomography and Synchrotron X-ray Diffraction Analyses

NASA Astrophysics Data System (ADS)

Hunter, Allen H.; Farren, Jeffrey D.; DuPont, John N.; Seidman, David N.

2015-07-01

An experimental steel with the composition Fe-1.39Cu-2.70Ni-0.58Al-0.48Mn-0.48Si-0.065Nb-0.05C (wt pct) or alternatively Fe-1.43Cu-2.61Ni-1.21Al-0.48Mn-0.98Si-0.039Nb-0.23C (at. pct) has been developed at Northwestern University, which has both high toughness and high strength after quenching and aging treatments. Simulated heat-affected zone (HAZ) samples are utilized to analyze the microstructures typically obtained after gas metal arc welding (GMAW). Dissolution within the HAZ of cementite (Fe3C) and NbC (F.C.C.) is revealed using synchrotron X-ray diffraction, while dissolution of Cu precipitates is measured employing local electrode atom probe tomography. The results are compared to Thermo-Calc equilibrium calculations. Comparison of measured Cu precipitate radii, number density, and volume fraction with similar measurements from a GMAW sample suggests that the cooling rate in the simulations is faster than in the experimental GMAW sample, resulting in significantly less Cu precipitate nucleation and growth during the cooling part of the weld thermal cycle. The few Cu precipitates detected in the simulated samples are primarily located on grain boundaries resulting from heterogeneous nucleation. The dissolution of NbC precipitates and the resultant austenite coarsening in the highest-temperature sample, coupled with a rapid cooling rate, results in the growth of bainite, and an increase in the strength of the matrix in the absence of significant Cu precipitation.

Effective field theory description of halo nuclei

NASA Astrophysics Data System (ADS)

Hammer, H.-W.; Ji, C.; Phillips, D. R.

2017-10-01

Nuclear halos emerge as new degrees of freedom near the neutron and proton driplines. They consist of a core and one or a few nucleons which spend most of their time in the classically-forbidden region outside the range of the interaction. Individual nucleons inside the core are thus unresolved in the halo configuration, and the low-energy effective interactions are short-range forces between the core and the valence nucleons. Similar phenomena occur in clusters of 4He atoms, cold atomic gases near a Feshbach resonance, and some exotic hadrons. In these weakly-bound quantum systems universal scaling laws for s-wave binding emerge that are independent of the details of the interaction. Effective field theory (EFT) exposes these correlations and permits the calculation of non-universal corrections to them due to short-distance effects, as well as the extension of these ideas to systems involving the Coulomb interaction and/or binding in higher angular-momentum channels. Halo nuclei exhibit all these features. Halo EFT, the EFT for halo nuclei, has been used to compute the properties of single-neutron, two-neutron, and single-proton halos of s-wave and p-wave type. This review summarizes these results for halo binding energies, radii, Coulomb dissociation, and radiative capture, as well as the connection of these properties to scattering parameters, thereby elucidating the universal correlations between all these observables. We also discuss how Halo EFT's encoding of the long-distance physics of halo nuclei can be used to check and extend ab initio calculations that include detailed modeling of their short-distance dynamics.

Multiple Paths of Deuterium Fractionation in Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Aikawa, Yuri; Furuya, Kenji; Hincelin, Ugo; Herbst, Eric

2018-03-01

We investigate deuterium chemistry coupled with the nuclear spin-state chemistry of H2 and {{{H}}}3+ in protoplanetary disks. Multiple paths of deuterium fractionation are found; exchange reactions with D atoms, such as HCO+ + D, are effective in addition to those with HD. In a disk model with grain sizes appropriate for dark clouds, the freeze-out of molecules is severe in the outer midplane, while the disk surface is shielded from UV radiation. Gaseous molecules, including DCO+, thus become abundant at the disk surface, which tends to make their column density distribution relatively flat. If the dust grains have grown to millimeter size, the freeze-out rate of neutral species is reduced and the abundances of gaseous molecules, including DCO+ and N2D+, are enhanced in the cold midplane. Turbulent diffusion transports D atoms and radicals at the disk surface to the midplane, and stable ice species in the midplane to the disk surface. The effects of turbulence on chemistry are thus multifold; while DCO+ and N2D+ abundances increase or decrease depending on the regions, HCN and DCN in the gas and ice are greatly reduced at the innermost radii, compared to the model without turbulence. When cosmic rays penetrate the disk, the ortho-to-para ratio (OPR) of H2 is found to be thermal in the disk, except in the cold (≲10 K) midplane. We also analyze the OPR of {{{H}}}3+ and H2D+, as well as the main reactions of H2D+, DCO+, and N2D+, in order to analytically derive their abundances in the cold midplane.

Matter radii of {sup 32-35}Mg

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

Kanungo, R.; Perro, C.; Prochazka, A.

The interaction cross sections of {sup 32-35}Mg at 900A MeV have been measured using the fragment separator at GSI. The deviation from the r{sub 0}A{sup 1/3} trend is slightly larger for {sup 35}Mg, signaling the possible formation of a longer tail in the neutron distribution for {sup 35}Mg. The radii extracted from a Glauber model analysis with Fermi densities are consistent with models predicting the development of neutron skins.

Bose-Einstein correlations in p p ,   p Pb , and PbPb collisions at s N N = 0.9 – 7 TeV

DOE PAGES

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

2018-06-14

Here, quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at √s = 0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (k T) and the charged-particle multiplicity in themore » event. For all systems, the extracted correlation radii steadily increase with the event multiplicity, and decrease with increasing k T. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and k T largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Bose-Einstein correlations in $$pp, p\\mathrm{Pb}$$, and PbPb collisions at $$\\sqrt{{s}_{NN}}=0.9-7$$ TeV

DOE PAGES

Sirunyan, Albert M; et al.

2018-06-15

Quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at s=0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (kT) and the charged-particle multiplicity in the event. For all systems, the extractedmore » correlation radii steadily increase with the event multiplicity, and decrease with increasing kT. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and kT largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Uniform spatial distribution of collagen fibril radii within tendon implies local activation of pC-collagen at individual fibrils

NASA Astrophysics Data System (ADS)

Rutenberg, Andrew D.; Brown, Aidan I.; Kreplak, Laurent

2016-08-01

Collagen fibril cross-sectional radii show no systematic variation between the interior and the periphery of fibril bundles, indicating an effectively constant rate of collagen incorporation into fibrils throughout the bundle. Such spatially homogeneous incorporation constrains the extracellular diffusion of collagen precursors from sources at the bundle boundary to sinks at the growing fibrils. With a coarse-grained diffusion equation we determine stringent bounds, using parameters extracted from published experimental measurements of tendon development. From the lack of new fibril formation after birth, we further require that the concentration of diffusing precursors stays below the critical concentration for fibril nucleation. We find that the combination of the diffusive bound, which requires larger concentrations to ensure homogeneous fibril radii, and lack of nucleation, which requires lower concentrations, is only marginally consistent with fully processed collagen using conservative bounds. More realistic bounds may leave no consistent concentrations. Therefore, we propose that unprocessed pC-collagen diffuses from the bundle periphery followed by local C-proteinase activity and subsequent collagen incorporation at each fibril. We suggest that C-proteinase is localized within bundles, at fibril surfaces, during radial fibrillar growth. The much greater critical concentration of pC-collagen, as compared to fully processed collagen, then provides broad consistency between homogeneous fibril radii and the lack of fibril nucleation during fibril growth.

Bose-Einstein correlations in $$pp, p\\mathrm{Pb}$$, and PbPb collisions at $$\\sqrt{{s}_{NN}}=0.9-7$$ TeV

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

Sirunyan, Albert M; et al.

Quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at s=0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (kT) and the charged-particle multiplicity in the event. For all systems, the extractedmore » correlation radii steadily increase with the event multiplicity, and decrease with increasing kT. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and kT largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Bose-Einstein correlations in p p ,   p Pb , and PbPb collisions at s N N = 0.9 – 7 TeV

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

Sirunyan, A. M.; Tumasyan, A.; Adam, W.

Here, quantum-statistical (Bose-Einstein) two-particle correlations are measured in pp collisions at √s = 0.9, 2.76, and 7 TeV, as well as in pPb and peripheral PbPb collisions at nucleon-nucleon center-of-mass energies of 5.02 and 2.76 TeV, respectively, using the CMS detector at the Large Hadron Collider. Separate analyses are performed for same-sign unidentified charged particles as well as for same-sign pions and kaons identified via their energy loss in the silicon tracker. The characteristics of the one-, two-, and three-dimensional correlation functions are studied as functions of the pair average transverse momentum (k T) and the charged-particle multiplicity in themore » event. For all systems, the extracted correlation radii steadily increase with the event multiplicity, and decrease with increasing k T. The radii are in the range 1–5 fm, the largest values corresponding to very high multiplicity pPb interactions and to peripheral PbPb collisions with multiplicities similar to those seen in pPb data. It is also observed that the dependencies of the radii on multiplicity and k T largely factorize. At the same multiplicity, the radii are relatively independent of the colliding system and center-of-mass energy.« less

Lightning energetics: Estimates of energy dissipation in channels, channel radii, and channel-heating risetimes

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

Borovsky, J.E.

1998-05-01

In this report, several lightning-channel parameters are calculated with the aid of an electrodynamic model of lightning. The electrodynamic model describes dart leaders and return strokes as electromagnetic waves that are guided along conducting lightning channels. According to the model, electrostatic energy is delivered to the channel by a leader, where it is stored around the outside of the channel; subsequently, the return stroke dissipates this locally stored energy. In this report this lightning-energy-flow scenario is developed further. Then the energy dissipated per unit length in lightning channels is calculated, where this quantity is now related to the linear chargemore » density on the channel, not to the cloud-to-ground electrostatic potential difference. Energy conservation is then used to calculate the radii of lightning channels: their initial radii at the onset of return strokes and their final radii after the channels have pressure expanded. Finally, the risetimes for channel heating during return strokes are calculated by defining an energy-storage radius around the channel and by estimating the radial velocity of energy flow toward the channel during a return stroke. In three appendices, values for the linear charge densities on lightning channels are calculated, estimates of the total length of branch channels are obtained, and values for the cloud-to-ground electrostatic potential difference are estimated. {copyright} 1998 American Geophysical Union« less

Reinflating Giant Planets

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2017-01-01

Two new, large gas-giant exoplanets have been discovered orbiting close to their host stars. A recent study examining these planets and others like them may help us to better understand what happens to close-in hot Jupiters as their host stars reach the end of their main-sequence lives.OversizedGiantsUnbinned transit light curves for HAT-P-65b. [Adapted from Hartman et al. 2016]The discovery of HAT-P-65b and HAT-P-66b, two new transiting hot Jupiters, is intriguing. These planets have periods of just under 3 days and masses of roughly 0.5 and 0.8 times that of Jupiter, but their sizes are whats really interesting: they have inflated radii of 1.89 and 1.59 times that of Jupiter.These two planets, discovered using the Hungarian-made Automated Telescope Network (HATNet) in Arizona and Hawaii, mark the latest in an ever-growing sample of gas-giant exoplanets with radii larger than expected based on theoretical planetary structure models.What causes this discrepancy? Did the planets just fail to contract to the expected size when they were initially formed, or were they reinflated later in their lifetimes? If the latter, how? These are questions that scientists are only now starting to be able to address using statistics of the sample of close-in, transiting planets.Unbinned transit light curves for HAT-P-66b. [Hartman et al. 2016]Exploring Other PlanetsLed by Joel Hartman (Princeton University), the team that discovered HAT-P-65b and HAT-P-66b has examined these planets observed parameters and those of dozens of other known close-in, transiting exoplanets discovered with a variety of transiting exoplanet missions: HAT, WASP, Kepler, TrES, and KELT. Hartman and collaborators used this sample to draw conclusions about what causes some of these planets to have such large radii.The team found that there is a statistically significant correlation between the radii of close-in giant planets and the fractional ages of their host stars (i.e., the stars age divided by its full expected lifetime). The two newly discovered hot Jupiters with inflated radii, for instance, are orbiting stars that are roughly 84% and 83% through their life spans and are approaching the main-sequence turnoff point.Late-Life ReinflationFractional age of the host stars of close-in transiting exoplanets vs. the planets radius. There is a statistically significant correlation between age and planet radius. [Adapted from Hartman et al. 2016]Hartman and collaborators propose that the data support the following scenario: as host stars evolve and become more luminous toward the ends of their main-sequence lifetimes, they deposit more energy deep into the interiors of the planets closely orbiting them. These close-in planets then increase their equilibrium temperatures and their radii reinflate as a result.Based on these results, we would expect to continue to find hot Jupiters with inflated radii primarily orbiting closely around older stars. Conversely, close-in giant planets around younger stars should primarily have non-inflated radii. As we continue to build our observational sample of transiting hot Jupiters in the future, we will be able to see how this model holds up.CitationJ. D. Hartman et al 2016 AJ 152 182. doi:10.3847/0004-6256/152/6/182

Corneal topography with an aberrometry-topography system.

PubMed

Mülhaupt, Michael; Dietzko, Sven; Wolffsohn, James; Bandlitz, Stefan

2018-05-07

To investigate the agreement between the central corneal radii and corneal eccentricity measurements generated by the new Wave Analyzer 700 Medica (WAV) compared to the Keratograph 4 (KER) and to test the repeatability of the instruments. 20 subjects (10 male, mean age 29.1 years, range 21-50 years) were recruited from the students and staff of the Cologne School of Optometry. Central corneal radii for the flat (r c/fl ) and steep (r c/st ) meridian as well as corneal eccentricity for the nasal (e nas ), temporal (e temp ), inferior (e inf ) and superior (e sup ) directions were measured using WAV and KER by one examiner in a randomized order. Central radii of the flat (r c/fl ) and steep (r c/st ) meridian measured with both instruments were statically significantly correlated (r = 0.945 and r = 0.951; p < 0.001). Comparison between the WAV and KER showed that r c/fl and r c/st measured with WAV were significantly steeper than those measured with KER (p < 0.001). Corneal eccentricities were statistically significantly correlated in all meridians (p < 0.05). Compared to KER, e temp and e sup measured with WAV were greater (p < 0.05), while there were no statistically significant differences for e nas and e inf (p = 0.350 and p = 0.083). For the central radii, repeated measurements were not significantly different for the KER or WAV (p > 0.05). Limits of agreement (LoA) indicate a better repeatability for the KER compared to WAV. Corneal topography measurements captured with the WAV were strongly correlated with the KER. However, due to the differences in measured corneal radii and eccentricities, the devices cannot be used interchangeably. For corneal topography the KER demonstrated better repeatability. Copyright © 2018 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

Modelling the Diversity of Outer Planetary Systems

NASA Technical Reports Server (NTRS)

Lissauer, Jack J.; Levison, H. F.; Duncan, M. J.; DeVincenzi, Donald L. (Technical Monitor)

1998-01-01

The process of planetary growth is extremely complicated, involving a myriad of physical and chemical processes, many of which are poorly understood. The ultimate configuration that a planetary system attains depends upon the properties of the disk out of which it grew, of the star at the center of the disk and, at least in some cases, of the interstellar environment. In an effort to numerically survey the possible diversity of planetary systems, we have constructed synthetic systems of giant planets and integrated their orbits to determine the dynamical lifetimes and thus the viability of these systems. Our construction algorithm begins with 110 -- 180 planetesimals located between 4 and 40 AU from a one solar mass star; most initial planetesimals have masses several tenths that of Earth. We integrate the orbits of these bodies subject to mutual gravitational perturbations and -as drag for 10(exp 6) - 10(exp 7) years, merging any pair of planetesimals which pass within one-tenth of a Hill Sphere of one another and adding "gas" to embryos larger than 10 Earth masses. Use of such large planetesimal radii provided sufficient damping to prevent the system from excessive dynamical heating. Subsequently, systems were evolved without gas drag, either with the enlarged radii or with more realistic radii. Systems took from a few million years to greater than ten billion years to become stable (10(exp 9) years without mergers of ejections). Some of the systems produced with the enlarged radii closely resemble our outer Solar System. Many systems contained only Uranus-mass objects. Encounters in simulations using realistic radii resulted in ejections, typically leaving only a few planets per system, most of which were on very eccentric orbits. Some of the systems that we constructed were stable for at least a billion years despite undergoing macroscopic orbital changes on much shorter timescales.

Large N[sub c], constituent quarks, and N, [Delta] charge radii

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

Alfons J. Buchmann; Richard F. Lebed.

2000-03-01

The authors show how one may define baryon constituent quarks in a rigorous manner, given physical assumptions that hold in the large-N[sub c] limit of QCD. This constituent picture gives rise to an operator expansion that has been used to study large-N[sub c] baryon observables; here they apply it to the case of charge radii of the N and [Delta] states. For example, one finds the relation r[sub p][sup 2] [minus] r[sub [Delta][sup +

The measurement of the size distribution of artificial fogs

NASA Technical Reports Server (NTRS)

Deepak, A.; Cliff, W. C.; Mcdonald, J. R.; Ozarski, R.; Thomson, J. A. L.; Huffaker, R. M.

1974-01-01

The size-distribution of the fog droplets at various fog particle concentrations in fog chamber was determined by two methods: (1) the Stokes' velocity photographic method and (2) using the active scattering particle spectrometer. It is shown that the two techniques are accurate in two different ranges of particle size - the former in the radii range (0.1 micrometers to 10.0 micrometers), and the latter for radii greater than 10.0 micrometers. This was particularly true for high particle concentration, low visibility fogs.

Mass Dependence of the HBT Radii Observed in e+e- Annihilation

NASA Astrophysics Data System (ADS)

Bialas, A.; Zalewski, K.

1999-02-01

It is shown that the recently established strong mass-dependence of the radii of the hadron sources, as observed in HBT analyses of the e+e- annihilation, can be explained by assuming a generalized inside--outside cascade, i.e. that (i) the four-momenta and the space-time position four-vectors of the produced particles are approximately proportional to each other and (ii) the ``freeze-out'' times are distributed along the hyperbola t2-z2= τ02.

Aerosol sampling for the August 7th, and 9th, 1985 SAGE II validation experiment

NASA Technical Reports Server (NTRS)

Oberbeck, V. R.; Pueschel, R.; Ferry, G.; Livingston, J.; Fong, W.

1986-01-01

Comparisons are made between aerosol size distributions measured by instrumented aircraft and the SAGE II sensor on the ERB satellite performing limb scans of the same atmospheric region. Particle radii ranging from 0.0001-200 microns were detected, with good agreement being obtained between the size distributions detected by impactors and probes at radii over 0.15 micron. The distributions were used to calculate aerosol extinction values which were compared with values from SAGE II scans.

Radial migration in numerical simulations of Milky-Way sized galaxies

NASA Astrophysics Data System (ADS)

Grand, R. J. J.; Kawata, D.

2016-09-01

We show that in ßrm N-body simulations of isolated spiral discs, spiral arms appear to transient, recurring features that co-rotate with the stellar disc stars at all radii. As a consequence, stars around the spiral arm continually feel a tangential force from the spiral and gain/lose angular momentum at all radii where spiral structure exists, without gaining significant amounts of random energy. We demonstrate that the ubiquitous radial migration in these simulations can be seen as outward (inward) systematic streaming motions along the trailing (leading) side of the spiral arms. We characterise these spiral induced peculiar motions and compare with those of the Milky Way obtained from APOGEE red clump data. We find that transient, co-rotating spiral arms are consistent with the data, in contrast with density wave-like spirals which are qualitatively inconsistent. In addition, we show that, in our simulations, radial migration does not change the radial metallicity gradient significantly, and broadens the metallicity distribution function at all radii, similar to some previous studies.

Radii in the sd shell and the 1s 1/2 “halo” orbit: A game changer

NASA Astrophysics Data System (ADS)

Bonnard, J.; Zuker, A. P.

2018-05-01

A new microscopic parametrisation of nuclear radii as a functional of single-particle occupation numbers is presented. Its form is inspired by the Duflo-Zuker phenomenological fit which contains a “correlation” term that recently made it possible to understand the isotope shifts of several species as due to unexpectedly large 1s 1/2 and 1p orbits [Bonnard J, Lenzi S M and Zuker A P 2016 Phys. Rev. Lett. 116 212501]. It will be shown that the calculated radii for sd-shell nuclei reproduce the experimental data better than the most accurate existing fits. These results reveal a very peculiar behaviour of the 1s 1/2 orbit: It is huge (about 1.6 fm bigger than its d counterparts of about 3.5 fm) up to N, Z = 14, then drops abruptly but remains some 0.6 fm larger than the d orbits. An intriguing mechanism bound to challenge our understanding of shell formation.

The moderately interacting Algol-type eclipsing binary RY Geminorum

NASA Technical Reports Server (NTRS)

Plavec, Mirek J.; Dobias, Jan J.

1987-01-01

Ultraviolet spectra of the Algol-type semidetached system RY Geminorum, whose components can be described as A0 V and K0 IV, have been matched to the ultraviolet spectrum by Kurucz (1979) model atmospheres, and a best fit is found for T(eff) = 9150 K. Comparison with standard star spectra requires that this value be raised to 9400 K. The color excess of the system is determined to be no more than E(B-V) = 0.03 mag; the distance to the system is about 360 pc. The masses are approximately 2.36 and 0.38 solar masses, and the radii are 2.5 and 5.8 solar radii, respectively. The separation of the two centers is 26 solar radii. Evidence for a circumstellar line absorption is found in optical and ultraviolet spectrograms, and evidence is found in IUE spectra taken in partial eclipse for circumstellar emission lines of the type detected previously in the WS Serpentis stars and in several semidetected systems of the Algol type.

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

MacDonald, James; Mullan, D. J.

KIC 7177553 is a quadruple system containing two binaries of orbital periods 16.5 and 18 days. All components have comparable masses and are slowly rotating with spectral types of ∼G2V. The longer period binary is eclipsing with component masses and radii M {sub 1} = 1.043 ± 0.014 M {sub ⊙}, R {sub 1} = 0.940 ± 0.005 R {sub ⊙} and M {sub 2} = 0.986 ± 0.015 M {sub ⊙}, R {sub 2} = 0.941 ± 0.005 R {sub ⊙}. The essentially equal radii measurements are inconsistent with the two stars being on the man sequence at themore » same age using standard nonmagnetic stellar evolution models. Instead a consistent scenario is found if the stars are in their pre-main-sequence phase of evolution and have an age of 32–36 Myr. We have also computed evolutionary models of magnetic stars, but we find that our nonmagnetic models fit the empirical radii and effective temperatures better than the magnetic models.« less

Central Pb+Pb collisions at 158 A GeV/c studied by $$\\pi^-\\pi^-$$ interferometry

DOE PAGES

Aggarwal et al., M. M.

2000-05-18

Two-particle correlations have been measured for identifiedmore » $$\\pi^-$$ from central 158 A GeV Pb+Pb collisions and fitted radii of about 7 fm in all dimensions have been obtained. A multi-dimensional study of the radii as a function of k T is presented, including a full correction for the resolution effects of the apparatus. The cross term R 2 out-long of the standard fit in the Longitudinally CoMoving System (LCMS) and the v L parameter of the generalised Yano-Koonin fit are compatible with o, suggesting that the source undergoes a boost invariant expansion. The shapes of the correlation functions in Q inv and Q space = √Q$$2\\atop{x}$$ + Q$$2\\atop{y}$$ + Q$$2\\atop{z}$$ have been analyzed in detail. They are not Gaussian but better represented by exponentials. As a consequence fitting Gaussians to these correlation functions may produce different radii depending on the acceptance of the experimental setup used for the measurement.« less

The radii of Uranian rings alpha, beta, gamma, delta, epsilon, eta, 4, 5, and 6 from their occultations of SAO 158687

NASA Technical Reports Server (NTRS)

Elliot, J. L.; Dunham, E.; Wasserman, L. H.; Millis, R. L.; Churms, J.

1978-01-01

All available timing data for the occultations of SAO 158687 on March 10, 1977, by the cited rings of Uranus are analyzed. Least-squares fits to the data are performed using a model which postulates that rings alpha, beta, gamma, and delta are circular and coplanar. A solution obtained under the assumption that the ring plane coincides with the plane of the satellite orbits is adopted which yields radii of 44,844 km for ring alpha, 45,799 km for ring beta, 47,746 km for ring gamma, and 48,423 km for ring delta. The uncertainties in these values are discussed along with the apparent shapes and inclinations of these main rings. The mean radii estimated for the other rings are: 47,323 km for ring eta, 42,663 km for ring 4, 42,360 km for ring 5, and 41,980 km for ring 6.

Conventional empirical law reverses in the phase transitions of 122-type iron-based superconductors

DOE PAGES

Yu, Zhenhai; Wang, Lin; Wang, Luhong; ...

2014-11-24

Phase transition of solid-state materials is a fundamental research topic in condensed matter physics, materials science and geophysics. It has been well accepted and widely proven that isostructural compounds containing different cations undergo same pressure-induced phase transitions but at progressively lower pressures as the cation radii increases. However, we discovered that this conventional law reverses in the structural transitions in 122-type iron-based superconductors. In this report, a combined low temperature and high pressure X-ray diffraction (XRD) measurement has identified the phase transition curves among the tetragonal (T), orthorhombic (O) and the collapsed-tetragonal (cT) phases in the structural phase diagram ofmore » the iron-based superconductor AFe 2As 2 (A = Ca, Sr, Eu, and Ba). As a result, the cation radii dependence of the phase transition pressure (T → cT) shows an opposite trend in which the compounds with larger ambient radii cations have a higher transition pressure.« less

Flexible Thick-Film Electrochemical Sensors: Impact of Mechanical Bending and Stress on the Electrochemical Behavior

PubMed Central

Cai, Jiaying; Cizek, Karel; Long, Brenton; McAferty, Kenyon; Campbell, Casey G.; Allee, David R.; Vogt, Bryan D.; La Belle, Jeff; Wang, Joseph

2009-01-01

The influence of the mechanical bending, rolling and crimping of flexible screen-printed electrodes upon their electrical properties and electrochemical behavior has been elucidated. Three different flexible plastic substrates, Mylar, polyethylene naphthalate (PEN), and Kapton, have been tested in connection to the printing of graphite ink working electrodes. Our data indicate that flexible printed electrodes can be bent to extremely small radii of curvature and still function well, despite a marginal increase the electrical resistance. Below critical radii of curvature of ~8 mm, full recovery of the electrical resistance occurs upon strain release. The electrochemical response is maintained for sub-mm bending radii and a 180° pinch of the electrode does not lead to device failure. The electrodes appear to be resistant to repeated bending. Such capabilities are demonstrated using model compounds, including ferrocyanide, trinitrotoluene (TNT) and nitronaphthalene (NN). These printed electrodes hold great promise for widespread applications requiring flexible, yet robust non-planar sensing devices. PMID:20160861

Global geodesy using GPS without fiducial sites

NASA Technical Reports Server (NTRS)

Heflin, Michael; Bertiger, Willy; Blewitt, Geoff; Freedman, Adam; Hurst, Ken; Lichten, Steve; Lindqwister, Ulf; Vigue, Yvonne; Webb, Frank; Yunck, Tom

1992-01-01

Baseline lengths and geocentric radii have been determined from GPS data without the use of fiducial sites. Data from the first GPS experiment for the IERS and Geodynamics (GIG '91) have been analyzed with a no-fiducial strategy. A baseline length daily repeatability of 2 mm + 4 parts per billion was obtained for baselines in the Northern Hemisphere. Comparison of baseline lengths from GPS and the global VLBI solution GLB659 (Caprette et al. 1990) show rms agreement of 2.1 parts per billion. The geocentric radius mean daily repeatability for all sites was 15 cm. Comparison of geocentric radii from GPS and SV5 (Murray et al. 1990) show rms agreement of 3.8 cm. Given n globally distributed stations, the n(n - 1)/2 baseline lengths and n geocentric radii uniquely define a rigid closed polyhedron with a well-defined center of mass. Geodetic information can be obtained by examining the structure of the polyhedron and its change with time.

Resolving Size Distribution of Black Carbon Internally Mixed With Snow: Impact on Snow Optical Properties and Albedo

NASA Astrophysics Data System (ADS)

He, Cenlin; Liou, Kuo-Nan; Takano, Yoshi

2018-03-01

We develop a stochastic aerosol-snow albedo model that explicitly resolves size distribution of aerosols internally mixed with various snow grains. We use the model to quantify black carbon (BC) size effects on snow albedo and optical properties for BC-snow internal mixing. Results show that BC-induced snow single-scattering coalbedo enhancement and albedo reduction decrease by a factor of 2-3 with increasing BC effective radii from 0.05 to 0.25 μm, while polydisperse BC results in up to 40% smaller visible single-scattering coalbedo enhancement and albedo reduction compared to monodisperse BC with equivalent effective radii. We further develop parameterizations for BC size effects for application to climate models. Compared with a realistic polydisperse assumption and observed shifts to larger BC sizes in snow, respectively, assuming monodisperse BC and typical atmospheric BC effective radii could lead to overestimates of 24% and 40% in BC-snow albedo forcing averaged over different BC and snow conditions.

Radii and albedos of four Trojan asteroids and Jovian satellites 6 and 7

NASA Technical Reports Server (NTRS)

Cruikshank, D. P.

1977-01-01

Results are reported for radiometric measurements of broadband 20-micron fluxes from the Trojan asteroids 617 Patroclus, 624 Hektor (for which the broadband 10-micron flux was also measured), 1172 Aeneas, and 1173 Anchises as well as from the outer Jovian satellites Himalia (J6) and Elara (J7). Geometric albedos and radii for the six objects are derived from the corrected monochromatic fluxes and visual magnitudes. It is found that all the objects have exceedingly low geometric albedos, indicating that the Trojans and possibly the outer Jovian satellites constitute a distinct class of small solar-system bodies. The composition of the Trojan asteroids is considered on the basis of available sizes, albedos, and shapes. Revised tables of the albedos and radii of all the Jovian satellites are presented. It is concluded that the Trojans are not composed primarily of ice and that an asteroidal origin for the comets of the Jupiter group is unlikely.

STATIC QUARK ANTI-QUARK FREE AND INTERNAL ENERGY IN 2-FLAVOR QCD AND BOUND STATES IN THE QGP.

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

ZANTOW, F.; KACZMAREK, O.

2005-07-25

We present results on heavy quark free energies in 2-flavour QCD. The temperature dependence of the interaction between static quark anti-quark pairs will be analyzed in terms of temperature dependent screening radii, which give a first estimate on the medium modification of (heavy quark) bound states in the quark gluon plasma. Comparing those radii to the (zero temperature) mean squared charge radii of chasmonium states indicates that the J/{Psi} may survive the phase transition as a bound state, while {chi}{sub c} and {Psi}{prime} are expected to show significant thermal modifications at temperatures close to the transition. Furthermore we will analyzemore » the relation between heavy quark free energies, entropy contributions and internal energy and discuss their relation to potential models used to analyze the melting of heavy quark bound states above the deconfinement temperature. Results of different groups and various potential models for bound states in the deconfined phase of QCD are compared.« less

Parameters of oscillation generation regions in open star cluster models

NASA Astrophysics Data System (ADS)

Danilov, V. M.; Putkov, S. I.

2017-07-01

We determine the masses and radii of central regions of open star cluster (OCL) models with small or zero entropy production and estimate the masses of oscillation generation regions in clustermodels based on the data of the phase-space coordinates of stars. The radii of such regions are close to the core radii of the OCL models. We develop a new method for estimating the total OCL masses based on the cluster core mass, the cluster and cluster core radii, and radial distribution of stars. This method yields estimates of dynamical masses of Pleiades, Praesepe, and M67, which agree well with the estimates of the total masses of the corresponding clusters based on proper motions and spectroscopic data for cluster stars.We construct the spectra and dispersion curves of the oscillations of the field of azimuthal velocities v φ in OCL models. Weak, low-amplitude unstable oscillations of v φ develop in cluster models near the cluster core boundary, and weak damped oscillations of v φ often develop at frequencies close to the frequencies of more powerful oscillations, which may reduce the non-stationarity degree in OCL models. We determine the number and parameters of such oscillations near the cores boundaries of cluster models. Such oscillations points to the possible role that gradient instability near the core of cluster models plays in the decrease of the mass of the oscillation generation regions and production of entropy in the cores of OCL models with massive extended cores.

EQUATION OF STATE FOR NUCLEONIC AND HYPERONIC NEUTRON STARS WITH MASS AND RADIUS CONSTRAINTS

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

Tolos, Laura; Centelles, Mario; Ramos, Angels

We obtain a new equation of state for the nucleonic and hyperonic inner core of neutron stars that fulfils the 2 M {sub ⊙} observations as well as the recent determinations of stellar radii below 13 km. The nucleonic equation of state is obtained from a new parameterization of the FSU2 relativistic mean-field functional that satisfies these latest astrophysical constraints and, at the same time, reproduces the properties of nuclear matter and finite nuclei while fulfilling the restrictions on high-density matter deduced from heavy-ion collisions. On the one hand, the equation of state of neutron star matter is softened aroundmore » saturation density, which increases the compactness of canonical neutron stars leading to stellar radii below 13 km. On the other hand, the equation of state is stiff enough at higher densities to fulfil the 2 M {sub ⊙} limit. By a slight modification of the parameterization, we also find that the constraints of 2 M {sub ⊙} neutron stars with radii around 13 km are satisfied when hyperons are considered. The inclusion of the high magnetic fields present in magnetars further stiffens the equation of state. Hyperonic magnetars with magnetic fields in the surface of ∼10{sup 15} G and with values of ∼10{sup 18} G in the interior can reach maximum masses of 2 M {sub ⊙} with radii in the 12–13 km range.« less

Specific anion effects on copper surface through electrochemical treatment: Enhanced photoelectrochemical CO2 reduction activity of derived nanostructures induced by chaotropic anions

NASA Astrophysics Data System (ADS)

Navaee, Aso; Salimi, Abdollah

2018-05-01

Copper derivatives are the most prominent CO2 reduction electrocatalyst. Herein, the metallic copper has been electrochemically treated with some of common ionic salts such as N3bar, HPO2bar, S2bar, Fbar, Clbar, Brbar and Ibar based on the dissolution of a metallic working electrode in an aqueous solution to derive the surface roughness incorporated with nanostructures. Diverse surface morphology can be obtained when the ionic radii of anions are changed. Surface study reveals various roughness shapes based on the size and polarity of the anions, where the ions with higher ionic radii have higher impact on the Cu surface. In comparison, polyatomic oxyanion such as HPO2bar even with large ionic radii do not have enough strength to create the surface roughness than that of oxygen-free anions with large ionic radii. The photoelectrochemical behavior of the modified surfaces toward CO2 reduction is studied at a wide potential window in bicarbonate aqueous solution. Based on our investigations, treated surfaces by Ibar, Clbar and S2bargive a more surface roughness, while Ibar and N3bar offer higher catalytic activity toward CO2 reduction due to possible complexing ability of these anions with Cu cations, followed by formation of the co-catalyst semiconductor and facilitate electron transfer. This methodology can be applied to investigate the effect of ions on transition metals along with obtaining different surface morphologies tailored to different applications.

CHEOPS: a space telescope for ultra-high precision photometry of exoplanet transits

NASA Astrophysics Data System (ADS)

Cessa, V.; Beck, T.; Benz, W.; Broeg, C.; Ehrenreich, D.; Fortier, A.; Peter, G.; Magrin, D.; Pagano, I.; Plesseria, J.-Y.; Steller, M.; Szoke, J.; Thomas, N.; Ragazzoni, R.; Wildi, F.

2017-11-01

The CHaracterising ExOPlanet Satellite (CHEOPS) is a joint ESA-Switzerland space mission dedicated to search for exoplanet transits by means of ultra-high precision photometry whose launch readiness is expected end 2017. The CHEOPS instrument will be the first space telescope dedicated to search for transits on bright stars already known to host planets. By being able to point at nearly any location on the sky, it will provide the unique capability of determining accurate radii for a subset of those planets for which the mass has already been estimated from ground-based spectroscopic surveys. CHEOPS will also provide precision radii for new planets discovered by the next generation ground-based transits surveys (Neptune-size and smaller). The main science goals of the CHEOPS mission will be to study the structure of exoplanets with radii typically ranging from 1 to 6 Earth radii orbiting bright stars. With an accurate knowledge of masses and radii for an unprecedented sample of planets, CHEOPS will set new constraints on the structure and hence on the formation and evolution of planets in this mass range. To reach its goals CHEOPS will measure photometric signals with a precision of 20 ppm in 6 hours of integration time for a 9th magnitude star. This corresponds to a signal to noise of 5 for a transit of an Earth-sized planet orbiting a solar-sized star (0.9 solar radii). This precision will be achieved by using a single frame-transfer backside illuminated CCD detector cool down at 233K and stabilized within {10 mK . The CHEOPS optical design is based on a Ritchey-Chretien style telescope with 300 mm effective aperture diameter, which provides a defocussed image of the target star while minimizing straylight using a dedicated field stop and baffle system. As CHEOPS will be in a LEO orbit, straylight suppression is a key point to allow the observation of faint stars. The telescope will be the only payload on a spacecraft platform providing pointing stability of < 8 arcsec rms, power of 60W for instrument operations and downlink transmission of at least 1.2GBit/day. Both CHEOPS paylaod and platform will rely mainly on components with flight heritage. The baseline CHEOPS mission fits within the technical readiness requirements, short development time and the cost envelope defined by ESA in its first call for S-missions. It represents a breakthrough opportunity in furthering our understanding of the formation and evolution of planetary systems.

IMP 7 (Explorer 47) trajectory, September 26, 1972 to September 25, 1978

NASA Technical Reports Server (NTRS)

Milligan, Pamela A.; Lazarus, Alan J.

1988-01-01

The trajectory plots for IMP 7 (Explorer 47) are contained. For each orbit the trajectory is shown in five panels on two pages; each panel is a different representation or projection. The trajectory parameters were obtained from the multi-coordinate ephemeris (MCE) tapes supplied to IMP experimenters by the IMP project. The plots on the right hand pages use a geocentric, solar-ecliptic coordinate system. Distances are in units of earth radii. The plots on the left hand pages use geocentric, solar magnetospheric coordinates with distances in earth radii.

Geodesy and cartography of the Martian satellites

NASA Technical Reports Server (NTRS)

Batson, R. M.; Edwards, Kathleen; Duxbury, T. C.

1992-01-01

The difficulties connected with conventional maps of Phobos and Deimos are largely overcome by producing maps in digital forms, i.e., by projecting Viking Orbiter images onto a global topographic model made from collections of radii derived by photogrammetry. The resulting digital mosaics are then formatted as arrays of body-centered latitudes, longitudes, radii, and brightness values of Viking Orbiter images. The Phobos mapping described was done with Viking Orbiter data. Significant new coverage was obtained by the Soviet Phobos mission. The mapping of Deimos is in progress, using the techniques developed for Phobos.

Blast-wave model description of the Hanbury-Brown-Twiss radii in pp collisions at LHC energies

NASA Astrophysics Data System (ADS)

Bialas, Andrzej; Florkowski, Wojciech; Zalewski, Kacper

2015-04-01

The blast wave model is applied to the recent data on Hanbury-Brown-Twiss radii in pp collisions, measured by the ALICE Collaboration. A reasonable description of data is obtained for a rather low temperature of the kinetic freeze-out, T≃ 100 MeV, and the transverse profile corresponding to the emission from a shell of a fairly small width 2δ ˜ 1.5 fm. The size and the life-time of the produced system are determined for various multiplicities of the produced particles.

Nuclear states with anomalously large radius (size isomers)

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

Ogloblin, A. A.; Demyanova, A. S., E-mail: a.s.demyanova@bk.ru; Danilov, A. N.

2016-07-15

Methods of determination of the nuclear excited state radii are discussed together with the recently obtained data on the states of some light nuclei having abnormally large radii (size isomers). It is shown that such states include excited neutron-halo states in {sup 9}Be, {sup 11}Be, and {sup 13}C and some alpha-cluster states in {sup 12}C, {sup 11}B, and {sup 13}C. Among the latter ones, there is the well-known Hoyle state in {sup 12}C—the structure of this state exhibit rudimentary features of alpha-particle states.

Deflocculants for Tape Casting Barium Titanate Dielectrics.

DTIC Science & Technology

1988-02-01

was estimated for two spheres with radii of 0.5 microns using the a form of the Hamaker expression for spheres of equal radii: A#( 1 1 (x(x +-2)1VA...2+ 22n 2(9) 12t x(x + 2) + 1 2) (x + J J where a is the particle radius, H is the particle separation, x - H/2a, and A’ is the effective Hamaker ...Organic Chemistry, 3rd ed., Allyn and Bacon, Inc., Boston, 1973. 33. F. A. Cotton and G. Wilkinson, Advanced Inorganic Chemistry, 4th +ed., John

Nanoscopic dynamics in hybrid hydroxyapatite-CTAB composite

NASA Astrophysics Data System (ADS)

Dubey, P. S.; Sharma, V. K.; Mitra, S.; Verma, G.; Hassan, P. A.; Dutta, B.; Johnson, M.; Mukhopadhyay, R.

2017-06-01

Synthetic hydroxyapatite (HAp) is an important material in biomedical engineering due to its excellent biocompatibility and bioactivity. HAp nanoparticles were synthesized by the co-precipitation method using cetyltrimethylammonium bromide (CTAB) micelles as a template and are characterized using x-ray diffraction, electron microscopy, and thermal gravimetric measurements. Transmission electron microscope (TEM) demonstrates the formation of rod-shaped HAp. Dynamics of CTAB in HAp-CTAB composite as studied by using quasielastic neutron scattering (QENS) technique is reported here. HAp-CTAB composite provides an ideal system for studying the dynamics of CTAB micelles without any aqueous media. QENS data indicate that the observed dynamics are reminiscent of localized motions in ionic micellar systems, consisting of segmental and fast torsional motions. Segmental dynamics has been described with a model, in which hydrogen atoms in the alkyl chain undergoes localized translation diffusion and the CH3 unit associated with the head group undergo 3-fold jump rotation. Within this model, the hydrogen atoms in the alkyl chain undergo diffusion within spherical domains having different radii and diffusivities. A simple linear distribution of the radius and diffusivity has been assumed, in which the CH2 unit nearest to the head group has the least value and the ones furthest from the head group, that is, at the end of the alkyl chain has the largest value. The fast torsional motion is described by a 2-fold jump rotation model. Quantitative estimate of the different parameters characterizing various dynamical motions active within the time scale of the instrument is also presented. We have provided a detailed description of the observed dynamical features in hybrid HAp-CTAB composite, a potential candidate for biomedical applications.

Parameterization of backbone flexibility in a coarse-grained force field for proteins (COFFDROP) derived from all-atom explicit-solvent molecular dynamics simulations of all possible two-residue peptides

PubMed Central

Frembgen-Kesner, Tamara; Andrews, Casey T.; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A.; Jain, Aakash; Olayiwola, Oluwatoni; Weishaar, Mitch R.; Elcock, Adrian H.

2015-01-01

Recently, we reported the parameterization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs, and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downwards in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multi-domain proteins connected by flexible linkers. PMID:26574429

The switching mechanism of the mitochondrial ADP/ATP carrier explored by free-energy landscapes.

PubMed

Pietropaolo, Adriana; Pierri, Ciro Leonardo; Palmieri, Ferdinando; Klingenberg, Martin

2016-06-01

The ADP/ATP carrier (AAC) of mitochondria has been an early example for elucidating the transport mechanism alternating between the external (c-) and internal (m-) states (M. Klingenberg, Biochim. Biophys. Acta 1778 (2008) 1978-2021). An atomic resolution crystal structure of AAC is available only for the c-state featuring a three repeat transmembrane domain structure. Modeling of transport mechanism remained hypothetical for want of an atomic structure of the m-state. Previous molecular dynamics studies simulated the binding of ADP or ATP to the AAC remaining in the c-state. Here, a full description of the AAC switching from the c- to the m-state is reported using well-tempered metadynamics simulations. Free-energy landscapes of the entire translocation from the c- to the m-state, based on the gyration radii of the c- and m-gates and of the center of mass, were generated. The simulations revealed three free-energy basins attributed to the c-, intermediate- and m-states separated by activation barriers. These simulations were performed with the empty and with the ADP- and ATP-loaded AAC as well as with the poorly transported AMP and guanine nucleotides, showing in the free energy landscapes that ADP and ATP lowered the activation free-energy barriers more than the other substrates. Upon binding AMP and guanine nucleotides a deeper free-energy level stabilized the intermediate-state of the AAC2 hampering the transition to the m-state. The structures of the substrate binding sites in the different states are described producing a full picture of the translocation events in the AAC. Copyright © 2016 Elsevier B.V. All rights reserved.

The anomalous halogen bonding interactions between chlorine and bromine with water in clathrate hydrates.

PubMed

Dureckova, Hana; Woo, Tom K; Udachin, Konstantin A; Ripmeester, John A; Alavi, Saman

2017-10-13

Clathrate hydrate phases of Cl 2 and Br 2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these structures, the water oxygen-halogen atom distances are determined to be shorter than the sum of the van der Waals radii, which indicates the action of some type of non-covalent interaction between the dihalogens and water molecules. Given that in the hydrate phases both lone pairs of each water oxygen atom are engaged in hydrogen bonding with other water molecules of the lattice, the nature of the oxygen-halogen interactions may not be the standard halogen bonds characterized recently in the solid state materials and enzyme-substrate compounds. The nature of the halogen-water interactions for the Cl 2 and Br 2 molecules in two isolated clathrate hydrate cages has recently been studied with ab initio calculations and Natural Bond Order analysis (Ochoa-Resendiz et al. J. Chem. Phys. 2016, 145, 161104). Here we present the results of ab initio calculations and natural localized molecular orbital analysis for Cl 2 and Br 2 guests in all cage types observed in the cubic structure I and tetragonal structure I clathrate hydrates to characterize the orbital interactions between the dihalogen guests and water. Calculations with isolated cages and cages with one shell of coordinating molecules are considered. The computational analysis is used to understand the nature of the halogen bonding in these materials and to interpret the guest positions in the hydrate cages obtained from the X-ray crystal structures.

Isomorphous Substitution of Rare-Earth Elements in Lacunary Apatite Pb8Na2(PO4)6.

PubMed

Get'man, Evgeni I; Loboda, Stanislav N; Ignatov, Alexey V; Prisedsky, Vadim V; Abdul Jabar, Mohammed A B; Ardanova, Lyudmyla I

2016-03-07

The substitution of rare-earth elements (REEs) for Pb in the lacunary apatite Pb8Na2(PO4)6 with void structural channels was studied by means of powder X-ray diffraction (including the Rietveld refinement), scanning electron microscopy, energy-dispersive X-ray microanalysis, and IR spectroscopy and also measurements of the electrical conductivity. The substitution limits (xmax in Pb8-xLnxNa2(PO4)6Ox/2) at 800 °C were found to decrease with the atomic number of the REE from 1.40 for La to 0.12 for Yb with a rapid drop from light to heavy lanthanides (between Gd and Tb). The REE atoms substitute for Pb predominantly at Pb2 sites of the apatite structure according to the scheme 2Pb(2+) + □ → 2Ln(3+) + O(2-), where □ is a vacancy in the structural channel. The substitution in lacunary apatite produces quite different changes in the structural parameters compared with broadly studied alkaline-earth hydroxyapatites. In spite of the much lower ionic radii of REE than that of Pb(2+), the mean distances ⟨Pb1-O⟩ somewhat increase, whereas the distances ⟨Pb2-Pb2⟩ and ⟨Pb2-O4⟩ do not change considerably with the degree of substitution. This implies control of the substitution by not only spatial and charge accommodation of REE ions but also the availability of a stereochemically active 6s(2) electron pair on Pb(2+). The high-temperature electrical conductivity shows dependence on the degree of substitution with a minimum at x = 0.2 indicative of a possible change of the type of conductivity.

Multi-walled carbon nanotube structural instability with/without metal nanoparticles under electron beam irradiation

NASA Astrophysics Data System (ADS)

Khan, Imran; Huang, Shengli; Wu, Chenxu

2017-12-01

The structural transformation of multi-walled carbon nanotubes (MWCNT) under electron beam (e-beam) irradiation at room temperature is studied, with respect to a novel passivation effect due to gold nanoparticles (Au NPs). MWCNT structural evolution induced by energetic e-beam irradiation leads to faster shrinkage, as revealed via in situ transmission electron microscopy, while MWCNT surface modification with Au NPs (Au-MWCNT) slows down the shrinkage by impeding the structural evolution process for a prolonged time under the same irradiation conditions. The new relationship between MWCNT and Au-MWCNT shrinking radii and irradiation time illustrates that the MWCNT shrinkage rate is faster than either theoretical predictions or the same process in Au-MWCNTs. As compared with the outer surface energy (positive curvature), the inner surface energy (negative curvature) of the MWCNT contributes more to the athermal evaporation of tube wall atoms, leading to structural instability and shrinkage under e-beam irradiation. Conversely, Au NPs possess only outer surface energy (positive curvature) compared with the MWCNT. Their presence on MWCNT surfaces retards the dynamics of MWCNT structural evolution by slowing down the evaporation process of carbon atoms, thus restricting Au-MWCNT shrinkage. Au NP interaction and growth evolves athermally on MWCNT surfaces, exhibits increase in their size, and indicates the association of this mechanism with the coalescence induced by e-beam activated electronic excitations. Despite their growth, Au NPs show extreme structural stability, and remain crystalline under prolonged irradiation. It is proposed that the surface energy of MWCNTs and Au NPs, together with e-beam activated soft modes or lattice instability effects, predominantly govern all the above varieties of structural evolution.

Diversity of Chemical Bonding and Oxidation States in MS4 Molecules of Group 8 Elements.

PubMed

Huang, Wei; Jiang, Ning; Schwarz, W H Eugen; Yang, Ping; Li, Jun

2017-08-04

The geometric and electronic ground-state structures of 30 isomers of six MS 4 molecules (M=Group 8 metals Fe, Ru, Os, Hs, Sm, and Pu) have been studied by using quantum-chemical density functional theory and correlated wavefunction approaches. The MS 4 species were compared to analogous MO 4 species recently investigated (W. Huang, W.-H. Xu, W. H. E. Schwarz, J. Li, Inorg. Chem. 2016, 55, 4616). A metal oxidation state (MOS) with a high value of eight appeared in the low-spin singlet T d geometric species (Os,Hs)S 4 and (Ru,Os,Hs)O 4 , whereas a low MOS of two appeared in the high-spin septet D 2d species Fe(S 2 ) 2 and (slightly excited) metastable Fe(O 2 ) 2 . The ground states of all other molecules had intermediate MOS values, with S 2- , S 2 2- , S 2 1- (and O 2- , O 1- , O 2 2- , O 2 1- ) ligands bonded by ionic, covalent, and correlative contributions. The known tendencies toward lower MOS on going from oxides to sulfides, from Hs to Os to Ru, and from Pu to Sm, and the specific behavior of Fe, were found to arise from the different atomic orbital energies and radii of the (n-1)p core and (n-1)d and (n-2)f valence shells of the metal atoms in row n of the periodic table. The comparative results of the electronic and geometric structures of the MO 4 and MS 4 species provides insight into the periodicity of oxidation states and bonding. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Big Picture: Imaging of the Global Geospace Environment by the TWINS Mission

NASA Astrophysics Data System (ADS)

Goldstein, J.; McComas, D. J.

2018-03-01

Encircling our planet at distances of 2.5 to 8 Earth radii is a dynamic plasma population known as the ring current (RC). During geomagnetic storms, the solar wind's interaction with Earth's magnetic field pumps petaJoules of energy into the RC, energizing and transporting particles. To measure the global geospace response, RC imaging is performed by capturing energetic neutral atoms (ENAs) created by charge exchange between geospace ions and the neutral exosphere. The H exosphere is itself imaged via its geocoronal Lyman-α glow. Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) is a stereoscopic ENA and Lyman-α imaging mission that has recorded the deep minimum of solar cycle (SC) 23 and the moderate maximum of SC 24, observing geospace conditions ranging from utterly quiet to major storms. This review covers TWINS studies of the geospace response published during 2013 to 2017. Stereo ENA imaging has revealed new dimensionality and structure of RC ions. Continuous coverage by two imagers has allowed monitoring storms from start to finish. Deconvolution of the low-altitude signal has extended ENA analysis and revealed causal connections between the trapped and precipitating ion populations. ENA-based temperature and composition analyses have been refined, validated, and applied to an unprecedented sequence of solar activity changes in SC 23 and SC 24. Geocoronal imaging has revealed a surprising amount of time variability and structure in the neutral H exosphere, driven by both Sun and solar wind. Global models have been measurably improved. Routine availability of simultaneous in situ measurements has fostered huge leaps forward in the areas of ENA validation and cross-scale studies.

Association of Body Length with Ocular Parameters in Mice

PubMed Central

Chakraborty, Ranjay; Park, Han na; Tan, Christopher C.; Weiss, Paul; Prunt, Megan C.; Pardue, Machelle T.

2017-01-01

Purpose To determine the association between changes in body length with ocular refraction, corneal radii, axial length, and lens thickness in two different mouse strains. Methods Body length, ocular refraction, corneal radii, axial length, and lens thickness were measured for two inbred mouse strains: 129S1/SvJ (n=7) and C57BL/6J (n=10) from 4 to 12 weeks of age. Body length, from tip of nose to base of tail was obtained using a digital camera. Biometric parameters, corneal radii and refractions were measured using spectral-domain optical coherence tomography, automated keratometry and infrared photorefraction, respectively. A mixed model ANOVA was performed to examine the changes in ocular parameters as a function of body length and strain in mice controlling for age, gender and weight over time. Results C57BL/6J mice had significantly longer body length (average body length at 10 weeks, 8.60 ± 0.06 cm) compared 129S1/SvJ mice (8.31 ± 0.05 cm) during development (p<0.001). C57BL/6J mice had significantly hyperopic refractions compared to 129S1/SvJ mice across age (mean refraction at 10 weeks, 129S1/SvJ: +0.99 ± 0.44 D versus C57BL/6J: +6.24 ± 0.38 D, p<0.001). Corneal radius of curvature, axial length and lens thickness (except 10 weeks lens thickness) were similar between the two strains throughout the measurement. In the mixed model ANOVA, changes in body length showed an independent and significant association with the changes in refraction (p=0.002) and corneal radii (p=0.016) for each mouse strain. No significant association was found between the changes in axial length (p=0.925) or lens thickness (p=0.973) as a function of body length and strain. Conclusions Changes in body length are significantly associated with the changes in ocular refraction and corneal radii in different mouse strains. Future studies are needed to determine if the association between body length and ocular refraction are related to changes in corneal curvature in mice. PMID:28005683

Spatiotemporal temperature and density characterization of high-power atmospheric flashover discharges over inert poly(methyl methacrylate) and energetic pentaerythritol tetranitrate dielectric surfaces

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

Tang, V.; Grant, C. D.; McCarrick, J. F.

2012-03-01

A flashover arc source that delivered up to 200 mJ on the 100s-of-ns time-scale to the arc and a user-selected dielectric surface was characterized for studying high-explosive kinetics under plasma conditions. The flashover was driven over thin pentaerythritol tetranitrate (PETN) and poly(methyl methacrylate) (PMMA) dielectric films and the resultant plasma was characterized in detail. Time- and space-resolved temperatures and electron densities of the plasma were obtained using atomic emission spectroscopy. The hydrodynamics of the plasma was captured through fast, visible imaging. Fourier transform infrared spectroscopy (FTIR) was used to characterize the films pre- and post-shot for any chemical alterations. Time-resolvedmore » infrared spectroscopy (TRIR) provided PETN depletion data during the plasma discharge. For both types of films, temperatures of 1.6-1.7 eV and electron densities of {approx}7-8 x 10{sup 17}/cm{sup 3}{approx}570 ns after the start of the discharge were observed with temperatures of 0.6-0.7 eV persisting out to 15 {mu}s. At 1.2 {mu}s, spatial characterization showed flat temperature and density profiles of 1.1-1.3 eV and 2-2.8 x 10{sup 17}/cm{sup 3} for PETN and PMMA films, respectively. Images of the plasma showed an expanding hot kernel starting from radii of {approx}0.2 mm at {approx}50 ns and reaching {approx}1.1 mm at {approx}600 ns. The thin films ablated or reacted several hundred nm of material in response to the discharge. First TRIR data showing the in situ reaction or depletion of PETN in response to the flashover arc were successfully obtained, and a 2-{mu}s, 1/e decay constant was measured. Preliminary 1 D simulations compared reasonably well with the experimentally determined plasma radii and temperatures. These results complete the first steps to resolving arc-driven PETN reaction pathways and their associated kinetic rates using in situ spectroscopy techniques.« less

Stereospecific olefin polymerization catalysts

DOEpatents

Bercaw, John E.; Herzog, Timothy A.

1998-01-01

A metallocene catalyst system for the polymerization of .alpha.-olefins to yield stereospecific polymers including syndiotactic, and isotactic polymers. The catalyst system includes a metal and a ligand of the formula ##STR1## wherein: R.sup.1, R.sup.2, and R.sup.3 are independently selected from the group consisting of hydrogen, C.sub.1 to C.sub.10 alkyl, 5 to 7 membered cycloalkyl, which in turn may have from 1 to 3 C.sub.1 to C.sub.10 alkyls as a substituent, C.sub.6 to C.sub.15 aryl or arylalkyl in which two adjacent radicals may together stand for cyclic groups having 4 to 15 carbon atoms which in turn may be substituted, or Si(R.sup.8).sub.3 where R.sup.8 is selected from the group consisting of C.sub.1 to C.sub.10 alkyl, C.sub.6 to C.sub.15 aryl or C.sub.3 to C.sub.10 cycloalkyl; R.sup.4 and R.sup.6 are substituents both having van der Waals radii larger than the van der Waals radii of groups R.sup.1 and R.sup.3 ; R.sup.5 is a substituent having a van der Waals radius less than about the van der Waals radius of a methyl group; E.sup.1, E.sup.2 are independently selected from the group consisting of Si(R.sup.9).sub.2, Si(R.sup.9).sub.2 --Si(R.sup.9).sub.2, Ge(R.sup.9).sub.2, Sn(R.sup.9).sub.2, C(R.sup.9).sub.2, C(R.sup.9).sub.2 --C(R.sup.9).sub.2, where R.sup.9 is C.sub.1 to C.sub.10 alkyl, C.sub.6 to C.sub.15 aryl or C.sub.3 to C.sub.10 cycloalkyl; and the ligand may have C.sub.S or C.sub.1 -symmetry. Preferred metals are selected from the group consisting of group III, group IV, group V or lanthanide group elements. The catalysts are used to prepare stereoregular polymers including polypropylene from .alpha.-olefin monomers.

Stereospecific olefin polymerization catalysts

DOEpatents

Bercaw, J.E.; Herzog, T.A.

1998-01-13

A metallocene catalyst system is described for the polymerization of {alpha}-olefins to yield stereospecific polymers including syndiotactic, and isotactic polymers. The catalyst system includes a metal and a ligand of the formula shown wherein: R{sup 1}, R{sup 2}, and R{sup 3} are independently selected from the group consisting of hydrogen, C{sub 1} to C{sub 10} alkyl, 5 to 7 membered cycloalkyl, which in turn may have from 1 to 3 C{sub 1} to C{sub 10} alkyls as a substituent, C{sub 6} to C{sub 15} aryl or arylalkyl in which two adjacent radicals may together stand for cyclic groups having 4 to 15 carbon atoms which in turn may be substituted, or Si(R{sup 8}){sub 3} where R{sup 8} is selected from the group consisting of C{sub 1} to C{sub 10} alkyl, C{sub 6} to C{sub 15} aryl or C{sub 3} to C{sub 10} cycloalkyl; R{sup 4} and R{sup 6} are substituents both having van der Waals radii larger than the van der Waals radii of groups R{sup 1} and R{sup 3}; R{sup 5} is a substituent having a van der Waals radius less than about the van der Waals radius of a methyl group; E{sup 1}, E{sup 2} are independently selected from the group consisting of Si(R{sup 9}){sub 2}, Si(R{sup 9}){sub 2}--Si(R{sup 9}){sub 2}, Ge(R{sup 9}){sub 2}, Sn(R{sup 9}){sub 2}, C(R{sup 9}){sub 2}, C(R{sup 9}){sub 2}--C(R{sup 9}){sub 2}, where R{sup 9} is C{sub 1} to C{sub 10} alkyl, C{sub 6} to C{sub 15} aryl or C{sub 3} to C{sub 10} cycloalkyl; and the ligand may have C{sub S} or C{sub 1}-symmetry. Preferred metals are selected from the group consisting of group III, group IV, group V or lanthanide group elements. The catalysts are used to prepare stereoregular polymers including polypropylene from {alpha}-olefin monomers.

Exploring Properties of HI Clouds in Dwarf Irregular Galaxies

NASA Astrophysics Data System (ADS)

Berger, Clara; Hunter, Deidre Ann

2018-01-01

Dwarf Irregular galaxies form stars and maintain exponential stellar disks at extremely low gas densities. One proposed method of maintaining such regular outer disks is scattering stars off of HI clouds. In order to understand the processes present in dwarf irregular stellar disks, we present a survey of atomic hydrogen clouds in and around a subset of representative galaxies from the LITTLE THINGS survey. We apply a cloud identification program to the 21 cm HI line emission cubes and extract masses, radii, surface densities, and distances from the center of the galaxy in the plane of the galaxy of each cloud. Our data show a wide range of clouds characterized by low surface densities but varied in mass and size. The number of clouds found and the mass of the most massive cloud show no correlation to integrated star forming rates or luminosity in these galaxies. However, they will be used as input for models of stars scattering off of HI clouds to better understand the regular stellar disks in dwarf Irregular galaxies.We acknowledge support from the National Science Foundation grant AST-1461200 to Northern Arizona University for Research Experiences for Undergraduates summer internships.

Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS2 and MoS2 to 65 Tesla

PubMed Central

Stier, Andreas V.; McCreary, Kathleen M.; Jonker, Berend T.; Kono, Junichiro; Crooker, Scott A.

2016-01-01

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS2 and MoS2 in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately −230 μeV T−1 (g-factor ≃−4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS2, from which radii of ∼1.53 and ∼1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). These results highlight the utility of high magnetic fields for understanding new two-dimensional materials. PMID:26856412

Interaction between Air Bubbles and Superhydrophobic Surfaces in Aqueous Solutions.

PubMed

Shi, Chen; Cui, Xin; Zhang, Xurui; Tchoukov, Plamen; Liu, Qingxia; Encinas, Noemi; Paven, Maxime; Geyer, Florian; Vollmer, Doris; Xu, Zhenghe; Butt, Hans-Jürgen; Zeng, Hongbo

2015-07-07

Superhydrophobic surfaces are usually characterized by a high apparent contact angle of water drops in air. Here we analyze the inverse situation: Rather than focusing on water repellency in air, we measure the attractive interaction of air bubbles and superhydrophobic surfaces in water. Forces were measured between microbubbles with radii R of 40-90 μm attached to an atomic force microscope cantilever and submerged superhydrophobic surfaces. In addition, forces between macroscopic bubbles (R = 1.2 mm) at the end of capillaries and superhydrophobic surfaces were measured. As superhydrophobic surfaces we applied soot-templated surfaces, nanofilament surfaces, micropillar arrays with flat top faces, and decorated micropillars. Depending on the specific structure of the superhydrophobic surfaces and the presence and amount of entrapped air, different interactions were observed. Soot-templated surfaces in the Cassie state showed superaerophilic behavior: Once the electrostatic double-layer force and a hydrodynamic repulsion were overcome, bubbles jumped onto the surface and fully merged with the entrapped air. On nanofilaments and micropillar arrays we observed in addition the formation of sessile bubbles with finite contact angles below 90° or the attachment of bubbles, which retained their spherical shape.

Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS 2 and MoS 2 to 65 Tesla

DOE PAGES

Stier, Andreas V.; McCreary, Kathleen M.; Jonker, Berend T.; ...

2016-02-09

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS 2 and MoS 2 in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately –230 μeV T–1 (g-factor ≃–4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS 2,more » from which radii of ~1.53 and ~1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). Lastly, these results highlight the utility of high magnetic fields for understanding new two-dimensional materials.« less

Improving the treatment of coarse-grain electrostatics: CVCEL.

PubMed

Ceres, N; Lavery, R

2015-12-28

We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

Effects of Solute Concentrations on Kinetic Pathways in Ni-Al-Cr Alloys

NASA Technical Reports Server (NTRS)

Booth-Morrison, Christopher; Weninger, Jessica; Sudbrack, Chantal K.; Mao, Zugang; Seidman, David N.; Noebe, Ronald D.

2008-01-01

The kinetic pathways resulting from the formation of coherent gamma'-precipitates from the gamma-matrix are studied for two Ni-Al-Cr alloys with similar gamma'-precipitate volume fractions at 873 K. The details of the phase decompositions of Ni-7.5Al-8.5Cr at.% and Ni-5.2Al-14.2Cr at.% for aging times from 1/6 to 1024 h are investigated by atom-probe tomography, and are found to differ significantly from a mean-field description of coarsening. The morphologies of the gamma'-precipitates of the alloys are similar, though the degrees of gamma'-precipitate coagulation and coalescence differ. Quantification within the framework of classical nucleation theory reveals that differences in the chemical driving forces for phase decomposition result in differences in the nucleation behavior of the two alloys. The temporal evolution of the gamma'-precipitate average radii and the gamma-matrix supersaturations follow the predictions of classical coarsening models. The compositional trajectories of the gamma-matrix phases of the alloys are found to follow approximately the equilibrium tie-lines, while the trajectories of the gamma'-precipitates do not, resulting in significant differences in the partitioning ratios of the solute elements.

Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS2 and MoS2 to 65 Tesla.

PubMed

Stier, Andreas V; McCreary, Kathleen M; Jonker, Berend T; Kono, Junichiro; Crooker, Scott A

2016-02-09

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS2 and MoS2 in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately -230 μeV T(-1) (g-factor ≃-4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS2, from which radii of ∼1.53 and ∼1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). These results highlight the utility of high magnetic fields for understanding new two-dimensional materials.

Wiggler magnetic field assisted third harmonic generation in expanding clusters

NASA Astrophysics Data System (ADS)

Vij, Shivani

2018-04-01

A simple theoretical model is constructed to study the wiggler magnetic field assisted third harmonic generation of intense short pulse laser in a cluster in its expanding phase. The ponderomotive force of laser causes density perturbations in cluster electron density which couples with wiggler magnetic field to produce a nonlinear current that generates transverse third harmonic. An intense short pulse laser propagating through a gas embedded with atomic clusters, converts it into hot plasma balls via tunnel ionization. Initially, the electron plasma frequency inside the clusters ω pe > \\sqrt{3}{ω }1 (with ω 1 being the frequency of the laser). As the cluster expands under Coulomb force and hydrodynamic pressure, ω pe decreases to \\sqrt{3}{ω }1. At this time, there is resonant enhancement in the efficiency of the third harmonic generation. The efficiency of third harmonic generation is enhanced due to cluster plasmon resonance and by phase matching due to wiggler magnetic field. The effect of cluster size on the expansion rate is studied to observe that the clusters of different radii would expand differently. The impact of laser intensity and wiggler magnetic field on the efficiency of third harmonic generation is also explored.

Thermo-electronic solar power conversion with a parabolic concentrator

NASA Astrophysics Data System (ADS)

Olukunle, Olawole C.; De, Dilip K.

2016-02-01

We consider the energy dynamics of the power generation from the sun when the solar energy is concentrated on to the emitter of a thermo-electronic converter with the help of a parabolic mirror. We use the modified Richardson-Dushman equation. The emitter cross section is assumed to be exactly equal to the focused area at a height h from the base of the mirror to prevent loss of efficiency. We report the variation of output power with solar insolation, height h, reflectivity of the mirror, and anode temperature, initially assuming that there is no space charge effect. Our methodology allows us to predict the temperature at which the anode must be cooled in order to prevent loss of efficiency of power conversion. Novel ways of tackling the space charge problem have been discussed. The space charge effect is modeled through the introduction of a parameter f (0 < f < 1) in the thermos-electron emission equation. We find that the efficiency of the power conversion depends on solar insolation, height h, apart from radii R of the concentrator aperture and emitter, and the collector material properties. We have also considered solar thermos electronic power conversion by using single atom-layer graphene as an emitter.

Surface tension estimation of high temperature melts of the binary alloys Ag-Au

NASA Astrophysics Data System (ADS)

Dogan, Ali; Arslan, Hüseyin

2017-11-01

Surface tension calculation of the binary alloys Ag-Au at the temperature of 1381 K, where Ag and Au have similar electronic structures and their atomic radii are comparable, are carried out in this study using several equations over entire composition range of Au. Apparently, the deviations from ideality of the bulk solutions, such as activities of Ag and Au are small and the maximum excess Gibbs free energy of mixing of the liquid phase is for instance -4500 J/mol at XAu = 0.5. Besides, the results obtained in Ag-Au alloys that at a constant temperature the surface tension increases with increasing composition while the surface tension decreases as the temperature increases for entire composition range of Au. Although data about surface tension of the Ag-Au alloy are limited, it was possible to make a comparison for the calculated results for the surface tension in this study with the available experimental data. Taken together, the average standard error analysis that especially the improved Guggenheim model in the other models gives the best agreement along with the experimental results at temperature 1383 K although almost all models are mutually in agreement with the other one.

Probing softness of the parietal pleural surface at the micron scale

PubMed Central

Kim, Jae Hun; Butler, James P.; Loring, Stephen H.

2011-01-01

The pleural surfaces of the chest wall and lung slide against each other, lubricated by pleural fluid. During sliding motion of soft tissues, shear induced hydrodynamic pressure deforms the surfaces, promoting uniformity of the fluid layer thickness, thereby reducing friction. To assess pleural deformability at length scales comparable to pleural fluid thickness, we measured the modulus of the parietal pleura of rat chest wall using atomic force microscopy (AFM) to indent the pleural surface with spheres (radius 2.5 µm and 5 µm). The pleura exhibited two distinct indentation responses depending on location, reflecting either homogeneous or significantly heterogeneous tissue properties. We found an elastic modulus of 0.38–0.95 kPa, lower than the values measured using flat-ended cylinders > 100 µm radii (Gouldstone et al., 2003, Journal of Applied Physiology 95, 2345–2349). Interestingly, the pleura exhibited a three-fold higher modulus when probed using 2.5 µm vs. 5 µm spherical tips at the same normalized depth, confirming depth dependent inhomogeneous elastic properties. The observed softness of the pleura supports the hypothesis that unevenness of the pleural surface on this scale is smoothed by local hydrodynamic pressure. PMID:21820660

X-ray characterization of indium during melting

NASA Astrophysics Data System (ADS)

Gondi, P.; Montanari, R.; Costanza, G.

During melting of Indium the structure of solid and liquid phases have been investigated by X-ray diffractometry (XRD) in 1-g conditions. At the melting point T M a re-orientation of crystalline grains occurs in the solid phase. The texture change, unusually rapid for a thermally activated process, is attributed to an abnormal increase of vacancy concentration. This explanation is in agreement with the observed shifts of XRD peaks towards lower angles. As a consequence of the texture change, the lattice planes facing the first formed liquid are (002) and (101) planes, i.e. those planes allocating 1st and 2nd neighbours around a given atom with shell radii very close to the mean distance of nearest neighbours in liquid as obtained from the radial distribution function (RDF). Convective motions in the liquid can be eliminated by repeating the same XRD measurements in μ-g. To get the best experimental conditions it is discussed the possibility to use thin oxide films grown on the external surface of samples as containers during melting. This technique was already successfully tested by present investigators in the experiment ES 311 A-B carried out during the mission SPACELAB-1.

Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.

PubMed

Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J; Gilroy, Joe B

2016-02-21

The synthesis and characterization of a series of Group 6 metal pentacarbonyl complexes of air stable primary, secondary, and tertiary phosphines containing ferrocenylethyl substituents are reported [M(CO)5L: M = Cr, Mo, W; L = PH2(CH2CH2Fc), PH(CH2CH2Fc)2, P(CH2CH2Fc)3]. The structure and composition of the complexes were confirmed by multinuclear NMR spectroscopy, IR and UV-Vis absorption spectroscopy, mass spectrometry, X-ray crystallography, and elemental analysis. The solid-state structural data reported revealed trends in M-C and M-P bond lengths that mirrored those of the atomic radii of the Group 6 metals involved. UV-Vis absorption spectroscopy and cyclic voltammetry highlighted characteristics consistent with electronically isolated ferrocene units including wavelengths of maximum absorption between 435 and 441 nm and reversible one-electron (per ferrocene unit) oxidation waves between 10 and -5 mV relative to the ferrocene/ferrocenium redox couple. IR spectroscopy confirmed that the σ donating ability of the phosphines increased as ferrocenylethyl substituents were introduced and that the tertiary phosphine ligand described is a stronger σ donor than PPh3 and a weaker σ donor than PEt3, respectively.

Facile synthesis and structure characterization of hexagonal tungsten bronzes crystals

NASA Astrophysics Data System (ADS)

Lee, Jiann-Shing; Liu, Hao-Chuan; Peng, Gao-De; Tseng, Yawteng

2017-05-01

A facile molten-salt route was used to synthesize hexagonal Cs0.33WO3, Rb0.33WO3 and K0.30WO3 crystals. The three isostructural compounds were successfully prepared from the reaction of MxWO3 powders (M = Cs, Rb, K) in the CsCl/NaCl, RbCl/NaCl and KCl/NaCl fluxes, respectively. The structure determination and refinement, based on single-crystal X-ray diffraction data, are in agreement with previous works, possessing space group P63/mcm. The a and c parameters vary non-linearly with increasing radii of the M+ cations (rM) that is coordinated to twelve oxygen atoms. Both the volumes of unit-cell and WO6 octahedra vary linearly with rM, which become smaller from Cs0.33WO3 to K0.30WO3. The distortion of WO6 octahedra as well as isotropic displacement parameters increases from Cs0.33WO3 to K0.30WO3. The geometry of the WO6 octahedron becomes more regular with increasing rM. These structural trends arise from the effective size of the M+ cation.

Numerical modeling of the solar wind flow with observational boundary conditions

DOE PAGES

Pogorelov, N. V.; Borovikov, S. N.; Burlaga, L. F.; ...

2012-11-20

In this paper we describe our group efforts to develop a self-consistent, data-driven model of the solar wind (SW) interaction with the local interstellar medium. The motion of plasma in this model is described with the MHD approach, while the transport of neutral atoms is addressed by either kinetic or multi-fluid equations. The model and its implementation in the Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) are continuously tested and validated by comparing our results with other models and spacecraft measurements. In particular, it was successfully applied to explain an unusual SW behavior discovered by the Voyager 1 spacecraft, i.e., the developmentmore » of a substantial negative radial velocity component, flow turning in the transverse direction, while the latitudinal velocity component goes to very small values. We explain recent SW velocity measurements at Voyager 1 in the context of our 3-D, MHD modeling. We also present a comparison of different turbulence models in their ability to reproduce the SW temperature profile from Voyager 2 measurements. Lastly, the boundary conditions obtained at 50 solar radii from data-driven numerical simulations are used to model a CME event throughout the heliosphere.« less

Euler solutions to nonlinear acoustics of non-lifting rotor blades

NASA Technical Reports Server (NTRS)

Baeder, J. D.

1991-01-01

For the first time a computational fluid dynamics (CFD) method is used to calculate directly the high-speed impulsive (HSI) noise of a non-lifting hovering rotor blade out to a distance of over three rotor radii. In order to accurately propagate the acoustic wave in a stable and efficient manner, an implicit upwind-biased Euler method is solved on a grid with points clustered along the line of propagation. A detailed validation of the code is performed for a rectangular rotor blade at tip Mach numbers ranging from 0.88 to 0.92. The agreement with experiment is excellent at both the sonic cylinder and at 2.18 rotor radii. The agreement at 3.09 rotor radii is still very good, showing improvements over the results from the best previous method. Grid sensitivity studies indicate that with special attention to the location of the boundaries a grid with approximately 60,000 points is adequate. This results in a computational time of approximately 40 minutes on a Cray-XMP. The practicality of the method to calculate HSI noise is demonstrated by expanding the scope of the investigation to examine the rectangular blade as well as a highly swept and tapered blade over a tip Mach number range of 0.80 to 0.95. Comparisons with experimental data are excellent and the advantages of planform modifications are clearly evident. New insight is gained into the mechanisms of nonlinear propagation and the minimum distance at which a valid comparison of different rotors can be made: approximately two rotor radii from the center of rotation.

Euler solutions to nonlinear acoustics of non-lifting hovering rotor blades

NASA Technical Reports Server (NTRS)

Baeder, J. D.

1991-01-01

For the first time a computational fluid dynamics (CFD) method is used to calculate directly the high-speed impulsive (HSI) noise of a non-lifting hovering rotor blade out to a distance of over three rotor radii. In order to accurately propagate the acoustic wave in a stable and efficient manner, an implicit upwind-biased Euler method is solved on a grid with points clustered along the line of propagation. A detailed validation of the code is performed for a rectangular rotor blade at tip Mach numbers ranging from 0.88 to 0.92. The agreement with experiment is excellent at both the sonic cylinder and at 2.18 rotor radii. The agreement at 3.09 rotor radii is still very good, showing improvements over the results from the best previous method. Grid sensitivity studies indicate that with special attention to the location of the boundaries a grid with approximately 60,000 points is adequate. This results in a computational time of approximately 40 minutes on a Cray-XMP. The practicality of the method to calculate HSI noise is demonstrated by expanding the scope of the investigation to examine the rectangular blade as well as a highly swept and tapered blade over a tip Mach number range of 0.80 to 0.95. Comparisons with experimental data are excellent and the advantages of planform modifications are clearly evident. New insight is gained into the mechanisms of nonlinear propagation and the minimum distance at which a valid comparison of different rotors can be made: approximately two rotor radii from the center of rotation.

Tropical Cyclone Diurnal Cycle as Observed by TRMM

PubMed Central

Leppert, Kenneth D.; Cecil, Daniel J.

2018-01-01

Previous work has indicated a clear, consistent diurnal cycle in rainfall and cold cloudiness coverage around tropical cyclones. This cycle may have important implications for structure and intensity changes of these storms and the forecasting of such changes. The goal of this paper is to use passive and active microwave measurements from the Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI) and Precipitation Radar (PR), respectively, to better understand the tropical cyclone diurnal cycle throughout a deep layer of a tropical cyclone’s clouds. The composite coverage by PR reflectivity ≥20 dBZ at various heights as a function of local standard time (LST) and radius suggests the presence of a diurnal signal for radii <500 km through a deep layer (2–10 km height) of the troposphere using 1998–2011 Atlantic tropical cyclones of at least tropical storm strength. The area covered by reflectivity ≥20 dBZ at radii 100–500 km peaks in the morning (0130–1030 LST) and reaches a minimum 1030–1930 LST. Radii between 300–500 km tend to reach a minimum in coverage closer to 1200 LST before reaching another peak at 2100 LST. The inner core (0–100 km) appears to be associated with a single-peaked diurnal cycle only at upper levels (8–10 km) with a maximum at 2230−0430 LST. The TMI rainfall composites suggest a clear diurnal cycle at all radii between 200 and 1000 km with peak rainfall coverage and rain rate occurring in the morning (0130−0730 LST). PMID:29371745

Measurement of Capillary Radius and Contact Angle within Porous Media.

PubMed

Ravi, Saitej; Dharmarajan, Ramanathan; Moghaddam, Saeed

2015-12-01

The pore radius (i.e., capillary radius) and contact angle determine the capillary pressure generated in a porous medium. The most common method to determine these two parameters is through measurement of the capillary pressure generated by a reference liquid (i.e., a liquid with near-zero contact angle) and a test liquid. The rate of rise technique, commonly used to determine the capillary pressure, results in significant uncertainties. In this study, we utilize a recently developed technique for independently measuring the capillary pressure and permeability to determine the equivalent minimum capillary radii and contact angle of water within micropillar wick structures. In this method, the experimentally measured dryout threshold of a wick structure at different wicking lengths is fit to Darcy's law to extract the maximum capillary pressure generated by the test liquid. The equivalent minimum capillary radii of different wick geometries are determined by measuring the maximum capillary pressures generated using n-hexane as the working fluid. It is found that the equivalent minimum capillary radius is dependent on the diameter of pillars and the spacing between pillars. The equivalent capillary radii of micropillar wicks determined using the new method are found to be up to 7 times greater than the current geometry-based first-order estimates. The contact angle subtended by water at the walls of the micropillars is determined by measuring the capillary pressure generated by water within the arrays and the measured capillary radii for the different geometries. This mean contact angle of water is determined to be 54.7°.

RE-INFLATED WARM JUPITERS AROUND RED GIANTS

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

Lopez, Eric D.; Fortney, Jonathan J.

2016-02-10

Since the discovery of the first transiting hot Jupiters, models have sought to explain the anomalously large radii of highly irradiated gas giants. We now know that the size of hot Jupiter radius anomalies scales strongly with a planet's level of irradiation and numerous models like tidal heating, ohmic dissipation, and thermal tides have since been developed to help explain these inflated radii. In general, however, these models can be grouped into two broad categories: models that directly inflate planetary radii by depositing a fraction of the incident irradiation into the interior and models that simply slow a planet's radiativemore » cooling, allowing it to retain more heat from formation and thereby delay contraction. Here we present a new test to distinguish between these two classes of models. Gas giants orbiting at moderate orbital periods around post-main-sequence stars will experience enormous increases to their irradiation as their host stars move up the sub-giant and red-giant branches. If hot Jupiter inflation works by depositing irradiation into the planet's deep interiors then planetary radii should increase in response to the increased irradiation. This means that otherwise non-inflated gas giants at moderate orbital periods of >10 days can re-inflate as their host stars evolve. Here we explore the circumstances that can lead to the creation of these “re-inflated” gas giants and examine how the existence or absence of such planets can be used to place unique constraints on the physics of the hot Jupiter inflation mechanism. Finally, we explore the prospects for detecting this potentially important undiscovered population of planets.« less

Spherical nanoindentation study of the deformation micromechanisms of LiTaO{sub 3} single crystals

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

Anasori, B.; Barsoum, M. W.; Sickafus, K. E.

2011-07-15

Herein, spherical nanoindentation (NI) was used to investigate the room temperature deformation behavior of C-plane LiTaO{sub 3} single crystals loaded along the [0001] direction as a function of ion irradiation. When the NI load-displacement curves of 3 different nanoindenter radii (1.4 {mu}m, 5 {mu}m, and 21 {mu}m) were converted to NI stress-strain curves, good agreement between them was found. The surface first deforms elastically - with a Young's modulus of 205 {+-} 5 GPa, calculated from the stiffness versus contact radii curves and 207 {+-} 3 GPa measured using a Berkovich tip - and then plastically deforms at {approx_equal} 6more » GPa. Repeated loading into the same location results in large, reproducible, fully reversible, nested hysteresis loops attributed to the formation of incipient kink bands (IKBs). The latter are coaxial fully reversible dislocation loops that spontaneously shrink when the load is removed. The IKBs most probably nucleate within the (1012) twins that form near the surface. The sharper radii resulted in twin nucleation at lower stresses. The changes in the reversible loops' shape and areas can be related to the width of the twins that form. The latter were proportional to the nanoindenter tip radii and confirmed by scanning electron microscopy and by the fact that larger threshold stresses were needed for IKB nucleation with the smaller tip sizes. No effect of irradiation was observed on the NI response, presumably because of the mildness of the irradiation damage.« less

The inflated radii of M dwarfs in the Pleiades

NASA Astrophysics Data System (ADS)

Jackson, R. J.; Deliyannis, Constantine P.; Jeffries, R. D.

2018-05-01

Rotation periods obtained with the Kepler satellite have been combined with precise measurements of projected rotation velocity from the WIYN 3.5-m telescope to determine the distribution of projected radii for several hundred low-mass (0.1 ≤ M/M⊙ ≤ 0.8), fast-rotating members of the Pleiades cluster. A maximum likelihood modelling technique, that takes account of observational uncertainties, selection effects and censored data, and considers the effects of differential rotation and unresolved binarity, has been used to find that the average radius of these stars is 14 ± 2 per cent larger at a given luminosity than predicted by current evolutionary models of Dotter et al. and Baraffe et al. The same models are a reasonable match to the interferometric radii of older, magnetically inactive field M dwarfs, suggesting that the over-radius may be associated with the young, magnetically active nature of the Pleiades objects. No evidence is found for any change in this over-radius above and below the boundary marking the transition to full convection. Published evolutionary models that incorporate either the effects of magnetic inhibition of convection or the blocking of flux by dark star-spots do not individually explain the radius inflation, but a combination of the two effects might. The distribution of projected radii is consistent with the adopted hypothesis of a random spatial orientation of spin axes; strong alignments of the spin vectors into cones with an opening semi-angle <30° can be ruled out. Any plausible but weaker alignment would increase the inferred over-radius.

Interaction cross sections and matter radii of oxygen isotopes using the Glauber model

NASA Astrophysics Data System (ADS)

Ahmad, Suhel; Usmani, A. A.; Ahmad, Shakeb; Khan, Z. A.

2017-05-01

Using the Coulomb modified correlation expansion for the Glauber model S matrix, we calculate the interaction cross sections of oxygen isotopes (O-2616) on 12C at 1.0 GeV/nucleon. The densities of O-2616 are obtained using (i) the Slater determinants consisting of the harmonic oscillator single-particle wave functions (SDHO) and (ii) the relativistic mean-field approach (RMF). Retaining up to the two-body density term in the correlation expansion, the calculations are performed employing the free as well as the in-medium nucleon-nucleon (N N ) scattering amplitude. The in-medium N N amplitude considers the effects arising due to phase variation, higher momentum transfer components, and Pauli blocking. Our main focus in this work is to reveal how could one make the best use of SDHO densities with reference to the RMF one. The results demonstrate that the SDHO densities, along with the in-medium N N amplitude, are able to provide satisfactory explanation of the experimental data. It is found that, except for O,2423, the predicted SDHO matter rms radii of oxygen isotopes closely agree with those obtained using the RMF densities. However, for O,2423, our results require reasonably larger SDHO matter rms radii than the RMF values, thereby predicting thicker neutron skins in 23O and 24O as compared to RMF ones. In conclusion, the results of the present analysis establish the utility of SDHO densities in predicting fairly reliable estimates of the matter rms radii of neutron-rich nuclei.

Integration of uniform design and quantum-behaved particle swarm optimization to the robust design for a railway vehicle suspension system under different wheel conicities and wheel rolling radii

NASA Astrophysics Data System (ADS)

Cheng, Yung-Chang; Lee, Cheng-Kang

2017-10-01

This paper proposes a systematic method, integrating the uniform design (UD) of experiments and quantum-behaved particle swarm optimization (QPSO), to solve the problem of a robust design for a railway vehicle suspension system. Based on the new nonlinear creep model derived from combining Hertz contact theory, Kalker's linear theory and a heuristic nonlinear creep model, the modeling and dynamic analysis of a 24 degree-of-freedom railway vehicle system were investigated. The Lyapunov indirect method was used to examine the effects of suspension parameters, wheel conicities and wheel rolling radii on critical hunting speeds. Generally, the critical hunting speeds of a vehicle system resulting from worn wheels with different wheel rolling radii are lower than those of a vehicle system having original wheels without different wheel rolling radii. Because of worn wheels, the critical hunting speed of a running railway vehicle substantially declines over the long term. For safety reasons, it is necessary to design the suspension system parameters to increase the robustness of the system and decrease the sensitive of wheel noises. By applying UD and QPSO, the nominal-the-best signal-to-noise ratio of the system was increased from -48.17 to -34.05 dB. The rate of improvement was 29.31%. This study has demonstrated that the integration of UD and QPSO can successfully reveal the optimal solution of suspension parameters for solving the robust design problem of a railway vehicle suspension system.

One-dimensional pion, kaon, and proton femtoscopy in Pb-Pb collisions at s NN = 2.76 TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2015-11-19

Tmore » he size of the particle emission region in high-energy collisions can be deduced using the femtoscopic correlations of particle pairs at low relative momentum. Such correlations arise due to quantum statistics and Coulomb and strong final state interactions. In this paper, results are presented from femtoscopic analyses of π ± π ±, K ± K ±, K$$0\\atop{S}$$K$$0\\atop{S}$$, pp , and $$\\overline{p}$$ $$\\overline{p}$$ correlations from Pb-Pb collisions at s NN = 2.76 eV by the ALICE experiment at the LHC. One-dimensional radii of the system are extracted from correlation functions in terms of the invariant momentum difference of the pair. he comparison of the measured radii with the predictions from a hydrokinetic model is discussed. he pion and kaon source radii display a monotonic decrease with increasing average pair transverse mass m which is consistent with hydrodynamic model predictions for central collisions. Lastly, the kaon and proton source sizes can be reasonably described by approximate m scaling.« less

THE INFLUENCE OF ORBITAL ECCENTRICITY ON TIDAL RADII OF STAR CLUSTERS

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

Webb, Jeremy J.; Harris, William E.; Sills, Alison

2013-02-20

We have performed N-body simulations of star clusters orbiting in a spherically symmetric smooth galactic potential. The model clusters cover a range of initial half-mass radii and orbital eccentricities in order to test the historical assumption that the tidal radius of a cluster is imposed at perigalacticon. The traditional assumption for globular clusters is that since the internal relaxation time is larger than its orbital period, the cluster is tidally stripped at perigalacticon. Instead, our simulations show that a cluster with an eccentric orbit does not need to fully relax in order to expand. After a perigalactic pass, a clustermore » recaptures previously unbound stars, and the tidal shock at perigalacticon has the effect of energizing inner region stars to larger orbits. Therefore, instead of the limiting radius being imposed at perigalacticon, it more nearly traces the instantaneous tidal radius of the cluster at any point in the orbit. We present a numerical correction factor to theoretical tidal radii calculated at perigalacticon which takes into consideration both the orbital eccentricity and current orbital phase of the cluster.« less

Serpula and Spiraserpula (Polychaeta, Serpulidae) from the Tropical Western Atlantic and Gulf of Guinea

PubMed Central

Bastida-Zavala, Rolando

2012-01-01

Abstract Six species of Serpula and Spiraserpula were identified, mainly, from the material of the expeditions of the Rosenstiel School of Marine and Atmospheric Science, University of Miami, including two new species of Serpula. Serpula madrigalae sp. n. from the Turks and Caicos has a tube with five longitudinal ridges, four rows of alveoli and a medium-sized shallow symmetrical opercular funnel with 17 radii, and an inner surface with opercular tubercles. Serpula vossae sp. n. from the Western Caribbean and Bahamas has a tube with 6–8 longitudinal ridges, and a large, deep symmetrical opercular funnel, with 21–33 radii, and a smooth inner surface. Serpula cf. vermicularis, recorded from the Gulf of Guinea (tropical eastern Atlantic), is distinguished from the nominal species in possessing fewer opercular radii (33–39) and the lack of a proximal rasp in the bayonet chaetae; tubes are missing. The distribution range is extended for the three known Spiraserpula species found in the collections, Spiraserpula caribensis, Spiraserpula karpatensis and Spiraserpula ypsilon. PMID:22707904

Plasma observations near Saturn - Initial results from Voyager 2

NASA Technical Reports Server (NTRS)

Bridge, H. S.; Bagenal, F.; Belcher, J. W.; Lazarus, A. J.; Mcnutt, R. L.; Sullivan, J. D.; Gazis, P. R.; Hartle, R. E.; Ogilvie, K. W.; Scudder, J. D.

1982-01-01

Results of plasma measurements made by Voyager 2 in the vicinity of Saturn are discussed and compared with those made by Pioneer 11 and Voyager 1 in a more limited range of latitudes. The initial bow shock crossing on the inbound trajectory closely agreed with the shock position inferred from the external ram pressure in the solar wind, although boundaries on the outbound pass were much further out than expected. Magnetospheric plasma observations reveal the presence of (1) shocked solar wind plasma in the magnetosheath between 30 and 22 Saturn radii; (2) a variable density region between 17 Saturn radii and the magnetopause; (3) an extended thick plasma sheet between 17 and 7 Saturn radii; and (4) an inner plasma torus probably originating from local sources. The ratio of heavy to light ions was observed to vary with distance to the equatorial plane in the dayside magnetosphere, with the heavy ions, probably O(+), more closely confined to the equatorial plane. The plasma data also account for the observed inner boundary of the neutral hydrogen torus discovered by Voyager 1.

One-dimensional pion, kaon, and proton femtoscopy in Pb-Pb collisions at √{sNN}=2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Chunhui, Z.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; di Bari, D.; di Mauro, A.; di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacobs, P. M.; Jadlovska, S.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Luz, P. H. F. N. D.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Masui, H.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; McDonald, D.; Meddi, F.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moreira de Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papcun, P.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Peitzmann, T.; Pereira da Costa, H.; Pereira de Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seeder, K. S.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yang, H.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.; Alice Collaboration

2015-11-01

The size of the particle emission region in high-energy collisions can be deduced using the femtoscopic correlations of particle pairs at low relative momentum. Such correlations arise due to quantum statistics and Coulomb and strong final state interactions. In this paper, results are presented from femtoscopic analyses of π±π±,K±K±,KS0KS0,p p , and p ¯p ¯ correlations from Pb-Pb collisions at √{sNN}=2.76 TeV by the ALICE experiment at the LHC. One-dimensional radii of the system are extracted from correlation functions in terms of the invariant momentum difference of the pair. The comparison of the measured radii with the predictions from a hydrokinetic model is discussed. The pion and kaon source radii display a monotonic decrease with increasing average pair transverse mass mT which is consistent with hydrodynamic model predictions for central collisions. The kaon and proton source sizes can be reasonably described by approximate mT scaling.

Correlating hydrodynamic radii with that of two-dimensional nanoparticles

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

Yue, Yuan; Kan, Yuwei; Clearfield, Abraham

2015-12-21

Dynamic light scattering (DLS) is one of the most adapted methods to measure the size of nanoparticles, as referred to the hydrodynamic radii (R{sub h}). However, the R{sub h} represents only that of three-dimensional spherical nanoparticles. In the present research, the size of two-dimensional (2D) nanoparticles of yttrium oxide (Y{sub 2}O{sub 3}) and zirconium phosphate (ZrP) was evaluated through comparing their hydrodynamic diameters via DLS with lateral sizes obtained using scanning and transmission electron microscopy. We demonstrate that the hydrodynamic radii are correlated with the lateral sizes of both square and circle shaped 2D nanoparticles. Two proportional coefficients, i.e., correctingmore » factors, are proposed for the Brownian motion status of 2D nanoparticles. The correction is possible by simplifying the calculation of integrals in the case of small thickness approximation. The correcting factor has great significance for investigating the translational diffusion behavior of 2D nanoparticles in a liquid and in effective and low-cost measurement in terms of size and morphology of shape-specific nanoparticles.« less

Gold nanoparticle-polydimethylsiloxane films reflect light internally by optical diffraction and Mie scattering

NASA Astrophysics Data System (ADS)

Dunklin, Jeremy R.; Forcherio, Gregory T.; Roper, D. Keith

2015-08-01

Optical properties of polymer films embedded with plasmonic nanoparticles (NPs) are important in many implementations. In this work, optical extinction by polydimethylsiloxane (PDMS) films containing gold (Au) NPs was enhanced at resonance compared to AuNPs in suspensions, Beer-Lambert law, or Mie theory by internal reflection due to optical diffraction in 16 nm AuNP-PDMS films and Mie scattering in 76 nm AuNP-PDMS films. Resonant extinction per AuNP for 16 nm AuNPs with negligible resonant Mie scattering was enhanced up to 1.5-fold at interparticle separation (i.e., Wigner-Seitz radii) comparable to incident wavelength. It was attributable to diffraction through apertures formed by overlapping electric fields of adjacent, resonantly excited AuNPs at Wigner-Seitz radii equal to or less than incident wavelengths. Resonant extinction per AuNP for strongly Mie scattering 76 nm AuNPs was enhanced up to 1.3-fold at Wigner-Seitz radii four or more times greater than incident wavelength. Enhanced light trapping from diffraction and/or scattering is relevant to optoelectronic, biomedical, and catalytic activity of substrates embedded with NPs.

The transverse momentum dependence of charged kaon Bose–Einstein correlations in the SELEX experiment

DOE PAGES

Nigmatkulov, G. A.; et al.

2015-12-18

We report the measurement of the one-dimensional charged kaon correlation functions using 600 GeV/c Σ –, π – and 540 GeV/C ρ beams from the SELEX (E781) experiment at the Fermilab Tevatron. K ±K ± correlation functions are studied for three transverse pair momentum, kT, ranges and parameterized by a Gaussian form. The emission source radii, R, and the correlation strength, λ, are extracted. Furthermore, the analysis shows a decrease of the source radii with increasing kaon transverse pair momentum for all beam types.

A Doppler dimming determination of coronal outflow velocity

NASA Technical Reports Server (NTRS)

Strachan, Leonard; Kohl, John L.; Weiser, Heinz; Withbroe, George L.; Munro, Richard H.

1993-01-01

Outflow velocities in a polar coronal hole are derived from observations made during a 1982 sounding rocket flight. The velocity results are derived from a Doppler dimming analysis of resonantly scattered H I Ly-alpha. This analysis indicates radial outflow velocities of 217 km/s at 2 solar radii from sun-center with an uncertainty range of 153 to 251 km/s at a confidence level of 67 percent. These results are best characterized as strong evidence for supersonic outflow within 2 solar radii of sun-center in a polar coronal hole. Several means for obtaining improved accuracy in future observations are discussed.

Dark matter in elliptical galaxies

NASA Technical Reports Server (NTRS)

Carollo, C. M.; Zeeuw, P. T. DE; Marel, R. P. Van Der; Danziger, I. J.; Qian, E. E.

1995-01-01

We present measurements of the shape of the stellar line-of-sight velocity distribution out to two effective radii along the major axes of the four elliptical galaxies NGC 2434, 2663, 3706, and 5018. The velocity dispersion profiles are flat or decline gently with radius. We compare the data to the predictions of f = f(E, L(sub z)) axisymmetric models with and without dark matter. Strong tangential anisotropy is ruled out at large radii. We conclude from our measurements that massive dark halos must be present in three of the four galaxies, while for the fourth galaxy (NGC 2663) the case is inconclusive.

On approximate formulas for the electrostatic force between two conducting spheres

NASA Astrophysics Data System (ADS)

Sliško, Josip; Brito-Orta, Raúl A.

1998-04-01

A series expression for the electrostatic force between two charged conducting spheres having equal radii and charges is derived using the method of electrical images. This expression is a special case of that for two spheres with arbitrary charges and radii, found by Maxwell using zonal harmonics. Keeping in mind the use of approximate formulas for the interpretation of classroom measurements of the electrostatic force between spheres, we comment on two incorrect approximate formulas and examine the contribution of the first few non-Coulomb terms of the correct formula by comparing with values obtained using a computational approach.

HAT-P-65b and HAT-P-66b: Two Transiting Inflated Hot Jupiters and Observational Evidence for the Reinflation of Close-in Giant Planets

NASA Astrophysics Data System (ADS)

Hartman, J. D.; Bakos, G. Á.; Bhatti, W.; Penev, K.; Bieryla, A.; Latham, D. W.; Kovács, G.; Torres, G.; Csubry, Z.; de Val-Borro, M.; Buchhave, L.; Kovács, T.; Quinn, S.; Howard, A. W.; Isaacson, H.; Fulton, B. J.; Everett, M. E.; Esquerdo, G.; Béky, B.; Szklenar, T.; Falco, E.; Santerne, A.; Boisse, I.; Hébrard, G.; Burrows, A.; Lázár, J.; Papp, I.; Sári, P.

2016-12-01

We present the discovery of the transiting exoplanets HAT-P-65b and HAT-P-66b, with orbital periods of 2.6055 and 2.9721 days, masses of 0.527+/- 0.083 {M}{{J}} and 0.783+/- 0.057 {M}{{J}}, and inflated radii of 1.89+/- 0.13 {R}{{J}} and {1.59}-0.10+0.16 {R}{{J}}, respectively. They orbit moderately bright (V=13.145+/- 0.029 and V=12.993+/- 0.052) stars of mass 1.212+/- 0.050 {M}⊙ and {1.255}-0.054+0.107 {M}⊙ . The stars are at the main-sequence turnoff. While it is well known that the radii of close-in giant planets are correlated with their equilibrium temperatures, whether or not the radii of planets increase in time as their hosts evolve and become more luminous is an open question. Looking at the broader sample of well-characterized close-in transiting giant planets, we find that there is a statistically significant correlation between planetary radii and the fractional ages of their host stars, with a false-alarm probability of only 0.0041%. We find that the correlation between the radii of planets and the fractional ages of their hosts is fully explained by the known correlation between planetary radii and their present-day equilibrium temperatures; however, if the zero-age main-sequence equilibrium temperature is used in place of the present-day equilibrium temperature, then a correlation with age must also be included to explain the planetary radii. This suggests that, after contracting during the pre-main-sequence, close-in giant planets are reinflated over time due to the increasing level of irradiation received from their host stars. Prior theoretical work indicates that such a dynamic response to irradiation requires a significant fraction of the incident energy to be deposited deep within the planetary interiors. Based on observations obtained with the Hungarian-made Automated Telescope Network. Based on observations obtained at the W. M. Keck Observatory, which is operated by the University of California and the California Institute of Technology. Keck time has been granted by NOAO (A289Hr, A245Hr) and NASA (N029Hr, N154Hr, N130Hr, N133Hr, N169Hr, N186Hr). Based on observations obtained with the Tillinghast Reflector 1.5 m telescope and the 1.2 m telescope, both operated by the Smithsonian Astrophysical Observatory at the Fred Lawrence Whipple Observatory in Arizona. Based on observations made with the Nordic Optical Telescope, operated by the Nordic Optical Telescope Scientific Association at the Observatorio del Roque de los Muchachos, La Palma, Spain, of the Intituto de Astrofísica de Canarias. Based on observations made with the SOPHIE spectrograph on the 1.93 m telescope at Observatoire de Haute-Provence (OHP, CNRS/AMU), France (programs 15A.PNP.HEBR and 15B.PNP.HEBR). Data presented herein were obtained at the WIYN Observatory from telescope time allocated to NN-EXPLORE through the scientific partnership of the National Aeronautics and Space Administration, the National Science Foundation, and the National Optical Astronomy Observatory. This work was supported by a NASA WIYN PI Data Award, administered by the NASA Exoplanet Science Institute.

On the Sizes of the North Atlantic Basin Tropical Cyclones Based on 34- and 64-kt Wind Radii Data, 2004-2013

NASA Technical Reports Server (NTRS)

Wilson, Robert M.

2014-01-01

At end of the 2012 hurricane season the National Hurricane Center retired the original HURDAT dataset and replaced it with the newer version HURDAT2, which reformatted the original data and included additional information, in particular, estimates of the 34-, 50, and 64-kt wind radii for the interval 2004-2013. During the brief 10-year interval, some 164 tropical cyclones are noted to have formed in the North Atlantic basin, with 77 becoming hurricanes. Hurricane Sandy (2012) stands out as being the largest individual storm that occurred in the North Atlantic basin during the 2004 -2013 timeframe, both in terms of its 34- and 64-kt wind radii and wind areas, having maximum 34- and 64-kt wind radii, maximum wind areas, and average wind areas each more than 2 standard deviations larger than the corresponding means. In terms of the largest yearly total 34-kt wind area (i.e., the sum of all individual storm 34-kt wind areas during the year), the year 2010 stands out as being the largest (about 423 × 10(exp 6) nmi(exp 2)), compared to the mean of about 174 × 10(exp 6) nmi(exp 2)), surpassing the year 2005 (353 x 10(exp 6) nmi(exp 2)) that had the largest number of individual storms (28). However, in terms of the largest yearly total 64-kt wind area, the year 2005 was the largest (about 9 × 10(exp 6) nmi(exp 2)), compared to the mean of about 3 × 106 nmi(exp 2)). Interesting is that the ratio of total 64-kt wind area to total 34-kt wind area has decreased over time, from 0.034 in 2004 to 0.008 in 2013.

Sizing up the stars

NASA Astrophysics Data System (ADS)

Boyajian, Tabetha S.

For the main part of this dissertation, I have executed a survey of nearby, main sequence A, F, and G-type stars with the CHARA Array, successfully measuring the angular diameters of forty-four stars to better than 4% accuracy. The results of these observations also yield empirical determinations of stellar linear radii and effective temperatures for the stars observed. In addition, these CHARA-determined temperatures, radii, and luminosities are fit to Yonsei-Yale isochrones to constrain the masses and ages of the stars. These quantities are compared to the results found in Allende Prieto & Lambert (1999), Holmberg et al. (2007), and Takeda (2007), who indirectly determine these same properties by fitting models to observed photometry. I find that for most cases, the models underestimate the radius of the star by ~ 12%, while in turn they overestimate the effective temperature by ~ 1.5-4%, when compared to my directly measured values, with no apparent correlation to the star's metallicity or color index. These overestimated temperatures and underestimated radii in these works appear to cause an additional offset in the star's surface gravity measurements, which consequently yield higher masses and younger ages, in particular for stars with masses greater than ~ 1.3 [Special characters omitted.] . Alternatively, these quantities I measure are also compared to direct measurements from a large sample of eclipsing binary stars in Andersen (1991), and excellent agreement is seen within both data sets. Finally, a multi-parameter solution is found to fit color-temperature-metallicity values of the stars in this sample to provide a new calibration of the effective temperature scale for these types of stars. Published work in the field of stellar interferometry and optical spectroscopy of early-type stars are presented in Appendix D and E, respectively. INDEX WORDS: Interferometry, Infrared, Stellar Astronomy, Fundamental Properties, Effective Temperatures, Stellar Radii

Magnetic Inflation and Stellar Mass. I. Revised Parameters for the Component Stars of the Kepler Low-mass Eclipsing Binary T-Cyg1-12664

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

Han, Eunkyu; Muirhead, Philip S.; Swift, Jonathan J.

Several low-mass eclipsing binary stars show larger than expected radii for their measured mass, metallicity, and age. One proposed mechanism for this radius inflation involves inhibited internal convection and starspots caused by strong magnetic fields. One particular eclipsing binary, T-Cyg1-12664, has proven confounding to this scenario. Çakırlı et al. measured a radius for the secondary component that is twice as large as model predictions for stars with the same mass and age, but a primary mass that is consistent with predictions. Iglesias-Marzoa et al. independently measured the radii and masses of the component stars and found that the radius ofmore » the secondary is not in fact inflated with respect to models, but that the primary is, which is consistent with the inhibited convection scenario. However, in their mass determinations, Iglesias-Marzoa et al. lacked independent radial velocity measurements for the secondary component due to the star’s faintness at optical wavelengths. The secondary component is especially interesting, as its purported mass is near the transition from partially convective to a fully convective interior. In this article, we independently determined the masses and radii of the component stars of T-Cyg1-12664 using archival Kepler data and radial velocity measurements of both component stars obtained with IGRINS on the Discovery Channel Telescope and NIRSPEC and HIRES on the Keck Telescopes. We show that neither of the component stars is inflated with respect to models. Our results are broadly consistent with modern stellar evolutionary models for main-sequence M dwarf stars and do not require inhibited convection by magnetic fields to account for the stellar radii.« less

The Isophotal Structure of Star-forming Galaxies at 0.5 < z < 1.8 in CANDELS: Implications for the Evolution of Galaxy Structure

NASA Astrophysics Data System (ADS)

Jiang, Dongfei; Liu, F. S.; Zheng, Xianzhong; Yesuf, Hassen M.; Koo, David C.; Faber, S. M.; Guo, Yicheng; Koekemoer, Anton M.; Wang, Weichen; Fang, Jerome J.; Barro, Guillermo; Jia, Meng; Tong, Wei; Liu, Lu; Meng, Xianmin; Kocevski, Dale; McGrath, Elizabeth J.; Hathi, Nimish P.

2018-02-01

We have measured the radial profiles of isophotal ellipticity (ε) and disky/boxy parameter A 4 out to radii of about three times the semimajor axes for ∼4600 star-forming galaxies (SFGs) between redshift 0.5 and 1.8 in the CANDELS/GOODS-S and UDS fields. Based on the average size–mass relation in each redshift bin, we divide our galaxies at a given mass into Small SFGs (SSFGs; smaller than the average) and Large SFGs (LSFGs; larger than the average). We show that, at low masses ({M}* < {10}10{M}ȯ ), the SSFGs generally have nearly flat ε and A 4 profiles in both edge-on and face-on views, especially at z> 1. Moreover, the median A 4 values at all radii are almost zero. In contrast, the highly inclined low-mass LSFGs in the same mass-redshift bins generally have monotonically increasing ε profiles with radius and disky feature dominated in the intermediate regions. These findings imply that at these redshifts, the low-mass SSFGs are not disk-like, whereas the low-mass LSFGs likely harbour disk-like components flattened by significant rotations. At high masses ({M}* > {10}10{M}ȯ ), both highly inclined SSFGs and LSFGs generally exhibit distinct trends in both ε and A 4 profiles, which increase at lower radii, reach maxima, then decrease at larger radii. Such the feature is more prevalent for more massive ({M}* > {10}10.5{M}ȯ ) galaxies or at lower redshifts (z< 1.4). This feature can be simply explained if galaxies possess all three components: central bulges, disks in the intermediate regions, and halo-like stellar components in the outskirts.

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

NASA Astrophysics Data System (ADS)

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 < M < 0.4 M Sun), the discrepancy is only about 6% and comparable to results from interferometry and eclipsing binaries. At the lowest masses (0.08 < M < 0.18 M Sun), we find that the discrepancy between observations and 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.

Modelling sound propagation in the Southern Ocean to estimate the acoustic impact of seismic research surveys on marine mammals

NASA Astrophysics Data System (ADS)

Breitzke, Monika; Bohlen, Thomas

2010-05-01

Modelling sound propagation in the ocean is an essential tool to assess the potential risk of air-gun shots on marine mammals. Based on a 2.5-D finite-difference code a full waveform modelling approach is presented, which determines both sound exposure levels of single shots and cumulative sound exposure levels of multiple shots fired along a seismic line. Band-limited point source approximations of compact air-gun clusters deployed by R/V Polarstern in polar regions are used as sound sources. Marine mammals are simulated as static receivers. Applications to deep and shallow water models including constant and depth-dependent sound velocity profiles of the Southern Ocean show dipole-like directivities in case of single shots and tubular cumulative sound exposure level fields beneath the seismic line in case of multiple shots. Compared to a semi-infinite model an incorporation of seafloor reflections enhances the seismically induced noise levels close to the sea surface. Refraction due to sound velocity gradients and sound channelling in near-surface ducts are evident, but affect only low to moderate levels. Hence, exposure zone radii derived for different hearing thresholds are almost independent of the sound velocity structure. With decreasing thresholds radii increase according to a spherical 20 log10 r law in case of single shots and according to a cylindrical 10 log10 r law in case of multiple shots. A doubling of the shot interval diminishes the cumulative sound exposure levels by -3 dB and halves the radii. The ocean bottom properties only slightly affect the radii in shallow waters, if the normal incidence reflection coefficient exceeds 0.2.

3D Reconstruction of a Rotating Erupting Prominence

NASA Technical Reports Server (NTRS)

Thompson, W. T.; Kliem, B.; Torok, T.

2011-01-01

A bright prominence associated with a coronal mass ejection (CME) was seen erupting from the Sun on 9 April 2008. This prominence was tracked by both the Solar Terrestrial Relations Observatory (STEREO) EUVI and COR1 telescopes, and was seen to rotate about the line of sight as it erupted; therefore, the event has been nicknamed the "Cartwheel CME." The threads of the prominence in the core of the CME quite clearly indicate the structure of a weakly to moderately twisted flux rope throughout the field of view, up to heliocentric heights of 4 solar radii. Although the STEREO separation was 48 deg, it was possible to match some sharp features in the later part of the eruption as seen in the 304 Angstrom line in EUVI and in the H alpha-sensitive bandpass of COR1 by both STEREO Ahead and Behind. These features could then be traced out in three dimensional space, and reprojected into a view in which the eruption is directed towards the observer. The reconstructed view shows that the alignment of the prominence to the vertical axis rotates as it rises up to a leading-edge height of approximately equals 2.5 solar radii, and then remains approximately constant. The alignment at 2.5 solar radii differs by about 115 deg. from the original filament orientation inferred from H alpha and EUV data, and the height profile of the rotation, obtained here for the first time, shows that two thirds of the total rotation is reached within approximately equals 0.5 solar radii above the photosphere. These features are well reproduced by numerical simulations of an unstable moderately twisted flux rope embedded in external flux with a relatively strong shear field component.

Spread of the dust temperature distribution in circumstellar disks

NASA Astrophysics Data System (ADS)

Heese, S.; Wolf, S.; Dutrey, A.; Guilloteau, S.

2017-07-01

Context. Accurate temperature calculations for circumstellar disks are particularly important for their chemical evolution. Their temperature distribution is determined by the optical properties of the dust grains, which, among other parameters, depend on their radius. However, in most disk studies, only average optical properties and thus an average temperature is assumed to account for an ensemble of grains with different radii. Aims: We investigate the impact of subdividing the grain radius distribution into multiple sub-intervals on the resulting dust temperature distribution and spectral energy distribution (SED). Methods: The temperature distribution, the relative grain surface below a certain temperature, the freeze-out radius, and the SED were computed for two different scenarios: (1) Radius distribution represented by 16 logarithmically distributed radius intervals, and (2) radius distribution represented by a single grain species with averaged optical properties (reference). Results: Within the considered parameter range, I.e., of grain radii between 5 nm and 1 mm and an optically thin and thick disk with a parameterized density distribution, we obtain the following results: in optically thin disk regions, the temperature spread can be as large as 63% and the relative grain surface below a certain temperature is lower than in the reference disk. With increasing optical depth, the difference in the midplane temperature and the relative grain surface below a certain temperature decreases. Furthermore, below 20 K, this fraction is higher for the reference disk than for the case of multiple grain radii, while it shows the opposite behavior for temperatures above this threshold. The thermal emission in the case of multiple grain radii at short wavelengths is stronger than for the reference disk. The freeze-out radius (snowline) is a function of grain radius, spanning a radial range between the coldest and warmest grain species of 30 AU.

Rocky or Not, Here We Come: Further Revealing the Internal Structures of K2-21b+c Through Transit Timing

NASA Astrophysics Data System (ADS)

Stevenson, Kevin; Bean, Jacob; Dragomir, Diana; Fabrycky, Daniel; Kreidberg, Laura; Mills, Sean; Petigura, Erik

2016-08-01

The provenance of planets 1.5 - 2 times the size of the Earth is one of the biggest unresolved mysteries from the Kepler mission. Determining the nature and origins of these exoplanets relies not only on measuring their radii, but also requires knowledge about their masses, atmospheric compositions, and interior structures. With this information, we can more confidently estimate planet mass distributions from measured radii, distinguish between rocky and non-rocky compositions, and better constrain the occurrence rate of Earth-like planets. Last year, Co-I Petigura announced the discovery of a two-transiting-planet system, K2-21, with bodies of 1.6 and 1.9 Earth-radii. The latter is expected to have a volatile-rich atmosphere, but the former lies squarely on the rocky/non-rocky composition boundary. These exoplanets orbit their relatively bright, nearby M dwarf parent star in a near 5:3 resonance and, based on our successful Spitzer observations, exhibit measurable transit timing variations (TTVs). Complete knowledge about their interactions will reveal constraints on the planets' masses, which is important because significant stellar activity makes RV mass measurements impractical. We propose to continue measuring precise transit times of K2-21b and K2-21c with Spitzer and combine that information with existing K2 timing constraints to determine their masses. Understanding the planets' masses is a critical, first step to ultimately determining their atmospheric compositions and internal structures. These planets will provide an excellent test to current statistical arguments that suggest there is a turning point in composition from rocky, true-to-name super-Earths to volatile-rich sub-Neptunes in the range of 1.5 - 2 Earth-radii.

Fabrication and metrology of km-scale radii on surfaces of master tooling

NASA Astrophysics Data System (ADS)

Leistner, Achim J.; Oreb, Bozenko F.; Seckold, Jeffrey A.; Walsh, Christopher J.

1999-08-01

The Laser Interferometer Gravitational-wave Observatory (LIGO) core optical components have been manufactured by CSIRO. These optical substrates are optically polished on a lap surface that is made of Teflon coated onto a thick rigid faceted Zerodur base. To produce the km-scale radii (> 10 km) on these substrates the lap surface is shaped by abrading it with a fine ground silica plate whose radius of curvature corresponds to the one specified for the LIGO component. The plates are measured by a commercial phase stepping interferometer which is used in a grazing incidence arrangement. We describe the process of shaping and measuring the conditioning plates and laps.

Diamagnetic susceptibility of a hydrogenic donor in a group IV-VI quantum dot-quantum well heterostructure

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

Saravanamoorthy, S. N.; Peter, A. John, E-mail: a.john.peter@gmail.com

2016-05-23

Electronic properties of a hydrogenic donor impurity in a CdSe/Pb{sub 0.8}Cd{sub 0.2}Se/CdSe quantum dot quantum well system are investigated for various radii of core with shell materials. Confined energies are obtained taking into account the geometrical size of the system and thereby the donor binding energies are found. The diamagnetic susceptibility is estimated for a confined shallow donor in the well system. The results show that the diamagnetic susceptibility strongly depends on core and shell radii and it is more sensitive to variations of the geometrical size of the well material.

Design of experimental studies of human performance under influences of simulated artificial gravity. [effects of rotation on psychomotor tasks

NASA Technical Reports Server (NTRS)

Piland, W. M.; Hausch, H. G.; Maraman, G. V.; Green, J. A.

1973-01-01

A ground based research program is now being undertaken to provide data concerning the effects of a rotating environment on man's ability to adequately perform gross and fine psychomotor tasks. Emphasis is being placed on establishing the levels of artificial gravity and rates and radii of rotation required in future space systems for preservation of crew performance and comfort. An experimental study utilizing a rotational facility to investigate crew mobility, cargo transfer and handling, and fine motor coordination at radii up to 24 meters and at rotational rates up to 5 rpm is reported.

Bubble statistics in aged wet foams and the Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Zimnyakov, D. A.; Yuvchenko, S. A.; Tzyipin, D. V.; Samorodina, T. V.

2018-04-01

Results of the experimental study of changes in the bubble size statistics during aging of wet foams are discussed. It is proposed that the evolution of the bubble radii distributions can be described in terms of the one dimensional Fokker- Planck equation. The empirical distributions of the bubble radii exhibit a self-similarity of their shapes and can be transformed to a time-independent form using the radius renormalization. Analysis of obtained data allows us to suggest that the drift term of the Fokker-Planck equation dominates in comparison with the diffusion term in the case of aging of isolated quasi-stable wet foams.

A gaseous metal disk around a white dwarf.

PubMed

Gänsicke, B T; Marsh, T R; Southworth, J; Rebassa-Mansergas, A

2006-12-22

The destiny of planetary systems through the late evolution of their host stars is very uncertain. We report a metal-rich gas disk around a moderately hot and young white dwarf. A dynamical model of the double-peaked emission lines constrains the outer disk radius to just 1.2 solar radii. The likely origin of the disk is a tidally disrupted asteroid, which has been destabilized from its initial orbit at a distance of more than 1000 solar radii by the interaction with a relatively massive planetesimal object or a planet. The white dwarf mass of 0.77 solar mass implies that planetary systems may form around high-mass stars.

Cross-tail magnetic flux ropes as observed by the GEOTAIL spacecraft

NASA Technical Reports Server (NTRS)

Lepping, R. P.; Fairfield, D. H.; Jones, J.; Frank, L. A.; Paterson, W. R.; Kokubun, S.; Yamamoto, T.

1995-01-01

Ten transient magnetic structures in Earth's magnetotail, as observed in GEOTAIL measurements, selected for early 1993 (at (-) X(sub GSM) = 90 - 130 Earth radii), are shown to have helical magnetic field configurations similar to those of interplanetary magnetic clouds at 1 AU but smaller in size by a factor of approximately = 700. Such structures are shown to be well approximated by a comprehensive magnetic force-free flux-rope model. For this limited set of 10 events the rope axes are seen to be typically aligned with the Y(sub GSM) axis and the average diameter of these structures is approximately = 15 Earth radii.

An Examination of the Impact of Drizzle Drops on Satellite-Retrieved Effective Particle Sizes

NASA Technical Reports Server (NTRS)

Minnis, Patrick; Arduini, Robert F.; Young, David F.; Ayers, J, Kirk; Albrecht, Bruce A.; Sharon, Tarah; Stevens, Bjorn

2004-01-01

In general, cloud effective droplet radii are remotely sensed in the near-infrared using the assumption of a monomodal droplet size distribution. It has been observed in many instances, especially in relatively pristine marine environments, that cloud effective droplet radii derived from satellite data often exceed 15 m or more. Comparisons of remotely sensed and in situ retrievals indicate that the former often overestimates the latter in clouds with drizzle-size droplets. To gain a better understanding of this discrepancy, this paper performs a theoretical and empirical evaluation of the impact of drizzle drops on the derived effective radius.

Baryon octet electromagnetic form factors in a confining NJL model

NASA Astrophysics Data System (ADS)

Carrillo-Serrano, Manuel E.; Bentz, Wolfgang; Cloët, Ian C.; Thomas, Anthony W.

2016-08-01

Electromagnetic form factors of the baryon octet are studied using a Nambu-Jona-Lasinio model which utilizes the proper-time regularization scheme to simulate aspects of colour confinement. In addition, the model also incorporates corrections to the dressed quarks from vector meson correlations in the t-channel and the pion cloud. Comparison with recent chiral extrapolations of lattice QCD results shows a remarkable level of consistency. For the charge radii we find the surprising result that rEp < rEΣ+ and | rEn | < | rEΞ0 |, whereas the magnetic radii have a pattern largely consistent with a naive expectation based on the dressed quark masses.

An unambiguous determination of the propagation of a compressional Pc 5 wave

NASA Technical Reports Server (NTRS)

Lin, N.; Mcpherron, R. L.; Kivelson, M. G.; Williams, D. J.

1988-01-01

A compressional Pc5 event observed by the ISEE-1 magnetometer and Medium Energetic Particle Experiment instrument on August 21 and 22, 1978, is examined. The propagation properties of the compressional waves were determined using a technique which utilizes the finite Larmor radius effects in the signature of the multichannel energetic ion detector. It is shown that this technique determines unambiguously the propagation characteristics of the wave in both the azimuthal and the radial directions in the plane perpendicular to the background magnetic field; the results remained valid even though heavy energetic ions with Larmor radii larger than proton Larmor radii were present in the plasma.

An unambiguous determination of the propagation of a compressional Pc 5 wave

NASA Astrophysics Data System (ADS)

Lin, N.; McPherron, R. L.; Kivelson, M. G.; Williams, D. J.

1988-06-01

A compressional Pc5 event observed by the ISEE-1 magnetometer and Medium Energetic Particle Experiment instrument on August 21 and 22, 1978, is examined. The propagation properties of the compressional waves were determined using a technique which utilizes the finite Larmor radius effects in the signature of the multichannel energetic ion detector. It is shown that this technique determines unambiguously the propagation characteristics of the wave in both the azimuthal and the radial directions in the plane perpendicular to the background magnetic field; the results remained valid even though heavy energetic ions with Larmor radii larger than proton Larmor radii were present in the plasma.

Distribution of curvature of 3D nonrotational surfaces approximating the corneal topography

NASA Astrophysics Data System (ADS)

Kasprzak, Henryk T.

1998-10-01

The first part of the paper presents the analytical curves used to approximate the corneal profile. Next, some definition of 3D surfaces curvature, like main normal sections, main radii of curvature and their orientations are given. The examples of four nonrotational 3D surfaces such as: ellipsoidal, surface based on hyperbolic cosine function, sphero-cylindrical and toroidal, approximating the corneal topography are proposed. The 3D surface and the contour plots of main radii of curvature and their orientation for four nonrotational approximation of the cornea are shown. Results of calculations are discussed from the point of view of videokeratometric images.

Laser-spectroscopy studies of the nuclear structure of neutron-rich radium

NASA Astrophysics Data System (ADS)

Lynch, K. M.; Wilkins, S. G.; Billowes, J.; Binnersley, C. L.; Bissell, M. L.; Chrysalidis, K.; Cocolios, T. E.; Goodacre, T. Day; de Groote, R. P.; Farooq-Smith, G. J.; Fedorov, D. V.; Fedosseev, V. N.; Flanagan, K. T.; Franchoo, S.; Garcia Ruiz, R. F.; Gins, W.; Heinke, R.; Koszorús, Á.; Marsh, B. A.; Molkanov, P. L.; Naubereit, P.; Neyens, G.; Ricketts, C. M.; Rothe, S.; Seiffert, C.; Seliverstov, M. D.; Stroke, H. H.; Studer, D.; Vernon, A. R.; Wendt, K. D. A.; Yang, X. F.

2018-02-01

The neutron-rich radium isotopes, Ra-233222, were measured with Collinear Resonance Ionization Spectroscopy (CRIS) at the ISOLDE facility, CERN. The hyperfine structure of the 7 s2S10→7 s 7 p P31 transition was probed, allowing measurement of the magnetic moments, quadrupole moments, and changes in mean-square charge radii. These results are compared to existing literature values, and the new moments and change in mean-square charge radii of 231Ra are presented. Low-resolution laser spectroscopy of the very neutron-rich 233Ra has allowed the isotope shift and relative charge radius to be determined for the first time.

Large-scale correlations in gas traced by Mg II absorbers around low-mass galaxies

NASA Astrophysics Data System (ADS)

Kauffmann, Guinevere

2018-03-01

The physical origin of the large-scale conformity in the colours and specific star formation rates of isolated low-mass central galaxies and their neighbours on scales in excess of 1 Mpc is still under debate. One possible scenario is that gas is heated over large scales by feedback from active galactic nuclei (AGNs), leading to coherent modulation of cooling and star formation between well-separated galaxies. In this Letter, the metal line absorption catalogue of Zhu & Ménard is used to probe gas out to large projected radii around a sample of a million galaxies with stellar masses ˜1010M⊙ and photometric redshifts in the range 0.4 < z < 0.8 selected from Sloan Digital Sky Survey imaging data. This galaxy sample covers an effective volume of 2.2 Gpc3. A statistically significant excess of Mg II absorbers is present around the red-low-mass galaxies compared to their blue counterparts out to projected radii of 10 Mpc. In addition, the equivalent width distribution function of Mg II absorbers around low-mass galaxies is shown to be strongly affected by the presence of a nearby (Rp < 2 Mpc) radio-loud AGNs out to projected radii of 5 Mpc.

Photometric study of the W UMa eclipsing binaries VW LMi and BX Dra

NASA Astrophysics Data System (ADS)

Sánchez-Bajo, F.; García-Melendo, E.; Gómez-Forrellad, J. M.

2007-12-01

New ephemeris and the absolute parameters—masses, radii and luminosities—of the contact systems VW LMi and BX Dra have been obtained, by means of the analysis of the minima data available in the literature (for the determination of the ephemeris) and combining the previously published spectroscopic information and the results of the Wilson-Devinney method using photometric data (for the determination of the absolute parameters). The VW LMi O- C analysis confirms the multiplicity of the system detected previously from the spectroscopic data. Masses of the VW LMi contact system primary and secondary components are 1.67 ± 0.02 M ⊙ and 0.70 ± 0.02 M ⊙, respectively. The corresponding radii are 1.709 ± 0.007 R ⊙ and 1.208 ± 0.006 R ⊙, respectively. For the BX Dra contact system the masses are 2.19 ± 0.13 M ⊙ and 0.63 ± 0.06 M ⊙, and the radii, 2.13 ± 0.04 R ⊙ and 1.26 ± 0.03 R ⊙, for the primary and secondary, respectively. In both cases, the estimated luminosities seem to be slightly greater that the values derived from the Hipparcos distances.

Eye size and visual acuity influence vestibular anatomy in mammals.

PubMed

Kemp, Addison D; Christopher Kirk, E

2014-04-01

The semicircular canals of the inner ear detect head rotations and trigger compensatory movements that stabilize gaze and help maintain visual fixation. Mammals with large eyes and high visual acuity require precise gaze stabilization mechanisms because they experience diminished visual functionality at low thresholds of uncompensated motion. Because semicircular canal radius of curvature is a primary determinant of canal sensitivity, species with large canal radii are expected to be capable of more precise gaze stabilization than species with small canal radii. Here, we examine the relationship between mean semicircular canal radius of curvature, eye size, and visual acuity in a large sample of mammals. Our results demonstrate that eye size and visual acuity both explain a significant proportion of the variance in mean canal radius of curvature after statistically controlling for the effects of body mass and phylogeny. These findings suggest that variation in mean semicircular canal radius of curvature among mammals is partly the result of selection for improved gaze stabilization in species with large eyes and acute vision. Our results also provide a possible functional explanation for the small semicircular canal radii of fossorial mammals and plesiadapiforms. Copyright © 2014 Wiley Periodicals, Inc.

Prediction of apatite lattice constants from their constituent elemental radii and artificial intelligence methods.

PubMed

Wu, P; Zeng, Y Z; Wang, C M

2004-03-01

Lattice constants (LCs) of all possible 96 apatite compounds, A(5)(BO(4))(3)C, constituted by A[double bond]Ba(2+), Ca(2+), Cd(2+), Pb(2+), Sr(2+), Mn(2+); B[double bond]As(5+), Cr(5+), P(5+), V(5+); and C[double bond]F(1-), Cl(1-), Br(1-), OH(1-), are predicted from their elemental ionic radii, using pattern recognition (PR) and artificial neural networks (ANN) techniques. In particular, by a PR study it is demonstrated that ionic radii predominantly govern the LCs of apatites. Furthermore, by using ANN techniques, prediction models of LCs a and c are developed, which reproduce well the measured LCs (R(2)=0.98). All the literature reported on 30 pure and 22 mixed apatite compounds are collected and used in the present work. LCs of all possible 66 new apatites (assuming they exist) are estimated by the developed ANN models. These proposed new apatites may be of interest to biomedical research especially in the design of new apatite biomaterials for bone remodeling. Similarly these techniques may also be applied in the study of interface growth behaviors involving other biomaterials.

Bayesian Analysis of Hot Jupiter Radius Anomalies Points to Ohmic Dissipation

NASA Astrophysics Data System (ADS)

Thorngren, Daniel; Fortney, Jonathan

2018-01-01

The cause of the unexpectedly large radii of hot Jupiters has been the subject of many hypotheses over the past 15 years and is one of the long-standing open issues in exoplanetary physics. In our work, we seek to examine the population of 300 hot Jupiters to identify a model that best explains their radii. Using a hierarchical Bayesian framework, we match structure evolution models to the observed giant planets’ masses, radii, and ages, with a prior for bulk composition based on the mass from Thorngren et al. (2016). We consider various models for the relationship between heating efficiency (the fraction of flux absorbed into the interior) and incident flux. For the first time, we are able to derive this heating efficiency as a function of planetary T_eq. Models in which the heating efficiency decreases at the higher temperatures (above ~1600 K) are strongly and statistically significantly preferred. Of the published models for the radius anomaly, only the Ohmic dissipation model predicts this feature, which it explains as being the result of magnetic drag reducing atmospheric wind speeds. We interpret our results as evidence in favor of the Ohmic dissipation model.

Extracting p Λ scattering lengths from heavy ion collisions

NASA Astrophysics Data System (ADS)

Shapoval, V. M.; Erazmus, B.; Lednicky, R.; Sinyukov, Yu. M.

2015-09-01

The source radii previously extracted by the STAR Collaboration from the p -Λ ⊕p ¯-Λ ¯ and p ¯-Λ ⊕p -Λ ¯ correlation functions measured in 10% most central Au+Au collisions at top Relativistic Heavy Ion Collider (RHIC) energy, √{sN N}=200 GeV, differ by a factor of 2. The probable reason for this is the neglect of residual correlation effect in the STAR analysis. In the present paper we analyze baryon correlation functions within the Lednický and Lyuboshitz analytical model, extended to effectively account for the residual correlation contribution. Different analytical approximations for such a contribution are considered. We also use the averaged source radii extracted from hydrokinetic model (HKM) simulations to fit the experimental data. In contrast to the STAR experimental study, the calculations in HKM show both p Λ and p Λ ¯ radii to be quite close, as expected from theoretical considerations. Using the effective Gaussian parametrization of residual correlations we obtain a satisfactory fit to the measured baryon-antibaryon correlation function with the HKM source radius value 3.28 fm. The baryon-antibaryon spin-averaged strong interaction scattering length is also extracted from the fit to the experimental correlation function.

Constructing a statistical atlas of the radii of the optic nerve and cerebrospinal fluid sheath in young healthy adults

NASA Astrophysics Data System (ADS)

Harrigan, Robert L.; Plassard, Andrew J.; Mawn, Louise A.; Galloway, Robert L.; Smith, Seth A.; Landman, Bennett A.

2015-03-01

Optic neuritis is a sudden inflammation of the optic nerve (ON) and is marked by pain on eye movement, and visual symptoms such as a decrease in visual acuity, color vision, contrast and visual field defects. The ON is closely linked with multiple sclerosis (MS) and patients have a 50% chance of developing MS within 15 years. Recent advances in multi-atlas segmentation methods have omitted volumetric assessment. In the past, measuring the size of the ON has been done by hand. We utilize a new method of automatically segmenting the ON to measure the radii of both the ON and surrounding cerebrospinal fluid (CSF) sheath to develop a normative distribution of healthy young adults. We examine this distribution for any trends and find that ON and CSF sheath radii do not vary between 20-35 years of age and between sexes. We evaluate how six patients suffering from optic neuropathy compare to this distribution of controls. We find that of these six patients, five of them qualitatively differ from the normative distribution which suggests this technique could be used in the future to distinguish between optic neuritis patients and healthy controls

Size fractionation and size characterization of nanoemulsions of lipid droplets and large unilamellar lipid vesicles by asymmetric-flow field-flow fractionation/multi-angle light scattering and dynamic light scattering.

PubMed

Vezočnik, Valerija; Rebolj, Katja; Sitar, Simona; Ota, Katja; Tušek-Žnidarič, Magda; Štrus, Jasna; Sepčić, Kristina; Pahovnik, David; Maček, Peter; Žagar, Ema

2015-10-30

Asymmetric-flow field-flow fractionation technique coupled to a multi-angle light-scattering detector (AF4-MALS) was used together with dynamic light-scattering (DLS) in batch mode and transmission electron microscopy (TEM) to study the size characteristics of the trioleoylglycerol lipid droplets covered by a monolayer of sphingomyelin and cholesterol, in water phase. These lipid droplet nanoemulsions (LD) were formed by ultrasonication. In parallel, the size characteristics of large unilamellar lipid vesicles (LUV) prepared by extrusion and composed of sphingomyelin and cholesterol were determined. LD and LUV were prepared at two different molar ratios (1/1, 4/1) of sphingomyelin and cholesterol. In AF4-MALS, various cross-flow conditions and mobile phase compositions were tested to optimize the separation of LD or LUV particles. The particle radii, R, as well as the root-mean-square radii, Rrms, of LD and LUV were determined by AF4-MALS, whereas the hydrodynamic radii, Rh, were obtained by DLS. TEM visualization revealed round shape particles of LD and LUV. Copyright © 2015 Elsevier B.V. All rights reserved.

Locally adapted NeQuick 2 model performance in European middle latitude ionosphere under different solar, geomagnetic and seasonal conditions

NASA Astrophysics Data System (ADS)

Vuković, Josip; Kos, Tomislav

2017-10-01

The ionosphere introduces positioning error in Global Navigation Satellite Systems (GNSS). There are several approaches for minimizing the error, with various levels of accuracy and different extents of coverage area. To model the state of the ionosphere in a region containing low number of reference GNSS stations, a locally adapted NeQuick 2 model can be used. Data ingestion updates the model with local level of ionization, enabling it to follow the observed changes of ionization levels. The NeQuick 2 model was adapted to local reference Total Electron Content (TEC) data using single station approach and evaluated using calibrated TEC data derived from 41 testing GNSS stations distributed around the data ingestion point. Its performance was observed in European middle latitudes in different ionospheric conditions of the period between 2011 and 2015. The modelling accuracy was evaluated in four azimuthal quadrants, with coverage radii calculated for three error thresholds: 12, 6 and 3 TEC Units (TECU). Diurnal radii change was observed for groups of days within periods of low and high solar activity and different seasons of the year. The statistical analysis was conducted on those groups of days, revealing trends in each of the groups, similarities between days within groups and the 95th percentile radii as a practically applicable measure of model performance. In almost all cases the modelling accuracy was better than 12 TECU, having the biggest radius from the data ingestion point. Modelling accuracy better than 6 TECU was achieved within reduced radius in all observed periods, while accuracy better than 3 TECU was reached only in summer. The calculated radii and interpolated error levels were presented on maps. That was especially useful in analyzing the model performance during the strongest geomagnetic storms of the observed period, with each of them having unique development and influence on model accuracy. Although some of the storms severely degraded the model accuracy, during most of the disturbed periods the model could be used, but with lower accuracy than in the quiet geomagnetic conditions. The comprehensive analysis of locally adapted NeQuick 2 model performance highlighted the challenges of using the single point data ingestion applied to a large region in middle latitudes and determined the achievable radii for different error thresholds in various ionospheric conditions.

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.

PubMed

Marenich, Aleksandr V; Cramer, Christopher J; Truhlar, Donald G

2009-05-07

We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a continuum description of the solvent. The model is called SMD, where the "D" stands for "density" to denote that the full solute electron density is used without defining partial atomic charges. "Continuum" denotes that the solvent is not represented explicitly but rather as a dielectric medium with surface tension at the solute-solvent boundary. SMD is a universal solvation model, where "universal" denotes its applicability to any charged or uncharged solute in any solvent or liquid medium for which a few key descriptors are known (in particular, dielectric constant, refractive index, bulk surface tension, and acidity and basicity parameters). The model separates the observable solvation free energy into two main components. The first component is the bulk electrostatic contribution arising from a self-consistent reaction field treatment that involves the solution of the nonhomogeneous Poisson equation for electrostatics in terms of the integral-equation-formalism polarizable continuum model (IEF-PCM). The cavities for the bulk electrostatic calculation are defined by superpositions of nuclear-centered spheres. The second component is called the cavity-dispersion-solvent-structure term and is the contribution arising from short-range interactions between the solute and solvent molecules in the first solvation shell. This contribution is a sum of terms that are proportional (with geometry-dependent proportionality constants called atomic surface tensions) to the solvent-accessible surface areas of the individual atoms of the solute. The SMD model has been parametrized with a training set of 2821 solvation data including 112 aqueous ionic solvation free energies, 220 solvation free energies for 166 ions in acetonitrile, methanol, and dimethyl sulfoxide, 2346 solvation free energies for 318 neutral solutes in 91 solvents (90 nonaqueous organic solvents and water), and 143 transfer free energies for 93 neutral solutes between water and 15 organic solvents. The elements present in the solutes are H, C, N, O, F, Si, P, S, Cl, and Br. The SMD model employs a single set of parameters (intrinsic atomic Coulomb radii and atomic surface tension coefficients) optimized over six electronic structure methods: M05-2X/MIDI!6D, M05-2X/6-31G, M05-2X/6-31+G, M05-2X/cc-pVTZ, B3LYP/6-31G, and HF/6-31G. Although the SMD model has been parametrized using the IEF-PCM protocol for bulk electrostatics, it may also be employed with other algorithms for solving the nonhomogeneous Poisson equation for continuum solvation calculations in which the solute is represented by its electron density in real space. This includes, for example, the conductor-like screening algorithm. With the 6-31G basis set, the SMD model achieves mean unsigned errors of 0.6-1.0 kcal/mol in the solvation free energies of tested neutrals and mean unsigned errors of 4 kcal/mol on average for ions with either Gaussian03 or GAMESS.

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

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

Marenich, Aleksandr; Cramer, Christopher J; Truhlar, Donald G

2009-04-30

We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a continuum description of the solvent. The model is called SMD, where the “D” stands for “density” to denote that the full solute electron density is used without defining partial atomic charges. “Continuum” denotes that the solvent is not represented explicitly but rather as a dielectric medium with surface tension at the solute-solvent boundary. SMD is a universal solvation model, where “universal” denotes its applicability to any charged or uncharged solute in any solvent or liquid medium for which amore » few key descriptors are known (in particular, dielectric constant, refractive index, bulk surface tension, and acidity and basicity parameters). The model separates the observable solvation free energy into two main components. The first component is the bulk electrostatic contribution arising from a self-consistent reaction field treatment that involves the solution of the nonhomogeneous Poisson equation for electrostatics in terms of the integral-equation-formalism polarizable continuum model (IEF-PCM). The cavities for the bulk electrostatic calculation are defined by superpositions of nuclear-centered spheres. The second component is called the cavity-dispersion-solvent-structure term and is the contribution arising from short-range interactions between the solute and solvent molecules in the first solvation shell. This contribution is a sum of terms that are proportional (with geometry-dependent proportionality constants called atomic surface tensions) to the solvent-accessible surface areas of the individual atoms of the solute. The SMD model has been parametrized with a training set of 2821 solvation data including 112 aqueous ionic solvation free energies, 220 solvation free energies for 166 ions in acetonitrile, methanol, and dimethyl sulfoxide, 2346 solvation free energies for 318 neutral solutes in 91 solvents (90 nonaqueous organic solvents and water), and 143 transfer free energies for 93 neutral solutes between water and 15 organic solvents. The elements present in the solutes are H, C, N, O, F, Si, P, S, Cl, and Br. The SMD model employs a single set of parameters (intrinsic atomic Coulomb radii and atomic surface tension coefficients) optimized over six electronic structure methods: M05-2X/MIDI!6D, M05-2X/6-31G*, M05-2X/6-31+G**, M05-2X/cc-pVTZ, B3LYP/6-31G*, and HF/6-31G*. Although the SMD model has been parametrized using the IEF-PCM protocol for bulk electrostatics, it may also be employed with other algorithms for solving the nonhomogeneous Poisson equation for continuum solvation calculations in which the solute is represented by its electron density in real space. This includes, for example, the conductor-like screening algorithm. With the 6-31G* basis set, the SMD model achieves mean unsigned errors of 0.6-1.0 kcal/mol in the solvation free energies of tested neutrals and mean unsigned errors of 4 kcal/mol on average for ions with either Gaussian03 or GAMESS.« less

(Almost) Dark Galaxies in the ALFALFA Survey: HI-bearing Ultra-Diffuse Galaxies, and Beyond

NASA Astrophysics Data System (ADS)

Leisman, Luke; Haynes, Martha P.; Giovanelli, Riccardo; ALFALFA Almost Darks Team

2017-01-01

Scaling relations between HI and stars in galaxies suggest strong ties between their atomic gas content and star formation laws. The Arecibo Legacy Fast ALFA (ALFALFA) blind extragalactic HI survey is well positioned to locate very low surface brightness sources that lie off these relations, the most extreme of which may fall below optical detection limits. Thus, the ALFALFA (Almost) Darks Project has been investigating extreme outliers from these relations by studying the ~1% of ALFALFA sources without apparent stellar counterparts in major optical surveys. We have obtained deep HI and optical imaging of 25 of these candidate "dark" sources. We find that most "dark" sources are not extreme "(almost) dark" galaxies. A few are rare OH Megamasers, redshifted into the ALFALFA bandpass, and many are part of large galactic plumes, stretching as far as 600 kpc from their host galaxy. However, a small handful of sources appear to be galaxies with extreme stellar systems. We find multiple systems with HI mass to stellar mass ratios an order of magnitude larger than typical gas rich dwarfs. Further, we find an isolated population of HI-bearing "ultra diffuse" galaxies (UDGs), with stellar masses of dwarfs, but HI and optical radii of L* galaxies. We suggest that these sources may be related to recently reported gas poor, quiescent UDGs.

Pick-off annihilation of positronium in matter using full correlation single particle potentials: solid He.

PubMed

Zubiaga, A; Tuomisto, F; Puska, M J

2015-01-29

We investigate the modeling of positronium (Ps) states and their pick-off annihilation trapped at open volumes pockets in condensed molecular matter. Our starting point is the interacting many-body system of Ps and a He atom because it is the smallest entity that can mimic the energy gap between the highest occupied and lowest unoccupied molecular orbitals of molecules, and yet the many-body structure of the HePs system can be calculated accurately enough. The exact-diagonalization solution of the HePs system enables us to construct a pairwise full-correlation single-particle potential for the Ps-He interaction, and the total potential in solids is obtained as a superposition of the pairwise potentials. We study in detail Ps states and their pick-off annihilation rates in voids inside solid He and analyze experimental results for Ps-induced voids in liquid He obtaining the radii of the voids. More importantly, we generalize our conclusions by testing the validity of the Tao-Eldrup model, widely used to analyze ortho-Ps annihilation measurements for voids in molecular matter, against our theoretical results for the solid He. Moreover, we discuss the influence of the partial charges of polar molecules and the strength of the van der Waals interaction on the pick-off annihilation rate.

Testing stellar evolution models with detached eclipsing binaries

NASA Astrophysics Data System (ADS)

Higl, J.; Weiss, A.

2017-12-01

Stellar evolution codes, as all other numerical tools, need to be verified. One of the standard stellar objects that allow stringent tests of stellar evolution theory and models, are detached eclipsing binaries. We have used 19 such objects to test our stellar evolution code, in order to see whether standard methods and assumptions suffice to reproduce the observed global properties. In this paper we concentrate on three effects that contain a specific uncertainty: atomic diffusion as used for standard solar model calculations, overshooting from convective regions, and a simple model for the effect of stellar spots on stellar radius, which is one of the possible solutions for the radius problem of M dwarfs. We find that in general old systems need diffusion to allow for, or at least improve, an acceptable fit, and that systems with convective cores indeed need overshooting. Only one system (AI Phe) requires the absence of it for a successful fit. To match stellar radii for very low-mass stars, the spot model proved to be an effective approach, but depending on model details, requires a high percentage of the surface being covered by spots. We briefly discuss improvements needed to further reduce the freedom in modelling and to allow an even more restrictive test by using these objects.

Control of Ion Selectivity in LeuT: Two Na+ Binding Sites with two different mechanisms

PubMed Central

Noskov, Sergei Y.; Roux, Benoît

2016-01-01

The x-ray structure of LeuT, a bacterial homologue of Na+/Cl−-dependent neurotransmitter transporter, provides a great opportunity to better understand the molecular basis of monovalent cation selectivity in ion-coupled transporters. LeuT possesses two ion-binding sites, NA1 and NA2, which are highly selective for Na+. Extensive all-atom free energy molecular dynamics simulations of LeuT embedded in an explicit membrane are performed at different temperatures and various occupancy states of the binding sites to dissect the molecular mechanism of ion selectivity. The results show that the two binding sites display robust selectivity for Na+ over K+ or Li+, the competing ions of most similar radii. Of particular interest, the mechanism primarily responsible for selectivity for each of the two binding sites appears to be different. In site NA1, selectivity for Na+ over K+ arises predominantly from the strong electrostatic field arising from the negatively charged carboxylate group of the leucine substrate coordinating the ion directly. In site NA2, which comprises only neutral ligands, selectivity for Na+ is enforced by the local structural restraints arising from the hydrogen-bonding network and the covalent connectivity of the poly-peptide chain surrounding the ion according to a snug-fit mechanism. PMID:18280500