Competitive internal transfers in metastable decay of cluster ions

NASA Astrophysics Data System (ADS)

Buonomo, E.; Gianturco, F. A.; Delgado-Barrio, G.; Miret-Artés, S.; Villarreal, P.

1994-05-01

In a previous study of fragmentation patterns of (Ar)+3 clusters [G. Delgado-Barrio, S. Miret-Artés, P. Villarreal, and F. A. Gianturco, Z. Phys. D 27, 354 (1993)] it was found that overall rotations control the lifetimes of the occupied metastable states of the cluster and that a spherical, effective interaction was sufficient to describe the dynamical process. In the present study, the strong anisotropy of a more realistic three-particle interaction is introduced and its effects on metastable decay are examined. By separating internal rotations from internal vibrations of the diatomic ion, it is possible to show that internal predissociation pathways are very efficient and lead to very short lifetimes. The latter can be lengthened only when overall rotational states are directly included, thus confirming the physical picture of the earlier work.

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

Campbell, W; Miften, M; Jones, B

Purpose: Pancreatic SBRT relies on extremely accurate delivery of ablative radiation doses to the target, and intra-fractional tracking of fiducial markers can facilitate improvements in dose delivery. However, this requires algorithms that are able to find fiducial markers with high speed and accuracy. The purpose of this study was to develop a novel marker tracking algorithm that is robust against many of the common errors seen with traditional template matching techniques. Methods: Using CBCT projection images, a method was developed to create detailed template images of fiducial marker clusters without prior knowledge of the number of markers, their positions, ormore » their orientations. Briefly, the method (i) enhances markers in projection images, (ii) stabilizes the cluster’s position, (iii) reconstructs the cluster in 3D, and (iv) precomputes a set of static template images dependent on gantry angle. Furthermore, breathing data were used to produce 4D reconstructions of clusters, yielding dynamic template images dependent on gantry angle and breathing amplitude. To test these two approaches, static and dynamic templates were used to track the motion of marker clusters in more than 66,000 projection images from 75 CBCT scans of 15 pancreatic SBRT patients. Results: For both static and dynamic templates, the new technique was able to locate marker clusters present in projection images 100% of the time. The algorithm was also able to correctly locate markers in several instances where only some of the markers were visible due to insufficient field-of-view. In cases where clusters exhibited deformation and/or rotation during breathing, dynamic templates resulted in cross-correlation scores up to 70% higher than static templates. Conclusion: Patient-specific templates provided complete tracking of fiducial marker clusters in CBCT scans, and dynamic templates helped to provide higher cross-correlation scores for deforming/rotating clusters. This novel algorithm provides an extremely accurate method to detect fiducial markers during treatment. Research funding provided by Varian Medical Systems to Miften and Jones.« less

Validation of gait analysis with dynamic radiostereometric analysis (RSA) in patients operated with total hip arthroplasty.

PubMed

Zügner, Roland; Tranberg, Roy; Lisovskaja, Vera; Shareghi, Bita; Kärrholm, Johan

2017-07-01

We simultaneously examined 14 patients with OTS and dynamic radiostereometric analysis (RSA) to evaluate the accuracy of both skin- and a cluster-marker models. The mean differences between the OTS and RSA system in hip flexion, abduction, and rotation varied up to 9.5° for the skin-marker and up to 11.3° for the cluster-marker models, respectively. Both models tended to underestimate the amount of flexion and abduction, but a significant systematic difference between the marker and RSA evaluations could only be established for recordings of hip abduction using cluster markers (p = 0.04). The intra-class correlation coefficient (ICC) was 0.7 or higher during flexion for both models and during abduction using skin markers, but decreased to 0.5-0.6 when abduction motion was studied with cluster markers. During active hip rotation, the two marker models tended to deviate from the RSA recordings in different ways with poor correlations at the end of the motion (ICC ≤0.4). During active hip motions soft tissue displacements occasionally induced considerable differences when compared to skeletal motions. The best correlation between RSA recordings and the skin- and cluster-marker model was found for studies of hip flexion and abduction with the skin-marker model. Studies of hip abduction with use of cluster markers were associated with a constant underestimation of the motion. Recordings of skeletal motions with use of skin or cluster markers during hip rotation were associated with high mean errors amounting up to about 10° at certain positions. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:1515-1522, 2017. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Molecular dynamics simulation of the coalescence and melting process of Au and Cu nano-clusters

NASA Astrophysics Data System (ADS)

Chen, Gang; Wang, Chuan Jie; Zhang, Peng

2018-03-01

Molecular dynamic (MD) method is used to study the coalescence and fusing process of Au and Cu nanoclusters. The results show that shear deformation, surface and interface diffusion play important role in different stages of all simulation procedure. In most cases, shear deformation produces the twin boundary or/and stacking fault in particles by particle rotation and slide. The angle between the {111} of Au and Cu particles decrease with increasing temperature, which promotes the formation of the stable interface. Furthermore, the coalescence point and melting temperature increase as cluster diameter increases. For the other cases, there are no particle rotation and slide phenomenon in the elevating temperature process because the stable interface can be formed by forming twin boundaries once two particles contact.

Differences in the rotational properties of multiple stellar populations in M13: a faster rotation for the `extreme' chemical subpopulation

NASA Astrophysics Data System (ADS)

Cordero, M. J.; Hénault-Brunet, V.; Pilachowski, C. A.; Balbinot, E.; Johnson, C. I.; Varri, A. L.

2017-03-01

We use radial velocities from spectra of giants obtained with the WIYN telescope, coupled with existing chemical abundance measurements of Na and O for the same stars, to probe the presence of kinematic differences among the multiple populations of the globular cluster (GC) M13. To characterize the kinematics of various chemical subsamples, we introduce a method using Bayesian inference along with a Markov chain Monte Carlo algorithm to fit a six-parameter kinematic model (including rotation) to these subsamples. We find that the so-called extreme population (Na-enhanced and extremely O-depleted) exhibits faster rotation around the centre of the cluster than the other cluster stars, in particular, when compared with the dominant `intermediate' population (moderately Na-enhanced and O-depleted). The most likely difference between the rotational amplitude of this extreme population and that of the intermediate population is found to be ˜4 km s-1 , with a 98.4 per cent probability that the rotational amplitude of the extreme population is larger than that of the intermediate population. We argue that the observed difference in rotational amplitudes, obtained when splitting subsamples according to their chemistry, is not a product of the long-term dynamical evolution of the cluster, but more likely a surviving feature imprinted early in the formation history of this GC and its multiple populations. We also find an agreement (within uncertainties) in the inferred position angle of the rotation axis of the different subpopulations considered. We discuss the constraints that these results may place on various formation scenarios.

The interaction between atomic displacement cascades and tilt symmetrical grain boundaries in α-zirconium

NASA Astrophysics Data System (ADS)

Kapustin, P.; Svetukhin, V.; Tikhonchev, M.

2017-06-01

The atomic displacement cascade simulations near symmetric tilt grain boundaries (GBs) in hexagonal close packed-Zirconium were considered in this paper. Further defect structure analysis was conducted. Four symmetrical tilt GBs -∑14?, ∑14? with the axis of rotation [0 0 0 1] and ∑32?, ∑32? with the axis of rotation ? - were considered. The molecular dynamics method was used for atomic displacement cascades' simulation. A tendency of the point defects produced in the cascade to accumulate near the GB plane, which was an obstacle to the spread of the cascade, was discovered. The results of the point defects' clustering produced in the cascade were obtained. The clusters of both types were represented mainly by single point defects. At the same time, vacancies formed clusters of a large size (more than 20 vacancies per cluster), while self-interstitial atom clusters were small-sized.

Using Open Clusters to Trace the Local Milky Way Rotation Curve and Velocity Field

NASA Astrophysics Data System (ADS)

Frinchaboy, Peter M.; Majewski, S. R.

2006-12-01

Establishing the rotation curve of the Milky Way is one of the fundamental contributions needed to understand the Galaxy and its mass distribution. We have undertaken a systematic spectroscopic survey of open star clusters which can serve as tracers of Galactic disk dynamics. We report on our initial sample of 67 clusters for which the Hydra multi-fiber spectrographs on the WIYN and Blanco telescopes have delivered 1-2 km/s radial velocities (RVs) of many dozens of stars in the fields of each cluster, which are used to derive cluster membership and bulk cluster kinematics when combined with Tycho-2 proper motions. The clusters selected for study have a broad spatial distribution in order to be sensitive to the disk velocity field in all Galactic quadrants and across a Galactocentric radius range as much as 3.0 kpc from the solar circle. Through analysis of the cluster sample, we find (1) the rotation velocity of the LSR is 221 (+2,-4) km/s, (2) the local rotation curve is declining with radius having a slope of -9.0 km/s/kpc, (3) we find (using R_0 = 8.5 kpc) the following Galactic parameters: A = 17.0 km/s/kpc and B = -8.9 km/s/kpc, which yields a Galaxy mass within of 1.5 R_0 of M = 0.9 ± 0.2 x 10^11 solar masses and a M/L of 5.9 in solar units. We also explore the distribution of the local velocity field and find evidence for non-circular motion due to the sprial arms.

Interacting Star Clusters

NASA Astrophysics Data System (ADS)

Gieles, M.

2013-06-01

The early evolution of star cluster formation is a complicated phase in which several astrophysical processes with different time-scales operate simultaneously. From kinematical data of the young massive cluster R136 it was recently found that the cluster is in virial equilibrium; despite its young age it has already settled in a dynamical equilibrium. Somewhat surprisigly, about a quarter of the (kinetic) energy is in a rotational component. From HST observations of R136 a small clump of stars to the North-East of R136 was found, with indications that this clump is interacting/merging with R136. In this talk I will discuss whether these two observational results should be connected, i.e. whether the rotation signal is due to an ongoing "dry" interaction. The results are illustrated with a suite of N-body simulations of R136 like systems.

Effect of tidal fields on star clusters

NASA Technical Reports Server (NTRS)

Chernoff, David; Weinberg, Martin

1991-01-01

We follow the dynamical evolution of a star cluster in a galactic tidal field using a restricted N-body code. We find large asymmetric distortions in the outer profile of the cluster in the first 10 or so crossing times as material is lost. Prograde stars escape preferentially and establish a potentially observable retrograde rotation in the halo. We present the rate of particle loss and compare with the prescription proposed by Lee and Ostriker (1987).

Landing Biomechanics in Participants With Different Static Lower Extremity Alignment Profiles

PubMed Central

Nguyen, Anh-Dung; Shultz, Sandra J.; Schmitz, Randy J.

2015-01-01

Context: Whereas static lower extremity alignment (LEA) has been identified as a risk factor for anterior cruciate ligament injury, little is known about its influence on joint motion and moments commonly associated with anterior cruciate ligament injury. Objective: To cluster participants according to combinations of LEA variables and compare these clusters in hip- and knee-joint kinematics and kinetics during the landing phase of a drop-jump task. Design: Descriptive laboratory study. Setting: Research laboratory. Patients or Other Participants: A total of 141 participants (50 men: age = 22.2 ± 2.8 years, height = 177.9 ± 9.3 cm, weight = 80.9 ± 13.3 kg; 91 women: age = 21.2 ± 2.6 years, height = 163.9 ± 6.6 cm, weight = 61.1 ± 8.7 kg). Main Outcome Measure(s): Static LEA included pelvic angle, femoral anteversion, quadriceps angle, tibiofemoral angle, genu recurvatum, tibial torsion, and navicular drop. Cluster analysis grouped participants according to their static LEA profiles, and these groups were compared on their hip- and knee-joint kinematics and external moments during the landing phase of a double-legged drop jump. Results: Three distinct clusters (C1–C3) were identified based on their static LEAs. Participants in clusters characterized with static internally rotated hip and valgus knee posture (C1) and externally rotated knee and valgus knee posture (C3) alignments demonstrated greater knee-valgus motion and smaller hip-flexion moments than the cluster with more neutral static alignment (C2). Participants in C1 also experienced greater hip internal-rotation and knee external-rotation moments than those in C2 and C3. Conclusions: Static LEA clusters that are positioned anatomically with a more rotated and valgus knee posture experienced greater dynamic valgus along with hip and knee moments during landing. Whereas static LEA contributes to differences in hip and knee rotational moments, sex may influence the differences in frontal-plane knee kinematics and sagittal-plane hip moments. PMID:25658815

Deep HST Imaging in 47 Tucanae: A Global Dynamical Model

NASA Astrophysics Data System (ADS)

Heyl, J.; Caiazzo, I.; Richer, H.; Anderson, J.; Kalirai, J.; Parada, J.

2017-12-01

Multi-epoch observations with the Advanced Camera Survey and WFC3 on the Hubble Space Telescope provide a unique and comprehensive probe of stellar dynamics within 47 Tucanae. We confront analytic models of the globular cluster with the observed stellar proper motions that probe along the main sequence from just above 0.8-0.1M ⊙ as well as white dwarfs younger than 1 Gyr. One field lies just beyond the half-light radius where dynamical models (e.g., lowered Maxwellian distributions) make robust predictions for the stellar proper motions. The observed proper motions in this outer field show evidence for anisotropy in the velocity distribution as well as skewness; the latter is evidence of rotation. The measured velocity dispersions and surface brightness distributions agree in detail with a rotating anisotropic model of the stellar distribution function with mild dependence of the proper-motion dispersion on mass. However, the best-fitting models underpredict the rotation and skewness of the stellar velocities. In the second field, centered on the core of the cluster, the mass segregation in proper motion is much stronger. Nevertheless the model developed in the outer field can be extended inward by taking this mass segregation into account in a heuristic fashion. The proper motions of the main-sequence stars yield a mass estimate of the cluster of 1.31+/- 0.02× {10}6{M}⊙ at a distance of 4.7 kpc. By comparing the proper motions of a sample of giant and subgiant stars with the observed radial velocities we estimate the distance to the cluster kinematically to be 4.29 ± 0.47 kpc.

Simulations of particle structuring driven by electric fields

NASA Astrophysics Data System (ADS)

Hu, Yi; Vlahovska, Petia; Miksis, Michael

2015-11-01

Recent experiments (Ouriemi and Vlahovska, 2014) show intriguing surface patterns when a uniform electric field is applied to a droplet covered with colloidal particles. Depending on the particle properties and the electric field intensity, particles organize into an equatorial belt, pole-to-pole chains, or dynamic vortices. Here we present 3D simulations of the collective particle dynamics, which account for electrohydrodynamic flow and dielectrophoresis of particles. In stronger electric fields, particles are expected to undergo Quincke rotation and impose disturbance to the ambient flow. Transition from ribbon-shaped belt to rotating clusters is observed in the presence of the rotation-induced hydrodynamical interactions. Our results provide insight into the various particle assembles discovered in the experiments.

Extended Star Formation or a Range of Stellar Rotation Velocities? The Nature of Extended Main Sequence Turnoffs in Intermediate-Age Star Clusters

NASA Astrophysics Data System (ADS)

Goudfrooij, Paul

2016-10-01

Recently, deep color-magnitude diagrams (CMDs) from HST data revealed that several massive intermediate-age star clusters in the Magellanic Clouds exhibit extended main-sequence turn-offs (eMSTOs), and in some cases also dual red clumps. This poses serious questions regarding the mechanisms responsible for the formation of massive star clusters and their well-known light-element abundance variations. The nature of eMSTOs is currently a hotly debated topic of study. Several recent studies indicate that the eMSTOs are caused by an age spread of about 100-500 Myr among cluster stars, while other studies indicate that eMSTOs can be caused by a coeval population in which the relevant stars span a range of rotation velocities. Formal evidence to (dis-)prove either scenario still remains at large, mainly because the available stellar tracks that incorporate the effects of rotation are only available for masses > 1.7 Msun whereas the stars in the known eMSTOs of intermediate-age clusters are less massive. To circumvent this issue, we identified a massive star cluster in the Large Magellanic Cloud (LMC) that has the right dynamical properties to host an eMSTO along with an age at which the effects of age spreads to CMD morphology are substantially different from those of spreads of rotation rates: the 600 Myr old cluster NGC 1831. We propose to obtain deep WFC3/UVIS imaging with filters F336W and F814W to analyze the morphologies of the MSTO and upper MS regions of NGC 1831 at high precision and compare with model predictions. This will have a lasting impact on our understanding of the eMSTO phenomenon and of star cluster formation in general.

Cluster adsorption on amorphous and crystalline surfaces - A molecular dynamics study of model Pt on Cu and model Pd on Pt

NASA Technical Reports Server (NTRS)

Garofalini, S. H.; Halicioglu, T.; Pound, G. M.

1981-01-01

Molecular dynamics was used to study the structure, dispersion and short-time behavior of ten-atom clusters adsorbed onto amorphous and crystalline substrates, in which the cluster atoms differed from the substrate atoms. Two adatom-substrate model systems were chosen; one, in which the interaction energy between adatom pairs was greater than that between substrate pairs, and the other, in which the reverse was true. At relatively low temperature ranges, increased dispersion of cluster atoms occurred: (a) on the amorphous substrate as compared to the FCC(100) surface, (b) with increasing reduced temperature, and (c) with adatom-substrate interaction energy stronger than adatom-adatom interaction. Two-dimensional clusters (rafts) on the FCC(100) surface displayed migration of edge atoms only, indicating a mechanism for the cluster rotation and shape changes found in experimental studies.

Dynamical Stability and Long-term Evolution of Rotating Stellar Systems

NASA Astrophysics Data System (ADS)

Varri, Anna L.; Vesperini, E.; McMillan, S. L. W.; Bertin, G.

2011-05-01

We present the first results of an extensive survey of N-body simulations designed to investigate the dynamical stability and the long-term evolution of two new families of self-consistent stellar dynamical models, characterized by the presence of internal rotation. The first family extends the well-known King models to the case of axisymmetric systems flattened by solid-body rotation while the second family is characterized by differential rotation. The equilibrium configurations thus obtained can be described in terms of two dimensionless parameters, which measure the concentration and the amount of rotation, respectively. Slowly rotating configurations are found to be dynamically stable and we followed their long-term evolution, in order to evaluate the interplay between collisional relaxation and angular momentum transport. We also studied the stability of rapidly rotating models, which are characterized by the presence of a toroidal core embedded in an otherwise quasi-spherical configuration. In both cases, a description in terms of the radial and global properties, such as the ratio between the ordered kinetic energy and the gravitational energy of the system, is provided. Because the role of angular momentum in the process of cluster formation is only partly understood, we also undertook a preliminary investigation of the violent relaxation of simple systems initially characterized by approximate solid-body rotation. The properties of the final equilibrium configurations thus obtained are compared with those of the above-described family of differentially rotating models.

Multi-scale study of condensation in water jets using ellipsoidal-statistical Bhatnagar-Gross-Krook and molecular dynamics modeling

NASA Astrophysics Data System (ADS)

Li, Zheng; Borner, Arnaud; Levin, Deborah A.

2014-06-01

Homogeneous water condensation and ice formation in supersonic expansions to vacuum for stagnation pressures from 12 to 1000 mbar are studied using the particle-based Ellipsoidal-Statistical Bhatnagar-Gross-Krook (ES-BGK) method. We find that when condensation starts to occur, at a stagnation pressure of 96 mbar, the increase in the degree of condensation causes an increase in the rotational temperature due to the latent heat of vaporization. The simulated rotational temperature profiles along the plume expansion agree well with measurements confirming the kinetic homogeneous condensation models and the method of simulation. Comparisons of the simulated gas and cluster number densities, cluster size for different stagnation pressures along the plume centerline were made and it is found that the cluster size increase linearly with respect to stagnation pressure, consistent with classical nucleation theory. The sensitivity of our results to cluster nucleation model and latent heat values based on bulk water, specific cluster size, or bulk ice are examined. In particular, the ES-BGK simulations are found to be too coarse-grained to provide information on the phase or structure of the clusters formed. For this reason, molecular dynamics simulations of water condensation in a one-dimensional free expansion to simulate the conditions in the core of a plume are performed. We find that the internal structure of the clusters formed depends on the stagnation temperature. A larger cluster of average size 21 was tracked down the expansion, and a calculation of its average internal temperature as well as a comparison of its radial distribution functions (RDFs) with values measured for solid amorphous ice clusters lead us to conclude that this cluster is in a solid-like rather than liquid form. In another molecular-dynamics simulation at a much lower stagnation temperature, a larger cluster of size 324 and internal temperature 200 K was extracted from an expansion plume and equilibrated to determine its RDF and self-diffusion coefficient. The value of the latter shows that this cluster is formed in a supercooled liquid state rather than in an amorphous solid state.

X-Ray source populations in old open clusters: Collinder 261

NASA Astrophysics Data System (ADS)

Vats, Smriti; van den Berg, Maureen; Wijnands, Rudy

2014-09-01

We are carrying out an X-ray survey of old open clusters with the Chandra X-ray Observatory. Single old stars, being slow rotators, are very faint in X-rays (L_X < 1×10^27 erg/s). Hence, X-rays produced by mass transfer in cataclysmic variables (CVs) or by rapid rotation of the stars in tidally locked, detached binaries (active binaries; ABs) can be detected, without contamination from single stars. By comparing the properties of various types of interacting binaries in different environments (the Galactic field, old open clusters, globular clusters), we aim to study binary evolution and how it may be affected by dynamical encounters with other cluster stars. Stellar clusters are good targets to study binaries, as age, distance, chemical composition, are well constrained. Collinder (Cr) 261 is an old open cluster (age ~ 7 Gyr), with one of the richest populations inferred of close binaries and blue stragglers of all open clusters and is therefore an obvious target to study the products of close encounters in open clusters. We will present the first results of this study, detailing the low-luminosity X-ray population of Cr 261, in conjunction with other open clusters in our survey (NGC 188, Berkeley 17, NGC 6253, M67, NGC 6791) and in comparison with populations in globular clusters.

Symmetry-Based Techniques for Qualitative Understanding of Rovibrational Effects in Spherical-Top Molecular Spectra and Dynamics

NASA Astrophysics Data System (ADS)

Mitchell, Justin Chadwick

2011-12-01

Using light to probe the structure of matter is as natural as opening our eyes. Modern physics and chemistry have turned this art into a rich science, measuring the delicate interactions possible at the molecular level. Perhaps the most commonly used tool in computational spectroscopy is that of matrix diagonalization. While this is invaluable for calculating everything from molecular structure and energy levels to dipole moments and dynamics, the process of numerical diagonalization is an opaque one. This work applies symmetry and semi-classical techniques to elucidate numerical spectral analysis for high-symmetry molecules. Semi-classical techniques, such as the Potential Energy Surfaces, have long been used to help understand molecular vibronic and rovibronic spectra and dynamics. This investigation focuses on newer semi-classical techniques that apply Rotational Energy Surfaces (RES) to rotational energy level clustering effects in high-symmetry molecules. Such clusters exist in rigid rotor molecules as well as deformable spherical tops. This study begins by using the simplicity of rigid symmetric top molecules to clarify the classical-quantum correspondence of RES semi-classical analysis and then extends it to a more precise and complete theory of modern high-resolution spectra. RES analysis is extended to molecules having more complex and higher rank tensorial rotational and rovibrational Hamiltonians than were possible to understand before. Such molecules are shown to produce an extraordinary range of rotational level clusters, corresponding to a panoply of symmetries ranging from C4v to C2 and C1 (no symmetry) with a corresponding range of new angular momentum localization and J-tunneling effects. Using RES topography analysis and the commutation duality relations between symmetry group operators in the lab-frame to those in the body-frame, it is shown how to better describe and catalog complex splittings found in rotational level clusters. Symmetry character analysis is generalized to give analytic eigensolutions. An appendix provides vibrational analogies. For the first time, interactions between molecular vibrations (polyads) are described semi-classically by multiple RES. This is done for the nu 3/2nu4 dyad of CF4. The nine-surface RES topology of the U(9)-dyad agrees with both computational and experimental work. A connection between this and a simpler U(2) example is detailed in an Appendix.

Vibration-rotation-tunneling dynamics in small water clusters

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

Pugliano, Nick

The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm -1 intermolecular vibration of the water dimer-d 4. Each of the VRT subbands originate from K a''=0 and terminate in either K a'=0 or 1. These data provide a complete characterization of the tunneling dynamics in themore » vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A' rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K a' quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a' symmetry, and the vibration is assigned as the v 12 acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D 2O-DOH isotopomer.« less

Blue straggler star populations in globular clusters. I. Dynamical properties of blue straggler stars in NGC 3201, NGC 6218, and ω Centauri

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

Simunovic, Mirko; Puzia, Thomas H., E-mail: msimunov@astro.puc.cl, E-mail: tpuzia@astro.puc.cl

2014-02-10

We present the first dynamical study of blue straggler stars (BSSs) in three Galactic globular clusters, NGC 3201, NGC 5139 (ω Cen), and NGC 6218, based on medium-resolution spectroscopy (R ≈ 10, 000) obtained with the Inamori-Magellan Areal Camera and Spectrograph mounted at the 6.5 m Baade Magellan telescope. Our BSS candidate selection technique uses HST/ACS and ESO/WFI photometric data out to >4.5 r{sub c} . We use radial velocity measurements to discard non-members and achieve a success rate of ∼93%, which yields a sample of 116 confirmed BSSs. Using the penalized pixel-fitting method (pPXF), we measure the vsin (i)more » values of the sample BSSs and find their distribution functions peaked at slow velocities with a long tail toward fast velocities in each globular cluster. About 90% of the BSS population in NGC 3201 and NGC 6218 exhibits values in the range 10-50 km s{sup –1}, while about 80% of the BSSs in ω Cen show vsin (i) values between 20 and 70 km s{sup –1}. We find that the BSSs in NGC 3201 and NGC 6218 that show vsin (i) > 50 km s{sup –1} are all found in the central cluster regions, inside a projected 2r{sub c} , of their parent clusters. We find a similar result in ω Cen for BSSs with vsin (i) > 70 km s{sup –1}, which are all, except for two, concentrated inside 2r{sub c} . In all globular clusters, we find rapidly rotating BSSs that have relatively high differential radial velocities that likely put them on hyperbolic orbits, suggestive of strong dynamical interactions in the past. Based on stellar spin-down and dynamical crossing timescales, we estimate that all the observed rapidly rotating BSSs are likely to form in their central cluster regions no longer than ∼300 Myr ago and may be subsequently ejected from their host globular clusters. Using dereddened V – I colors of our photometric selection, we show that blue BSSs in ω Cen with (V – I){sub 0} ≲ 0.25 mag show a significantly increased vsin (i) dispersion compared with their red counterparts and all other BSSs in our sample, therefore strongly implying that fast-rotating BSSs in ω Cen are preferentially bluer, i.e., more massive. This may indicate that this particular blue BSS population was formed in a unique formation event and/or through a unique mechanism.« less

A New Estimator of the Deceleration Parameter from Galaxy Rotation Curves

NASA Astrophysics Data System (ADS)

van Putten, Maurice H. P. M.

2016-06-01

The nature of dark energy can be probed by the derivative Q={{dq}(z)/{dz}| }0 at redshift z = 0 of the deceleration parameter q(z). It is probably static if Q\\lt 1 or dynamic if Q\\gt 2.5, supporting ΛCDM or {{Λ }}=(1-q){H}2, respectively, where H denotes the Hubble parameter. We derive q=1-{(4π {a}0/{cH})}2, enabling a determination of q(z) by measuring Milgrom’s parameter, {a}0(z), in galaxy rotation curves, equivalent to the coefficient A in the Tully-Fisher relation {V}c4={{AM}}b between a rotation velocity V c and a baryonic mass M b . We infer that dark matter should be extremely light, with clustering limited to the size of galaxy clusters. The associated transition radius to non-Newtonian gravity can conceivably be probed in a freefall Cavendish-type experiment in space.

Functionally relevant protein motions: Extracting basin-specific collective coordinates from molecular dynamics trajectories

NASA Astrophysics Data System (ADS)

Pan, Patricia Wang; Dickson, Russell J.; Gordon, Heather L.; Rothstein, Stuart M.; Tanaka, Shigenori

2005-01-01

Functionally relevant motion of proteins has been associated with a number of atoms moving in a concerted fashion along so-called "collective coordinates." We present an approach to extract collective coordinates from conformations obtained from molecular dynamics simulations. The power of this technique for differentiating local structural fuctuations between classes of conformers obtained by clustering is illustrated by analyzing nanosecond-long trajectories for the response regulator protein Spo0F of Bacillus subtilis, generated both in vacuo and using an implicit-solvent representation. Conformational clustering is performed using automated histogram filtering of the inter-Cα distances. Orthogonal (varimax) rotation of the vectors obtained by principal component analysis of these interresidue distances for the members of individual clusters is key to the interpretation of collective coordinates dominating each conformational class. The rotated loadings plots isolate significant variation in interresidue distances, and these are associated with entire mobile secondary structure elements. From this we infer concerted motions of these structural elements. For the Spo0F simulations employing an implicit-solvent representation, collective coordinates obtained in this fashion are consistent with the location of the protein's known active sites and experimentally determined mobile regions.

B11-: a moving subnanoscale tank tread

NASA Astrophysics Data System (ADS)

Wang, Ying-Jin; Zhao, Xiao-Yun; Chen, Qiang; Zhai, Hua-Jin; Li, Si-Dian

2015-09-01

We present a concept that an elongated, planar boron cluster can serve as a ``tank tread'' at the sub-nanometer scale, a novel propulsion system for potential nanomachines. Density functional calculations at the PBE0/6-311+G* level for the global-minimum B11-C2v (1A1) and B11C2v (2B2) structures along the soft in-plane rotational mode allow the identification of their corresponding B11-C2v and B11C2v transition states, with small rotational energy barriers of 0.42 and 0.55 kcal mol-1, respectively. The energy barriers are refined to 0.35 and 0.60 kcal mol-1 at the single-point CCSD(T) level, suggesting that the clusters are structurally fluxional at room temperature. Molecular dynamics simulations show that B11- and B11 behave exactly like a tank tread, in which the peripheral B9 ring rotates almost freely around the B2 core. A full turn of rotation may be accomplished in around 2 ps. In contrast to molecular wheels or Wankel motors, the peripheral boron atoms in the tank tread behave as a flexible chain gliding around, rather than as a rigid wheel rotation. This finding is beyond imagination, which expands the concepts of molecular wheels and Wankel motors.We present a concept that an elongated, planar boron cluster can serve as a ``tank tread'' at the sub-nanometer scale, a novel propulsion system for potential nanomachines. Density functional calculations at the PBE0/6-311+G* level for the global-minimum B11-C2v (1A1) and B11C2v (2B2) structures along the soft in-plane rotational mode allow the identification of their corresponding B11-C2v and B11C2v transition states, with small rotational energy barriers of 0.42 and 0.55 kcal mol-1, respectively. The energy barriers are refined to 0.35 and 0.60 kcal mol-1 at the single-point CCSD(T) level, suggesting that the clusters are structurally fluxional at room temperature. Molecular dynamics simulations show that B11- and B11 behave exactly like a tank tread, in which the peripheral B9 ring rotates almost freely around the B2 core. A full turn of rotation may be accomplished in around 2 ps. In contrast to molecular wheels or Wankel motors, the peripheral boron atoms in the tank tread behave as a flexible chain gliding around, rather than as a rigid wheel rotation. This finding is beyond imagination, which expands the concepts of molecular wheels and Wankel motors. Electronic supplementary information (ESI) available: A short movie extracted from the molecular dynamics (MD) simulation for B11- optimized structures of the C2v (1A1) global minimum (GM) and C2v (1A1) transition state (TS) of B11- and those of their corresponding B11 neutral clusters at the PBE0/6-311+G* level; the total electron localization function (ELF) of the GM of B11-C2v (1A1); chemical bonding in the C2v TS of B11- as revealed from the ELF and adaptive natural density partitioning (AdNDP) analyses; the structural evolution of B11 during the peripheral rotation; and the Cartesian coordinates for the GM structures of B11-C2v (1A1), B11C2v (2B2), and their C2v TS states at the PBE0/6-311+G* level. See DOI: 10.1039/c5nr03732h

Bacteria rolling: motilities of rosette colonies in Caulobacter crescentus

NASA Astrophysics Data System (ADS)

Zeng, Yu; Liu, Bin

2016-11-01

The aquatic bacterium Caulobacter crescentus has two life cycle stages with distinct motilities: freely swimming swarmer cells and immotile stalked cells. Here, we show a new type of movement performed by freely suspended rosettes, spontaneous aggregates of stalked cells aligned radially relative to each other. Reproductive rosette members generate predivisional daughter cells with flagella, inducing rotations of the rosette as a whole. Such rotations exhibit dynamic angular velocities and lead to intermittent linear movements along liquid-solid interfaces, resembling rolling movements. We reconstructed the translational and rotational dynamics of the rosette movements from high-speed filming and long-term tracking. A mechanical model was developed to explain the hydrodynamic mechanism underlying such motilities. Our study illustrated a nontrivial mechanism for clustered bacteria to achieve motilities and sheds light on the adaptive significance of the collective behaviors of microorganisms in complex fluid environments.

The doubling of stellar black hole nuclei

NASA Astrophysics Data System (ADS)

Kazandjian, Mher V.; Touma, J. R.

2013-04-01

It is strongly believed that Andromeda's double nucleus signals a disc of stars revolving around its central supermassive black hole on eccentric Keplerian orbits with nearly aligned apsides. A self-consistent stellar dynamical origin for such apparently long-lived alignment has so far been lacking, with indications that cluster self-gravity is capable of sustaining such lopsided configurations if and when stimulated by external perturbations. Here, we present results of N-body simulations which show unstable counter-rotating stellar clusters around supermassive black holes saturating into uniformly precessing lopsided nuclei. The double nucleus in our featured experiment decomposes naturally into a thick eccentric disc of apo-apse aligned stars which is embedded in a lighter triaxial cluster. The eccentric disc reproduces key features of Keplerian disc models of Andromeda's double nucleus; the triaxial cluster has a distinctive kinematic signature which is evident in Hubble Space Telescope observations of Andromeda's double nucleus, and has been difficult to reproduce with Keplerian discs alone. Our simulations demonstrate how the combination of an eccentric disc and a triaxial cluster arises naturally when a star cluster accreted over a preexisting and counter-rotating disc of stars drives disc and cluster into a mutually destabilizing dance. Such accretion events are inherent to standard galaxy formation scenarios. They are here shown to double stellar black hole nuclei as they feed them.

Near infrared overtone (vOH = 2 ← 0) spectroscopy of Ne-H2O clusters

NASA Astrophysics Data System (ADS)

Ziemkiewicz, Michael P.; Pluetzer, Christian; Wojcik, Michael; Loreau, Jérôme; van der Avoird, Ad; Nesbitt, David J.

2017-03-01

Vibrationally state selective overtone spectroscopy and dynamics of weakly bound Ne-H2O complexes (D0(para) = 31.67 cm-1, D0(ortho) = 34.66 cm-1) are reported for the first time, based on near infrared excitation of van der Waals cluster bands correlating with vOH = 2 ← 0 overtone transitions (|02-⟩←|00+⟩ and |02+⟩ ←|00+⟩ ) out of the ortho (101) and para (000) internal rotor states of the H2O moiety. Quantum theoretical calculations for nuclear motion on a high level ab initio potential energy surface (CCSD(T)/VnZ-f12 (n = 3,4), corrected for basis set superposition error and extrapolated to the complete basis set limit) are employed for assignment of Σ ←Σ ,Π ←Σ , and Σ ←Π infrared bands in the overtone spectra, where Σ ( K = 0) and Π (K = 1) represent approximate projections (K) of the body angular momentum along the Ne-H2O internuclear axis. End-over-end tumbling of the ortho Ne-H2O cluster is evident via rotational band contours observed, with band origins and rotational progressions in excellent agreement with ab initio frequency and intensity predictions. A clear Q branch in the corresponding |02+⟩fΠ (111) ←eΣ (000) para Ne-H2O spectrum provides evidence for a novel e/f parity-dependent metastability in these weakly bound clusters, in agreement with ab initio bound state calculations and attributable to the symmetry blocking of an energetically allowed channel for internal rotor predissociation. Finally, Boltzmann analysis of the rotational spectra reveals anomalously low jet temperatures (Trot ≈ 4(1) K), which are attributed to "evaporative cooling" of weakly bound Ne-H2O clusters and provide support for similar cooling dynamics in rare gas-tagging studies.

Orbits of Selected Globular Clusters in the Galactic Bulge

NASA Astrophysics Data System (ADS)

Pérez-Villegas, A.; Rossi, L.; Ortolani, S.; Casotto, S.; Barbuy, B.; Bica, E.

2018-05-01

We present orbit analysis for a sample of eight inner bulge globular clusters, together with one reference halo object. We used proper motion values derived from long time base CCD data. Orbits are integrated in both an axisymmetric model and a model including the Galactic bar potential. The inclusion of the bar proved to be essential for the description of the dynamical behaviour of the clusters. We use the Monte Carlo scheme to construct the initial conditions for each cluster, taking into account the uncertainties in the kinematical data and distances. The sample clusters show typically maximum height to the Galactic plane below 1.5 kpc, and develop rather eccentric orbits. Seven of the bulge sample clusters share the orbital properties of the bar/bulge, having perigalactic and apogalatic distances, and maximum vertical excursion from the Galactic plane inside the bar region. NGC 6540 instead shows a completely different orbital behaviour, having a dynamical signature of the thick disc. Both prograde and prograde-retrograde orbits with respect to the direction of the Galactic rotation were revealed, which might characterise a chaotic behaviour.

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

NASA Technical Reports Server (NTRS)

Paik, Sun M.; Yoo, Sung M.; Namkung, Min; Wincheski, Russell A.; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

Vibration-rotation-tunneling dynamics in small water clusters

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

Pugliano, N.

The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics inmore » the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.« less

Pair aligning improved motility of Quincke rollers.

PubMed

Lu, Shi Qing; Zhang, Bing Yue; Zhang, Zhi Chao; Shi, Yan; Zhang, Tian Hui

2018-06-06

Density-dependent speed is studied in a two-dimensional active colloid in which the colloidal particles are propelled by an external electric field via a Quincke rotation. Above the critcal electric field, dense dynamic clusters form spotaneously, in which the particles are highly aligned in velocity and move much faster than isolated units. Detailed observations on pair collision reveal that the alignment of velocity is induced by the long-ranged hydrodynamic interactions and the improvement of speed in the clusters arises from pair aligning in which two particles are closely paired and rotate synchronically. In the aligning state, the short-range in-plane dipole-dipole attraction enhances the rotation torque and gives rises to a larger rolling speed. The pair aligning becomes difficult and unstable at high electric field where the normal dipole-dipole repulsion becomes dominant. As a consequence, the dependence of speed on density becomes weak increasingly upon the increase of the electric field. This result offers an interpretation for the discrepancy between our and previous observations on Quincke rollers.

New Insights into the Formation of the Blue Main Sequence in NGC 1850

NASA Astrophysics Data System (ADS)

Yang, Yujiao; Li, Chengyuan; Deng, Licai; de Grijs, Richard; Milone, Antonino P.

2018-06-01

Recent discoveries of bimodal main sequences (MSs) associated with young clusters (with ages ≲1 Gyr) in the Magellanic Clouds have drawn a lot of attention. One of the prevailing formation scenarios attributes these split MSs to a bimodal distribution in stellar rotation rates, with most stars belonging to a rapidly rotating population. In this scenario, only a small fraction of stars populating a secondary blue sequence are slowly or non-rotating stars. Here, we focus on the blue MS in the young cluster NGC 1850. We compare the cumulative number fraction of the observed blue-MS stars to that of the high-mass-ratio binary systems at different radii. The cumulative distributions of both populations exhibit a clear anti-correlation, characterized by a highly significant Pearson coefficient of ‑0.97. Our observations are consistent with the possibility that blue-MS stars are low-mass-ratio binaries, and therefore their dynamical disruption is still ongoing. High-mass-ratio binaries, on the other hand, are more centrally concentrated.

Effect of rotating electric field on 3D complex (dusty) plasma

NASA Astrophysics Data System (ADS)

Wörner, L.; Nosenko, V.; Ivlev, A. V.; Zhdanov, S. K.; Thomas, H. M.; Morfill, G. E.; Kroll, M.; Schablinski, J.; Block, D.

2011-06-01

The effect of rotating electric field on 3D particle clusters suspended in rf plasma was studied experimentally. Spheroidal clusters were suspended inside a glass box mounted on the lower horizontal rf electrode, with gravity partially balanced by thermophoretic force. Clusters rotated in the horizontal plane, in response to rotating electric field that was created inside the box using conducting coating on its inner surfaces ("rotating wall" technique). Cluster rotation was always in the direction of applied field and had a shear in the vertical direction. The angular speed of rotation was 104-107 times lower than applied frequency. The experiment is compared to a recent theory.

2n-emission from 205Pb* nucleus using clusterization approach at Ebeam˜14-20 MeV

NASA Astrophysics Data System (ADS)

Kaur, Amandeep; Sandhu, Kiran; Sharma, Manoj Kumar

2016-05-01

The dynamics involved in n-induced reaction with 204Pb target is analyzed and the decay of the composite system 205Pb* is governed within the collective clusterization approach of the Dynamical Cluster-decay Model (DCM). The experimental data for 2n-evaporation channel is available for neutron energy range of 14-20 MeV and is addressed by optimizing the only parameter of the model, the neck-length parameter (ΔR). The calculations are done by taking the quadrupole (β2) deformations of the decaying fragments and the calculated 2n-emission cross-sections find nice agreement with available data. An effort is made to study the role of level density parameter in the decay of hot-rotating nucleus, and the mass dependence in level density parameter is exercised for the first time in DCM based calculations. It is to be noted that the effect of deformation, temperature and angular momentum etc. is studied to extract better description of the dynamics involved.

Formation history of open clusters constrained by detailed asteroseismology of red giant stars observed by Kepler

NASA Astrophysics Data System (ADS)

Corsaro, Enrico; Lee, Yueh-Ning; García, Rafael A.; Hennebelle, Patrick; Mathur, Savita; Beck, Paul G.; Mathis, Stephane; Stello, Dennis; Bouvier, Jérôme

2017-10-01

Stars originate by the gravitational collapse of a turbulent molecular cloud of a diffuse medium, and are often observed to form clusters. Stellar clusters therefore play an important role in our understanding of star formation and of the dynamical processes at play. However, investigating the cluster formation is diffcult because the density of the molecular cloud undergoes a change of many orders of magnitude. Hierarchical-step approaches to decompose the problem into different stages are therefore required, as well as reliable assumptions on the initial conditions in the clouds. We report for the first time the use of the full potential of NASA Kepler asteroseismic observations coupled with 3D numerical simulations, to put strong constraints on the early formation stages of open clusters. Thanks to a Bayesian peak bagging analysis of about 50 red giant members of NGC 6791 and NGC 6819, the two most populated open clusters observed in the nominal Kepler mission, we derive a complete set of detailed oscillation mode properties for each star, with thousands of oscillation modes characterized. We therefore show how these asteroseismic properties lead us to a discovery about the rotation history of stellar clusters. Finally, our observational findings will be compared with hydrodynamical simulations for stellar cluster formation to constrain the physical processes of turbulence, rotation, and magnetic fields that are in action during the collapse of the progenitor cloud into a proto-cluster.

Quasi-elastic light scattering of carnauba wax in the liquid phase: dynamics 2.

PubMed

de Almeida, F J; Barbosa, G A

1983-12-01

Quasi-elastic light scattering of carnauba wax in the liquid phase is obtained in a heterodyne setup, and dynamic processes are analyzed through electrophoresis. Nonspherical polar clusters are found, containing a net electrical charge. An applied square-wave electric field induces drift and rotation of these clusters.These effects are dependent on strength and frequency of the applied electric field. At 373 K and in the low frequency limit the local electric field strength is approximately 70 times the strength of the applied one. This enhancement is believed to be caused by collective orientation of the clusters. The electrophoretic mobility is 1.1 X 10(-12) m2/V sec in the high frequency limit and 7.4 X 10(-11) m2/V sec in the low frequency limit. The electric dipole moment is 6.3 X 10(-16) N(-1/2) m(-1/2) where N is the cluster density/cubic meter and the net charge is about one or two elementary charges.

Mass to Luminosity Ratios of Some Clusters in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Sohn, Young-Jong; Chun, Mun-Suk

1990-12-01

Luminosity profiles and dynamical parameters of 12 globular clusters in the Large Magellanic Cloud(SB(s)m) are obtained from the concentric aperture photoelectric photometry of 3 different aged clusters and the collected photometric data of 9 clusters. The total masses of the globular clusters are the calculated using the equation M = Mrt3(4¥Ø2-k2), which is derived from the theoretical rotation curve for the exponential disk(Chun 1987). These masses lie between 0.3 x 104 and 15.8 x 104 M . From the determined total mass and luminosity ratios are also derived. The M/L ratio of a cluster increases with the cluster age; about 0.03 for the youngest clusters(SWB ¥°) and about 0.24 for the oldest clusters(SUB ¥¶). There is a difference in M/L by a factor of 10 between the galactic globular clusters and the old globular clusters in the LCM.

Rotation in young massive star clusters

NASA Astrophysics Data System (ADS)

Mapelli, Michela

2017-05-01

Hydrodynamical simulations of turbulent molecular clouds show that star clusters form from the hierarchical merger of several sub-clumps. We run smoothed-particle hydrodynamics simulations of turbulence-supported molecular clouds with mass ranging from 1700 to 43 000 M⊙. We study the kinematic evolution of the main cluster that forms in each cloud. We find that the parent gas acquires significant rotation, because of large-scale torques during the process of hierarchical assembly. The stellar component of the embedded star cluster inherits the rotation signature from the parent gas. Only star clusters with final mass < few × 100 M⊙ do not show any clear indication of rotation. Our simulated star clusters have high ellipticity (˜0.4-0.5 at t = 4 Myr) and are subvirial (Qvir ≲ 0.4). The signature of rotation is stronger than radial motions due to subvirial collapse. Our results suggest that rotation is common in embedded massive (≳1000 M⊙) star clusters. This might provide a key observational test for the hierarchical assembly scenario.

Collisional model for granular impact dynamics.

PubMed

Clark, Abram H; Petersen, Alec J; Behringer, Robert P

2014-01-01

When an intruder strikes a granular material from above, the grains exert a stopping force which decelerates and stops the intruder. Many previous studies have used a macroscopic force law, including a drag force which is quadratic in velocity, to characterize the decelerating force on the intruder. However, the microscopic origins of the force-law terms are still a subject of debate. Here, drawing from previous experiments with photoelastic particles, we present a model which describes the velocity-squared force in terms of repeated collisions with clusters of grains. From our high speed photoelastic data, we infer that "clusters" correspond to segments of the strong force network that are excited by the advancing intruder. The model predicts a scaling relation for the velocity-squared drag force that accounts for the intruder shape. Additionally, we show that the collisional model predicts an instability to rotations, which depends on the intruder shape. To test this model, we perform a comprehensive experimental study of the dynamics of two-dimensional granular impacts on beds of photoelastic disks, with different profiles for the leading edge of the intruder. We particularly focus on a simple and useful case for testing shape effects by using triangular-nosed intruders. We show that the collisional model effectively captures the dynamics of intruder deceleration and rotation; i.e., these two dynamical effects can be described as two different manifestations of the same grain-scale physical processes.

Asymmetric Top Rotors in Superfluid Para-Hydrogen Nano-Clusters

NASA Astrophysics Data System (ADS)

Zeng, Tao; Li, Hui; Roy, Pierre-Nicholas

2012-06-01

We present the first simulation study of bosonic clusters doped with an asymmetric top molecule. A variation of the path-integral Monte Carlo method is developed to study a para-water (pH_2O) impurity in para-hydrogen (pH_2) clusters. The growth pattern of the doped clusters is similar in nature to that of the pure clusters. The pH_2O molecule appears to rotate freely in the cluster due to its large rotational constants and the lack of adiabatic following. The presence of pH_2O substantially quenches the superfluid response of pH_2 with respect to the space fixed frame. We also study the behaviour of a sulphur dioxide (32S16O_2) dopant in the pH_2 clusters. For such a heavy rotor, the adiabatic following of the pH_2 molecules is established and the superfluid renormalization of the rotational constants is observed. The rotational structure of the SO_2-p(H_2)_N clusters' ro-vibrational spectra is predicted. The connection between the superfluid response respect to the external boundary rotation and the dopant rotation is discussed.

Widom line, dynamical crossover, and percolation transition of supercritical oxygen via molecular dynamics simulations.

PubMed

Raman, Abhinav S; Li, Huiyong; Chiew, Y C

2018-01-07

Supercritical oxygen, a cryogenic fluid, is widely used as an oxidizer in jet propulsion systems and is therefore of paramount importance in gaining physical insights into processes such as transcritical and supercritical vaporization. It is well established in the scientific literature that the supercritical state is not homogeneous but, in fact, can be demarcated into regions with liquid-like and vapor-like properties, separated by the "Widom line." In this study, we identified the Widom line for oxygen, constituted by the loci of the extrema of thermodynamic response functions (heat capacity, volumetric thermal expansion coefficient, and isothermal compressibility) in the supercritical region, via atomistic molecular dynamics simulations. We found that the Widom lines derived from these response functions all coincide near the critical point until about 25 bars and 15-20 K, beyond which the isothermal compressibility line begins to deviate. We also obtained the crossover from liquid-like to vapor-like behavior of the translational diffusion coefficient, shear viscosity, and rotational relaxation time of supercritical oxygen. While the crossover of the translational diffusion coefficient and shear viscosity coincided with the Widom lines, the rotational relaxation time showed a crossover that was largely independent of the Widom line. Further, we characterized the clustering behavior and percolation transition of supercritical oxygen molecules, identified the percolation threshold based on the fractal dimension of the largest cluster and the probability of finding a cluster that spans the system in all three dimensions, and found that the locus of the percolation threshold also coincided with the isothermal compressibility Widom line. It is therefore clear that supercritical oxygen is far more complex than originally perceived and that the Widom line, dynamical crossovers, and percolation transitions serve as useful routes to better our understanding of the supercritical state.

Widom line, dynamical crossover, and percolation transition of supercritical oxygen via molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Raman, Abhinav S.; Li, Huiyong; Chiew, Y. C.

2018-01-01

Supercritical oxygen, a cryogenic fluid, is widely used as an oxidizer in jet propulsion systems and is therefore of paramount importance in gaining physical insights into processes such as transcritical and supercritical vaporization. It is well established in the scientific literature that the supercritical state is not homogeneous but, in fact, can be demarcated into regions with liquid-like and vapor-like properties, separated by the "Widom line." In this study, we identified the Widom line for oxygen, constituted by the loci of the extrema of thermodynamic response functions (heat capacity, volumetric thermal expansion coefficient, and isothermal compressibility) in the supercritical region, via atomistic molecular dynamics simulations. We found that the Widom lines derived from these response functions all coincide near the critical point until about 25 bars and 15-20 K, beyond which the isothermal compressibility line begins to deviate. We also obtained the crossover from liquid-like to vapor-like behavior of the translational diffusion coefficient, shear viscosity, and rotational relaxation time of supercritical oxygen. While the crossover of the translational diffusion coefficient and shear viscosity coincided with the Widom lines, the rotational relaxation time showed a crossover that was largely independent of the Widom line. Further, we characterized the clustering behavior and percolation transition of supercritical oxygen molecules, identified the percolation threshold based on the fractal dimension of the largest cluster and the probability of finding a cluster that spans the system in all three dimensions, and found that the locus of the percolation threshold also coincided with the isothermal compressibility Widom line. It is therefore clear that supercritical oxygen is far more complex than originally perceived and that the Widom line, dynamical crossovers, and percolation transitions serve as useful routes to better our understanding of the supercritical state.

Isophote Shapes Of Early-Type Galaxies In Massive Clusters At Z 1 And 0

NASA Astrophysics Data System (ADS)

Mitsuda, Kazuma; Doi, Mamoru; Morokuma, Tomoki; Suzuki, Nao; Yasuda, Naoki; Perlmutter, Saul; Aldering, Greg; Meyers, Joshua

2017-06-01

Dynamics of early-type galaxies (ETGs), whether they are supported by rotation or dispersion, is a clue to understand their assembly history. We compare the isophote shape parameter a4 between z ˜ 1 and 0 as a proxy for dynamics to investigate the epoch at which the dynamical properties are established. We create cluster ETG samples with stellar masses of log(M✽/M⦿) ≥ 10.5 with spectroscopic redshifts. We have 130 ETGs from the Hubble Space Telescope Cluster Supernova Survey for z ˜ 1 and 355 ETGs from the Sloan Digital Sky Survey for z ˜ 0. We find similar dependence of the a4 parameter on the mass at z ˜ 1 and 0; the main population changes from disky (a4 > 0) to boxy (a4 ≤ 0) at a critical mass of log(M✽/M⦿) 11.5 with the massive end dominated by boxy ETGs. The disky ETG fraction is consistent between these redshifts. Although uncertainties are large, the results suggest that the isophote shapes and probably dynamical properties of cluster ETGs are already in place at z > 1 and do not significantly evolve in z < 1, despite significant size evolution. The constant disky fraction imply that the processes responsible for the size evolution is not enough violent to convert the dynamical properties of ETGs.

Calculation of the wetting parameter from a cluster model in the framework of nanothermodynamics.

PubMed

García-Morales, V; Cervera, J; Pellicer, J

2003-06-01

The critical wetting parameter omega(c) determines the strength of interfacial fluctuations in critical wetting transitions. In this Brief Report, we calculate omega(c) from considerations on critical liquid clusters inside a vapor phase. The starting point is a cluster model developed by Hill and Chamberlin in the framework of nanothermodynamics [Proc. Natl. Acad. Sci. USA 95, 12779 (1998)]. Our calculations yield results for omega(c) between 0.52 and 1.00, depending on the degrees of freedom considered. The findings are in agreement with previous experimental results and give an idea of the universal dynamical behavior of the clusters when approaching criticality. We suggest that this behavior is a combination of translation and vortex rotational motion (omega(c)=0.84).

Dynamical Effects of the Scale Invariance of the Empty Space: The Fall of Dark Matter?

NASA Astrophysics Data System (ADS)

Maeder, Andre

2017-11-01

The hypothesis of the scale invariance of the macroscopic empty space, which intervenes through the cosmological constant, has led to new cosmological models. They show an accelerated cosmic expansion after the initial stages and satisfy several major cosmological tests. No unknown particles are needed. Developing the weak-field approximation, we find that the here-derived equation of motion corresponding to Newton’s equation also contains a small outward acceleration term. Its order of magnitude is about \\sqrt{{\\varrho }{{c}}/\\varrho } × Newton’s gravity (ϱ being the mean density of the system and {\\varrho }{{c}} the usual critical density). The new term is thus particularly significant for very low density systems. A modified virial theorem is derived and applied to clusters of galaxies. For the Coma Cluster and Abell 2029, the dynamical masses are about a factor of 5-10 smaller than in the standard case. This tends to leave no room for dark matter in these clusters. Then, the two-body problem is studied and an equation corresponding to the Binet equation is obtained. It implies some secular variations of the orbital parameters. The results are applied to the rotation curve of the outer layers of the Milky Way. Starting backward from the present rotation curve, we calculate the past evolution of the Galactic rotation and find that, in the early stages, it was steep and Keplerian. Thus, the flat rotation curves of galaxies appear as an age effect, a result consistent with recent observations of distant galaxies by Genzel et al. and Lang et al. Finally, in an appendix we also study the long-standing problem of the increase with age of the vertical velocity dispersion in the Galaxy. The observed increase appears to result from the new small acceleration term in the equation of the harmonic oscillator describing stellar motions around the Galactic plane. Thus, we tend to conclude that neither dark energy nor dark matter seems to be needed in the proposed theoretical context.

Activity-induced clustering in model dumbbell swimmers: the role of hydrodynamic interactions.

PubMed

Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E

2014-08-01

Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

Activity-induced clustering in model dumbbell swimmers: The role of hydrodynamic interactions

NASA Astrophysics Data System (ADS)

Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E.

2014-08-01

Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

Plasmaspheric Plumes Observed by the CLUSTER and IMAGE Spacecraft

NASA Technical Reports Server (NTRS)

Fung, S. F.; Benson, R. F.; Garcia, L. N.; Adrian, M. L.; Sandel, B.; Goldstein, M. L.

2008-01-01

Global IMAGE/EUV observations have revealed complex changes in plasmaspheric structures as the plasmasphere responds to geomagnetic activity while remaining under varying degrees of influence by co-rotation, depending on the radial distance. The complex plasmaspheric dynamics, with different scales of variability, is clearly far from being well understood. There is now renewed interest in the plasmasphere due to its apparent connections with the development of the ring current and radiation belt, and loss of ionospheric plasmas. Early in the mission, the Cluster spacecraft only crossed the plasmapause (L - 4) occasionally and made measurements of the outer plasmasphere and plasmaspheric drainage plumes. The study by Darrouzet et al. [2006] provided detailed analyses of in situ Cluster observations and IMAGE EUV observations of three plasmaspheric plumes detected in April-June, 2002. Within the next couple of years, Cluster orbit will change, causing perigee to migrate to lower altitudes, and thus providing excellent opportunities to obtain more detailed measurements of the plasmasphere. In this paper, we report our analyses of the earlier Cluster-IMAGE events by incorporating the different perspectives provided by the IMAGE Radio Plasma Imager (RPI) observations. We will discuss our new understanding of the structure and dynamics of the Cluster-IMAGE events.

The Bar Mode Instability in Deleptonizing Fizzlers

NASA Astrophysics Data System (ADS)

Imamura, James N.; Durisen, R. H.

2009-01-01

Core collapse in massive rotating nonmagnetic stars may hangup before neutron star densities are reached when rotationally supported or partially rotation supported, hot, lepton-rich objects known as fizzlers form. For typical massive core masses, fizzlers may form if the core has angular momentum J > 1049 g cm2 s-1. Newly formed fizzlers are stable to secular and dynamic nonaxisymmetric instabilities because of the high electron fraction per baryon, Ye > 0.3, and high entropy per baryon, Sn = 1-2 k of fizzler material, and the long-term evolution of a fizzler to neutron star density is driven by deleptonization and cooling of the lepton-rich fizzler material. Both processes lead to pressure loss which causes the fizzler to contract and spin-up. All deleptonizing fizzlers eventually become subject to gravito-rotation-driven nonaxisymmetric instabilities before they reach neutron star density. We study the development of barlike instabilities in deleptonizing fizzlers. We find that vigorous growth in barlike modes occurs only after the bar mode dynamic instability threshold is passed. Because barlike modes break axial symmetry, a burst of gravitational wave (GW) radiation is produced as barlike modes develop. For typical fizzler properties, the GW radiation will have frequency 300-600 Hz with strains of 10-23-10-23, for fizzlers at distances of 15 Mpc ( Virgo cluster of galaxies). Fizzlers in the Virgo cluster would be easily detectable by the gravitational wave obervatory LIGO if the barlike mode persisted for several hundred cycles. We find that barlike modes in fizzlers persist for at least 15-30 cycles in our simulations, depending on the deleptonization rate.

The Effects of Rotation on the Main-sequence Turnoff of Intermediate-age Massive Star Clusters

NASA Astrophysics Data System (ADS)

Yang, Wuming; Bi, Shaolan; Meng, Xiangcun; Liu, Zhie

2013-10-01

The double or extended main-sequence turnoffs (MSTOs) in the color-magnitude diagram (CMD) of intermediate-age massive star clusters in the Large Magellanic Cloud are generally interpreted as age spreads of a few hundred Myr. However, such age spreads do not exist in younger clusters (i.e., 40-300 Myr), which challenges this interpretation. The effects of rotation on the MSTOs of star clusters have been studied in previous works, but the results obtained are conflicting. Compared with previous works, we consider the effects of rotation on the main-sequence lifetime of stars. Our calculations show that rotating models have a fainter and redder MSTO with respect to non-rotating counterparts with ages between about 0.8 and 2.2 Gyr, but have a brighter and bluer MSTO when age is larger than 2.4 Gyr. The spread of the MSTO caused by a typical rotation rate is equivalent to the effect of an age spread of about 200 Myr. Rotation could lead to the double or extended MSTOs in the CMD of the star clusters with ages between about 0.8 and 2.2 Gyr. However, the extension is not significant, and it does not even exist in younger clusters. If the efficiency of the mixing were high enough, the effects of the mixing would counteract the effect of the centrifugal support in the late stage of evolution, and the rotationally induced extension would disappear in the old intermediate-age star clusters, but younger clusters would have an extended MSTO. Moreover, the effects of rotation might aid in understanding the formation of some "multiple populations" in globular clusters.

Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory.

PubMed

Zuniga-Gutierrez, Bernardo; Camacho-Gonzalez, Monica; Bendana-Castillo, Alfonso; Simon-Bastida, Patricia; Calaminici, Patrizia; Köster, Andreas M

2015-09-14

The computation of the spin-rotation tensor within the framework of auxiliary density functional theory (ADFT) in combination with the gauge including atomic orbital (GIAO) scheme, to treat the gauge origin problem, is presented. For the spin-rotation tensor, the calculation of the magnetic shielding tensor represents the most demanding computational task. Employing the ADFT-GIAO methodology, the central processing unit time for the magnetic shielding tensor calculation can be dramatically reduced. In this work, the quality of spin-rotation constants obtained with the ADFT-GIAO methodology is compared with available experimental data as well as with other theoretical results at the Hartree-Fock and coupled-cluster level of theory. It is found that the agreement between the ADFT-GIAO results and the experiment is good and very similar to the ones obtained by the coupled-cluster single-doubles-perturbative triples-GIAO methodology. With the improved computational performance achieved, the computation of the spin-rotation tensors of large systems or along Born-Oppenheimer molecular dynamics trajectories becomes feasible in reasonable times. Three models of carbon fullerenes containing hundreds of atoms and thousands of basis functions are used for benchmarking the performance. Furthermore, a theoretical study of temperature effects on the structure and spin-rotation tensor of the H(12)C-(12)CH-DF complex is presented. Here, the temperature dependency of the spin-rotation tensor of the fluorine nucleus can be used to identify experimentally the so far unknown bent isomer of this complex. To the best of our knowledge this is the first time that temperature effects on the spin-rotation tensor are investigated.

A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2-HF

NASA Astrophysics Data System (ADS)

Yang, Dongzheng; Huang, Jing; Zuo, Junxiang; Hu, Xixi; Xie, Daiqian

2018-05-01

A full-dimensional ab initio potential energy surface for the H2-HF van der Waals complex was constructed by employing the coupled-cluster singles and doubles with noniterative inclusion of connected triples with augmented correlation-consistent polarised valence quadruple-zeta basis set plus bond functions. Using the improved coupled-states approximation including the nearest neighbor Coriolis couplings, we calculated the state-to-state scattering dynamics for pure rotational and ro-vibrational energy transfer processes. For pure rotational energy transfer, our results showed a different dynamical behavior for para-H2 and ortho-H2 in collision with hydrogen fluoride (HF), which is consistent with the previous study. Interestingly, some strong resonant peaks were presented in the cross sections for ro-vibrational energy transfer. In addition, the calculated vibrational-resolved rate constant is in agreement with the experimental results reported by Bott et al. These dynamics data can be further applied to the numerical simulation of HF chemical lasers.

On the multi-scale description of micro-structured fluids composed of aggregating rods

NASA Astrophysics Data System (ADS)

Perez, Marta; Scheuer, Adrien; Abisset-Chavanne, Emmanuelle; Ammar, Amine; Chinesta, Francisco; Keunings, Roland

2018-05-01

When addressing the flow of concentrated suspensions composed of rods, dense clusters are observed. Thus, the adequate modelling and simulation of such a flow requires addressing the kinematics of these dense clusters and their impact on the flow in which they are immersed. In a former work, we addressed a first modelling framework of these clusters, assumed so dense that they were considered rigid and their kinematics (flow-induced rotation) were totally defined by a symmetric tensor c with unit trace representing the cluster conformation. Then, the rigid nature of the clusters was relaxed, assuming them deformable, and a model giving the evolution of both the cluster shape and its microstructural orientation descriptor (the so-called shape and orientation tensors) was proposed. This paper compares the predictions coming from those models with finer-scale discrete simulations inspired from molecular dynamics modelling.

STELLAR KINEMATICS AND STRUCTURAL PROPERTIES OF VIRGO CLUSTER DWARF EARLY-TYPE GALAXIES FROM THE SMAKCED PROJECT. III. ANGULAR MOMENTUM AND CONSTRAINTS ON FORMATION SCENARIOS

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

Toloba, E.; Guhathakurta, P.; Boselli, A.

2015-02-01

We analyze the stellar kinematics of 39 dwarf early-type galaxies (dEs) in the Virgo Cluster. Based on the specific stellar angular momentum λ{sub Re} and the ellipticity, we find 11 slow rotators and 28 fast rotators. The fast rotators in the outer parts of the Virgo Cluster rotate significantly faster than fast rotators in the inner parts of the cluster. Moreover, 10 out of the 11 slow rotators are located in the inner 3° (D < 1 Mpc) of the cluster. The fast rotators contain subtle disk-like structures that are visible in high-pass filtered optical images, while the slow rotatorsmore » do not exhibit these structures. In addition, two of the dEs have kinematically decoupled cores and four more have emission partially filling in the Balmer absorption lines. These properties suggest that Virgo Cluster dEs may have originated from late-type star-forming galaxies that were transformed by the environment after their infall into the cluster. The correlation between λ{sub Re} and the clustercentric distance can be explained by a scenario where low luminosity star-forming galaxies fall into the cluster, their gas is rapidly removed by ram-pressure stripping, although some of it can be retained in their core, their star formation is quenched but their stellar kinematics are preserved. After a long time in the cluster and several passes through its center, the galaxies are heated up and transformed into slow rotating dEs.« less

Asteroid clusters similar to asteroid pairs

NASA Astrophysics Data System (ADS)

Pravec, P.; Fatka, P.; Vokrouhlický, D.; Scheeres, D. J.; Kušnirák, P.; Hornoch, K.; Galád, A.; Vraštil, J.; Pray, D. P.; Krugly, Yu. N.; Gaftonyuk, N. M.; Inasaridze, R. Ya.; Ayvazian, V. R.; Kvaratskhelia, O. I.; Zhuzhunadze, V. T.; Husárik, M.; Cooney, W. R.; Gross, J.; Terrell, D.; Világi, J.; Kornoš, L.; Gajdoš, Š.; Burkhonov, O.; Ehgamberdiev, Sh. A.; Donchev, Z.; Borisov, G.; Bonev, T.; Rumyantsev, V. V.; Molotov, I. E.

2018-04-01

We studied the membership, size ratio and rotational properties of 13 asteroid clusters consisting of between 3 and 19 known members that are on similar heliocentric orbits. By backward integrations of their orbits, we confirmed their cluster membership and estimated times elapsed since separation of the secondaries (the smaller cluster members) from the primary (i.e., cluster age) that are between 105 and a few 106 years. We ran photometric observations for all the cluster primaries and a sample of secondaries and we derived their accurate absolute magnitudes and rotation periods. We found that 11 of the 13 clusters follow the same trend of primary rotation period vs mass ratio as asteroid pairs that was revealed by Pravec et al. (2010). We generalized the model of the post-fission system for asteroid pairs by Pravec et al. (2010) to a system of N components formed by rotational fission and we found excellent agreement between the data for the 11 asteroid clusters and the prediction from the theory of their formation by rotational fission. The two exceptions are the high-mass ratio (q > 0.7) clusters of (18777) Hobson and (22280) Mandragora for which a different formation mechanism is needed. Two candidate mechanisms for formation of more than one secondary by rotational fission were published: the secondary fission process proposed by Jacobson and Scheeres (2011) and a cratering collision event onto a nearly critically rotating primary proposed by Vokrouhlický et al. (2017). It will have to be revealed from future studies which of the clusters were formed by one or the other process. To that point, we found certain further interesting properties and features of the asteroid clusters that place constraints on the theories of their formation, among them the most intriguing being the possibility of a cascade disruption for some of the clusters.

Evaluating gyrochronology on the zero-age-main-sequence: rotation periods in the southern open cluster Blanco 1 from the Kelt-South survey

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

Cargile, P. A.; Pepper, J.; Siverd, R.

2014-02-10

We report periods for 33 members of Blanco 1 as measured from Kilodegree Extremely Little Telescope-South light curves, the first reported rotation periods for this benchmark zero-age-main-sequence open cluster. The distribution of these stars spans from late-A or early-F dwarfs to mid-K with periods ranging from less than a day to ∼8 days. The rotation period distribution has a morphology similar to the coeval Pleiades cluster, suggesting the universal nature of stellar rotation distributions. Employing two different gyrochronology methods, we find an age of 146{sub −14}{sup +13} Myr for the cluster. Using the same techniques, we infer an age ofmore » 134{sub −10}{sup +9} Myr for the Pleiades measured from existing literature rotation periods. These rotation-derived ages agree with independently determined cluster ages based on the lithium depletion boundary technique. Additionally, we evaluate different gyrochronology models and quantify levels of agreement between the models and the Blanco 1/Pleiades rotation period distributions, including incorporating the rotation distributions of clusters at ages up to 1.1 Gyr. We find the Skumanich-like spin-down rate sufficiently describes the rotation evolution of stars hotter than the Sun; however, we find cooler stars rotating faster than predicted by a Skumanich law, suggesting a mass dependence in the efficiency of stellar angular momentum loss rate. Finally, we compare the Blanco 1 and Pleiades rotation period distributions to available nonlinear angular momentum evolution models. We find they require a significant mass dependence on the initial rotation rate of solar-type stars to reproduce the observed range of rotation periods at a given stellar mass and are furthermore unable to predict the observed over-density of stars along the upper envelope of the clusters' rotation distributions.« less

Rotation curves of spiral galaxies in clusters

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

Whitmore, B.C.

1990-06-01

Recent observations of rotation curves of spiral galaxies in clusters made by Rubin et al. (1988), Whitmore et al. (1988) and Forbes and Whitmore (1988) are analyzed. It is found that spiral galaxies in the inner region of clusters appear to have falling rotation curves and M/L gradients which are flatter than for galaxies in the outer regions of clusters. Problems encountered in attempts to construct mass models for cluster galaxies are briefly discussed. 18 refs.

2n-emission from {sup 205}Pb* nucleus using clusterization approach at E{sub beam}∼14-20 MeV

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

Kaur, Amandeep, E-mail: adeepkaur89@gmail.com; Sandhu, Kiran; Sharma, Manoj Kumar, E-mail: msharma@thapar.edu

2016-05-06

The dynamics involved in n-induced reaction with {sup 204}Pb target is analyzed and the decay of the composite system {sup 205}Pb* is governed within the collective clusterization approach of the Dynamical Cluster-decay Model (DCM). The experimental data for 2n-evaporation channel is available for neutron energy range of 14-20 MeV and is addressed by optimizing the only parameter of the model, the neck-length parameter (ΔR). The calculations are done by taking the quadrupole (β{sub 2}) deformations of the decaying fragments and the calculated 2n-emission cross-sections find nice agreement with available data. An effort is made to study the role of levelmore » density parameter in the decay of hot-rotating nucleus, and the mass dependence in level density parameter is exercised for the first time in DCM based calculations. It is to be noted that the effect of deformation, temperature and angular momentum etc. is studied to extract better description of the dynamics involved.« less

Molecular rotation and dynamics in superfluid helium-4 nanodroplets

NASA Astrophysics Data System (ADS)

Callegari, Carlo

2000-11-01

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

Molecular rotation and dynamics in superfluid ^4He nanodroplets

NASA Astrophysics Data System (ADS)

Callegari, Carlo

2001-05-01

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

X-ray Source Populations in Old Open Clusters - Collinder 261

NASA Astrophysics Data System (ADS)

Vats, Smriti

2014-11-01

We are carrying out an X-ray survey of old open clusters (OCs) with the Chandra X-ray Observatory. Single old stars emit very faint X-rays, making X-rays produced by mass transfer in CVs, or by rapid rotation of the stars in tidally-locked, detached binaries detectable, without contamination from single stars. By comparing properties of interacting binaries in different environments, we aim to study binary evolution, and how dynamical encounters with other cluster members affect it. Collinder (Cr) 261 is an old OC(~7Gyr), with one of the richest populations inferred, of close binary populations and blue stragglers of all OCs. We will present the first results, detailing the X-ray population of Cr 261, in conjugation with other OCs, and in comparison with populations in globular clusters.

Far-infrared laser vibration-rotation-tunneling spectroscopy of water clusters in the librational band region of liquid water

NASA Astrophysics Data System (ADS)

Keutsch, Frank N.; Fellers, Ray S.; Viant, Mark R.; Saykally, Richard J.

2001-03-01

We report the first high resolution spectrum of a librational vibration for a water cluster. Four parallel bands of (H2O)3 were measured between 510 and 525 cm-1 using diode laser vibration-rotation-tunneling (VRT) spectroscopy. The bands lie in the "librational band" region of liquid water and are assigned to the nondegenerate out of plane librational vibration. The observation of at least three distinct bands within 8 cm-1 originating in the vibrational ground state is explained by a dramatically increased splitting of the rovibrational levels relative to the ground state by bifurcation tunneling and is indicative of a greatly reduced barrier height in the excited state. This tunneling motion is of special significance, as it is the lowest energy pathway for breaking and reforming of hydrogen bonds, a salient aspect of liquid water dynamics.

ORBITING CLUSTERS IN ATOMIC NUCLEI

PubMed Central

Pauling, Linus

1969-01-01

As an alternative to their description as vibrational levels, the low excited states of even-even nuclei can be described as rotational states of a helion, dineutron, diproton, or other cluster about the rest of the nucleus, leading to reasonable values of the average distance between centers of the clusters. Some states involve rotational excitation of two or more helions or other clusters. The nature of the rotating clusters is determined by the relation of the neutron and proton numbers to the magic numbers. PMID:16591799

Internal kinematics and dynamics of galaxies; Proceedings of the Symposium, Universitede Franche-Comte, Besancon, France, August 9-13, 1982

NASA Astrophysics Data System (ADS)

Athanassoula, E.

Various aspects of the internal kinematics and dynamics of galaxies are considered. The kinematics of the gas and the underlying mass distribution are discussed, including the systematics of H II rotation curves, H I velocity fields and rotation curves, the distribution of molecular clouds in spiral galaxies, gas at large radii, the implications for galactic mass models of vertical motion and the thickness of H I disks, and mass distribution and dark halos. The theory of spiral structure is addressed, along with conflicts and directions in spiral structure studies. Theories of warps are covered. Barred galaxies are treated, including their morphology, stellar kinematics, and dynamics, the stability of their disks, theoretical studies of their gas flows, and the formation of rings and lenses. Spheroidal systems are considered, including dynamics of early type galaxies, models of ellipticals and bulges, and interstellar matter in elliptical galaxies. Simulations and observational evidence for mergers are addressed, and the formation of galaxies and dynamics of globular cluster systems are examined. For individual items see A83-49202 to A83-49267

Distributions of methyl group rotational barriers in polycrystalline organic solids

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

Beckmann, Peter A., E-mail: pbeckman@brynmawr.edu, E-mail: wangxianlong@uestc.edu.cn; Conn, Kathleen G.; Division of Education and Human Services, Neumann University, One Neumann Drive, Aston, Pennsylvania 19014-1298

We bring together solid state {sup 1}H spin-lattice relaxation rate measurements, scanning electron microscopy, single crystal X-ray diffraction, and electronic structure calculations for two methyl substituted organic compounds to investigate methyl group (CH{sub 3}) rotational dynamics in the solid state. Methyl group rotational barrier heights are computed using electronic structure calculations, both in isolated molecules and in molecular clusters mimicking a perfect single crystal environment. The calculations are performed on suitable clusters built from the X-ray diffraction studies. These calculations allow for an estimate of the intramolecular and the intermolecular contributions to the barrier heights. The {sup 1}H relaxation measurements,more » on the other hand, are performed with polycrystalline samples which have been investigated with scanning electron microscopy. The {sup 1}H relaxation measurements are best fitted with a distribution of activation energies for methyl group rotation and we propose, based on the scanning electron microscopy images, that this distribution arises from molecules near crystallite surfaces or near other crystal imperfections (vacancies, dislocations, etc.). An activation energy characterizing this distribution is compared with a barrier height determined from the electronic structure calculations and a consistent model for methyl group rotation is developed. The compounds are 1,6-dimethylphenanthrene and 1,8-dimethylphenanthrene and the methyl group barriers being discussed and compared are in the 2–12 kJ mol{sup −1} range.« less

The Evolution of Rotation and Activity in Young Open Clusters: the Zero-Age Main Sequence.

NASA Astrophysics Data System (ADS)

Patten, Brian Michael

1995-01-01

I have undertaken a program of ground- and space -based observations to measure photometric rotation periods and X-ray luminosities for late-type stars in the young open clusters IC 2391 and IC 2602. With cluster ages of ~30 Myr, IC 2391 and IC 2602 are ideal sites in which to observe conditions at the ZAMS since the solar-type stars in these clusters have not been on the main sequence long enough to undergo significant magnetic braking. The ROSAT survey of IC 2391 revealed 80 X-ray sources, 44 of which were found to be associated with stars which are now classified as new cluster members. Among the solar-type stars in both IC 2391 and IC 2602, I find a factor of ~25 spread in the distribution of rotation periods, which range from 0.21 to 4.86 day. I also find a factor of ~10-20 spread in the range of LX about a median LX value of ~10^{30 } erg s^{-1} for both clusters. These results show conclusively that stars arrive on the ZAMS with a wide range of rotation rates and coronal activity levels. When compared to data from older clusters, such as the Pleiades and the Hyades, there is an overall decline observed in both the rotation rates and median X-ray luminosity of cluster members with increasing age, however, while the spread in the range of rotation rates decreases to a small value, the spread in the range of LX values as a fraction of the median is observed to increase with age. This behavior is best explained through a dependence of LX on P rot which is weak in the young clusters and strong in the older clusters. The Rossby diagram shows there is a tight correlation between L X/Lbol and the Rossby number, Prot divided by the convective turnover time. Young, rapidly rotating, main sequence stars lie along a plateau of magnetic saturation, where LX has a weak dependence on rotation period, while older, more slowly rotating stars lie in a region on the Rossby diagram where LX has a strong dependence on rotation period.

Fourfold Clusters of Rovibrational Energies in H2Te Studied With an Ab Initio Potential Energy Function

NASA Technical Reports Server (NTRS)

Jensen, Per; Li, Yan; Hirsch, Gerhard; Buenker, Robert J.; Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

We report an ab initio investigation of the cluster effect (i.e., the formation of nearly degenerate, four member groups of rotation-vibration energy levels at higher J and K(sub a). values) in the H2Te molecule. The potential energy function has been calculated ab initio at a total of 334 molecular geometries by means of the CCSD(T) method where the (1s-4f) core electrons of Te were described by an effective core potential. The values of the potential energy function obtained cover the region up to around 10,000/cm above the equilibrium energy. On the basis of the ab initio potential, the rotation-vibration energy spectra of H2Te-130 and its deuterated isotopomers have been calculated with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics) Hamiltonian and computer program. In particular, we have calculated the rotational energy manifolds for J less than or = 40 in the vibrational ground state, the upsilon(sub 2) state, the "first triad" (the upsilon(sub l)/upsilon(sub 3)/2upsilon(sub 2) interacting vibrational states), and the "second triad" (the upsilon(sub 1) + upsilon(sub 2/upsilon(sub 2) + upsilon(sub 3)/3upsilon(sub 2) states) of H2Te-130. We find that the cluster formation in H2Te is very similar to those of of H2Se and H2S, which we have studied previously. However, contrary to semiclassical predictions, we do not determine any significant displacement of the clusters towards lower J values relative to H2Se. Hence the experimental observation of the cluster states in H2Te will be at least as difficult as in H2Se.

Globular cluster chemistry in fast-rotating dwarf stars belonging to intermediate-age open clusters

NASA Astrophysics Data System (ADS)

Pancino, Elena

2018-06-01

The peculiar chemistry observed in multiple populations of Galactic globular clusters is not generally found in other systems such as dwarf galaxies and open clusters, and no model can currently fully explain it. Exploring the boundaries of the multiple-population phenomenon and the variation of its extent in the space of cluster mass, age, metallicity, and compactness has proven to be a fruitful line of investigation. In the framework of a larger project to search for multiple populations in open clusters that is based on literature and survey data, I found peculiar chemical abundance patterns in a sample of intermediate-age open clusters with publicly available data. More specifically, fast-rotating dwarf stars (v sin i ≥ 50 km s-1) that belong to four clusters (Pleiades, Ursa Major, Come Berenices, and Hyades) display a bimodality in either [Na/Fe] or [O/Fe], or both, with the low-Na and high-O peak more populated than the high-Na and low-O peak. Additionally, two clusters show a Na-O anti-correlation in the fast-rotating stars, and one cluster shows a large [Mg/Fe] variation in stars with high [Na/Fe], reaching the extreme Mg depletion observed in NGC 2808. Even considering that the sample sizes are small, these patterns call for attention in the light of a possible connection with the multiple population phenomenon of globular clusters. The specific chemistry observed in these fast-rotating dwarf stars is thought to be produced by a complex interplay of different diffusion and mixing mechanisms, such as rotational mixing and mass loss, which in turn are influenced by metallicity, binarity, mass, age, variability, and so on. However, with the sample in hand, it was not possible to identify which stellar parameters cause the observed Na and O bimodality and Na-O anti-correlation. This suggests that other stellar properties might be important in addition to stellar rotation. Stellar binarity might influence the rotational properties and enhance rotational mixing and mass loss of stars in a dense environment like that of clusters (especially globulars). In conclusion, rotation and binarity appear as a promising research avenue for better understanding multiple stellar populations in globular clusters; this is certainly worth exploring further.

High energy conformers of M(+)(APE)(H2O)(0-1)Ar(0-1) clusters revealed by combined IR-PD and DFT-MD anharmonic vibrational spectroscopy.

PubMed

Brites, V; Nicely, A L; Sieffert, N; Gaigeot, M-P; Lisy, J M

2014-07-14

IR-PD vibrational spectroscopy and DFT-based molecular dynamics simulations are combined in order to unravel the structures of M(+)(APE)(H2O)0-1 ionic clusters (M = Na, K), where APE (2-amino-1-phenyl ethanol) is commonly used as an analogue for the noradrenaline neurotransmitter. The strength of the synergy between experiments and simulations presented here is that DFT-MD provides anharmonic vibrational spectra that unambiguously help assign the ionic clusters structures. Depending on the interacting cation, we have found that the lowest energy conformers of K(+)(APE)(H2O)0-1 clusters are formed, while the lowest energy conformers of Na(+)(APE)(H2O)0-1 clusters can only be observed through water loss channel (i.e. without argon tagged to the clusters). Trapping of higher energy conformers is observed when the argon loss channel is recorded in the experiment. This has been rationalized by transition state energies. The dynamical anharmonic vibrational spectra unambiguously provide the prominent OH stretch due to the OH···NH2 H-bond, within 10 cm(-1) of the experiment, hence reproducing the 240-300 cm(-1) red-shift (depending on the interacting cation) from bare neutral APE. When this H-bond is not present, the dynamical anharmonic spectra provide the water O-H stretches as well as the rotational motion of the water molecule at finite temperature, as observed in the experiment.

Dynamic Response of Ammonia-Oxidizers to Four Fertilization Regimes across a Wheat-Rice Rotation System

PubMed Central

Wang, Jichen; Ni, Lei; Song, Yang; Rhodes, Geoff; Li, Jing; Huang, Qiwei; Shen, Qirong

2017-01-01

Ammonia oxidation by microorganisms is a rate-limiting step of the nitrification process and determines the efficiency of fertilizer utilized by crops. Little is known about the dynamic response of ammonia-oxidizers to different fertilization regimes in a wheat-rice rotation system. Here, we examined ammonia-oxidizing bacteria (AOB) and archaea (AOA) communities across eight representative stages of wheat and rice growth and under four fertilization regimes: no nitrogen fertilization (NNF), chemical fertilization (CF), organic-inorganic mixed fertilizer (OIMF) and organic fertilization (OF). The abundance and composition of ammonia oxidizers were analyzed using quantitative PCR (qPCR) and terminal restriction fragment length polymorphism (T-RFLP) of their amoA genes. Results showed that fertilization but not plant growth stages was the best predictor of soil AOB community abundance and composition. Soils fertilized with more urea-N had higher AOB abundance, while organic-N input showed little effect on AOB abundance. 109 bp T-RF (Nitrosospira Cluster 3b) and 280 bp T-RF (Nitrosospira Cluster 3c) dominated the AOB communities with opposing responses to fertilization regimes. Although the abundance and composition of the AOA community was significantly impacted by fertilization and plant growth stage, it differed from the AOB community in that there was no particular trend. In addition, across the whole wheat-rice rotation stages, results of multiple stepwise linear regression revealed that AOB played a more important role in ammonia oxidizing process than AOA. This study provided insight into the dynamic effects of fertilization strategies on the abundance and composition of ammonia-oxidizers communities, and also offered insights into the potential of managing nitrogen for sustainable agricultural productivity with respect to soil ammonia-oxidizers. PMID:28446904

Spin-symmetry conversion and internal rotation in high J molecular systems

NASA Astrophysics Data System (ADS)

Mitchell, Justin; Harter, William

2006-05-01

Dynamics and spectra of molecules with internal rotation or rovibrational coupling is approximately modeled by rigid or semi-rigid rotors with attached gyroscopes. Using Rotational Energy (RE)^1 surfaces, high resolution molecular spectra for high angular momentum show two distinct but related phenomena; spin-symmetry conversion and internal rotation. For both cases the high total angular momentum allows for transitions that would otherwise be forbidden. Molecular body-frame J-localization effects associated with tight energy level-clusters dominate the rovibronic spectra of high symmetry molecules, particularly spherical tops at J>10. ^2 The effects include large and widespread spin-symmetry mixing contrary to conventional wisdom^3 about weak nuclear moments. Such effects are discussed showing how RE surface plots may predict them even at low J. Classical dynamics of axially constrained rotors are approximated by intersecting rotational-energy-surfaces (RES) that have (J-S).B.(J-S) forms in the limit of constraints that do no work. Semi-classical eigensolutions are compared to those found by direct diagonalization. ^1 W.G Hater, in Handbook of Atomic, Molecular and Optical Physics, edited by G.W.F Drake (Springer, Germany 2006) ^2 W. G. Harter, Phys. Rev. A24,192-262(1981). ^3 G. Herzberg, Infrared and Raman Spectra (VanNostrand 1945) pp. 458,463.

Novel readout method for molecular diagnostic assays based on optical measurements of magnetic nanobead dynamics.

PubMed

Donolato, Marco; Antunes, Paula; Bejhed, Rebecca S; Zardán Gómez de la Torre, Teresa; Østerberg, Frederik W; Strömberg, Mattias; Nilsson, Mats; Strømme, Maria; Svedlindh, Peter; Hansen, Mikkel F; Vavassori, Paolo

2015-02-03

We demonstrate detection of DNA coils formed from a Vibrio cholerae DNA target at picomolar concentrations using a novel optomagnetic approach exploiting the dynamic behavior and optical anisotropy of magnetic nanobead (MNB) assemblies. We establish that the complex second harmonic optical transmission spectra of MNB suspensions measured upon application of a weak uniaxial AC magnetic field correlate well with the rotation dynamics of the individual MNBs. Adding a target analyte to the solution leads to the formation of permanent MNB clusters, namely, to the suppression of the dynamic MNB behavior. We prove that the optical transmission spectra are highly sensitive to the formation of permanent MNB clusters and, thereby to the target analyte concentration. As a specific clinically relevant diagnostic case, we detect DNA coils formed via padlock probe recognition and isothermal rolling circle amplification and benchmark against a commercial equipment. The results demonstrate the fast optomagnetic readout of rolling circle products from bacterial DNA utilizing the dynamic properties of MNBs in a miniaturized and low-cost platform requiring only a transparent window in the chip.

The dynamical origin of multiple populations in intermediate-age clusters in the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Hong, Jongsuk; de Grijs, Richard; Askar, Abbas; Berczik, Peter; Li, Chengyuan; Wang, Long; Deng, Licai; Kouwenhoven, M. B. N.; Giersz, Mirek; Spurzem, Rainer

2017-11-01

Numerical simulations were carried out to study the origin of multiple stellar populations in the intermediate-age clusters NGC 411 and NGC 1806 in the Magellanic Clouds. We performed NBODY6++ simulations based on two different formation scenarios, an ad hoc formation model where second-generation (SG) stars are formed inside a cluster of first-generation (FG) stars using the gas accumulated from the external intergalactic medium and a minor merger model of unequal mass (MSG/MFG ∼ 5-10 per cent) clusters with an age difference of a few hundred million years. We compared our results such as the radial profile of the SG-to-FG number ratio with observations on the assumption that the SG stars in the observations are composed of cluster members, and confirmed that both the ad hoc formation and merger scenarios reproduce the observed radial trend of the SG-to-FG number ratio, which shows less centrally concentrated SG than FG stars. It is difficult to constrain the formation scenario for the multiple populations by only using the spatial distribution of the SG stars. SG stars originating from the merger scenario show a significant velocity anisotropy and rotational features compared to those from the ad hoc formation scenario. Thus, observations aimed at kinematic properties like velocity anisotropy or rotational velocities for SG stars should be obtained to better understand the formation of the multiple populations in these clusters. This is, however, beyond current instrumentation capabilities.

Dynamical Defects in Rotating Magnetic Skyrmion Lattices

NASA Astrophysics Data System (ADS)

Pöllath, S.; Wild, J.; Heinen, L.; Meier, T. N. G.; Kronseder, M.; Tutsch, L.; Bauer, A.; Berger, H.; Pfleiderer, C.; Zweck, J.; Rosch, A.; Back, C. H.

2017-05-01

The chiral magnet Cu2 OSeO3 hosts a Skyrmion lattice that may be equivalently described as a superposition of plane waves or a lattice of particlelike topological objects. A thermal gradient may break up the Skyrmion lattice and induce rotating domains, raising the question of which of these scenarios better describes the violent dynamics at the domain boundaries. Here, we show that in an inhomogeneous temperature gradient caused by illumination in a Lorentz transmission electron microscope different parts of the Skyrmion lattice can be set into motion with different angular velocities. Tracking the time dependence, we show that the constant rearrangement of domain walls is governed by dynamic 5-7 defects arranging into lines. An analysis of the associated defect density is described by Frank's equation and agrees well with classical 2D Monte Carlo simulations. Fluctuations of boundaries show a surgelike rearrangement of Skyrmion clusters driven by defect rearrangement consistent with simulations treating Skyrmions as point particles. Our findings underline the particle character of the Skyrmion.

Phases and Dynamics of Self-Assembled DNA Programmed Nanocubes

NASA Astrophysics Data System (ADS)

Knorowski, Christopher; Travesset, Alex

2013-03-01

Systems of Nanoparticles grafted with complementary DNA strands have been shown to self-assemble into an array of superlattices. In this talk, we extend our previous model, which successfully predicted equilibrium phases and dynamics of assembly for spherical Nanoparticles without fitting parameters, to the case of nanocubes. We show that the phase diagram consists of bcc and sc lattices, depending on DNA length. The bcc lattices are either rotator and orientational glass or cubatic. For temperatures above the DNA melting temperature, the system is equivalent to f-star polymer systems, and consist of bcc, also with rotator, orientational glass or cubatic orientational order as well as sc. We also provide a characterization of the dynamics, including the role of topological defects in crystal nucleation and growth. This work is funded by DOE through the Ames Lab under Contract DE-AC02-07CH11358. Most simulations are performed on the Exalted GPU cluster, which is funded by a grant from Iowa State University and Nvidia Corp.

Collective orientational dynamics of pinned chemically-propelled nanorotors

NASA Astrophysics Data System (ADS)

Robertson, Bryan; Stark, Holger; Kapral, Raymond

2018-04-01

Collections of chemically propelled nanomotors free to move in solution can form dynamic clusters with diverse properties as a result of interactions through hydrodynamic flow and concentration fields, as well as direct intermolecular interactions between motors. Here, we study the collective rotational behavior of pinned sphere-dimer motors where direct motor-motor interactions play no role. Since the centers of mass of the motors are pinned, they cannot execute directed translational motion, but they can pump fluid and rotate; thus, the rotors remain coupled through hydrodynamic and chemical fields. Using a microscopic simulation method that accounts for coupling through both these fields, we show that different rotor configurations with a high degree of correlation exist and their forms depend on the nature of the fluid-rotor interactions. The correlations are greatly reduced or completely destroyed when the chemical interactions are removed, indicating that hydrodynamic coupling, while present, plays a lesser role in determining the collective rotor dynamics. These conclusions are supported by Langevin dynamics simulations that neglect hydrodynamics and include an approximate form of coupling through chemical fields.

Ab Initio Study of KCl and AgCl Clusters.

NASA Astrophysics Data System (ADS)

McKeough, James; Hira, Ajit; Cathey, Tommy; Valdez, Alexandra

This paper presents a theoretical study of molecular clusters that examines the chemical and physical properties of small KnCln and AgnCln clusters (n = 2 - 24). Due to combinations of attractive and repulsive long-range forces, such clusters exhibit structural and dynamical behavior different from that of homogeneous clusters. The potentially important role of these molecular species in biochemical and medicinal processes is widely known. This work applies the hybrid ab initio methods to derive the different alkali-halide (MnHn) geometries. Of particular interest is the competition between hexagonal ring geometries and rock salt structures. Electronic energies, rotational constants, dipole moments, and vibrational frequencies for these geometries are calculated. Magic numbers for cluster stability are identified and are related to the property of cluster compactness. Mapping of the singlet, triplet, and quintet, potential energy surfaces is performed. Calculations were performed to examine the interactions of these clusters with some atoms and molecules of biological interest, including O, O2, and Fe. Potential design of new medicinal drugs is explored. We will also investigate model and material dependence of the results. AMP program of the National Science Foundation.

The Dynamical Properties of Virgo Cluster Galaxies

NASA Astrophysics Data System (ADS)

Ouellette, Nathalie N.-Q.

By virtue of its proximity, the Virgo Cluster is an ideal laboratory for us to test our understanding of the formation of structure in our Universe. In this spirit, we present a dynamical study of 33 gas-poor and 34 gas-rich Virgo galaxies as part of the Spectroscopic and H-band Imaging of Virgo survey. Our final spectroscopic data set was acquired at the 3.5-m telescope at the Apache Point Observatory. Halpha rotation curves for the gas-rich galaxies were modelled with a multi-parameter fit function from which various velocity measurements were inferred. Analog values were measured off of the observed rotation curves, but yielded noisier scaling relations, such as the luminosity-velocity relation (also known as the Tully-Fisher relation). Our best i -band Tully-Fisher relation has slope alpha = --7.2 +/- 0.5 and intercept Mi(2.3) = --21.5 +/- 1.1 mag, matching similar previous studies. Our study takes advantage of our own, as well as literature, data; we plan to continue expanding our compilation in order to build the largest Tully-Fisher relation for a cluster to date. Following extensive testing of the IDL routine pPXF , extended velocity dispersion profiles were extracted for our gas-poor galaxies. Considering the lack of a common standard for the measurement of a fiducial galaxy velocity dispersion in the literature, we have endeavoured to rectify this situation by determining the radius at which the measured velocity dispersion, coupled with the galaxy luminosity, yields the tightest Faber-Jackson relation. We found that radius to be 1.5 R e, which exceeds the extent of most dispersion profiles in other works. The slope of our Faber-Jackson relation is alpha = --4.3 +/- 0.2, which closely matches the virial value of 4. This analysis will soon be applied to a study of the Virgo Cluster Fundamental Plane. Rotation correction of our dispersion profiles will also permit the study of galaxies' velocity dispersion profile shapes in an attempt to refine our understanding of the overall manifold of galaxy structural parameters.

Rotational spectroscopic study of carbonyl sulfide solvated with hydrogen molecules.

PubMed

Michaud, Julie M; Jäger, Wolfgang

2008-10-14

Rotational spectra of small-sized (H(2))(N)-OCS clusters with N = 2-7 were measured using a pulsed-jet Fourier transform microwave spectrometer. These include spectra of pure (para-H(2))(N)-OCS clusters, pure (ortho-H(2))(N)-OCS clusters, and mixed ortho-H(2) and para-H(2) containing clusters. The rotational lines of ortho-H(2) molecules containing clusters show proton spin-proton spin hyperfine structure, and the pattern evolves as the number of ortho-H(2) molecules in the cluster increases. Various isotopologues of the clusters were investigated, including those with O(13)CS, OC(33)S, OC(34)S, and O(13)C(34)S. Nuclear quadrupole hyperfine structures of rotational transitions were observed for (33)S (nuclear spin quantum number I = 3/2) containing isotopologues. The (33)S nuclear quadrupole coupling constants are compared to the corresponding constant of the OCS monomer and those of the He(N)-OCS clusters. The assignment of the number of solvating hydrogen molecules N is supported by the analyses of the proton spin-proton spin hyperfine structures of the mixed clusters, the dependence of line intensities on sample conditions (pressure and concentrations), and the agreement of the (para-H(2))(N)-OCS and (ortho-H(2))(N)-OCS rotational constants with those from a previous infrared study [J. Tang and A. R. W. McKellar, J. Chem. Phys. 121, 3087 (2004)].

Dark Matter in Ultra-diffuse Galaxies in the Virgo Cluster from Their Globular Cluster Populations

NASA Astrophysics Data System (ADS)

Toloba, Elisa; Lim, Sungsoon; Peng, Eric; Sales, Laura V.; Guhathakurta, Puragra; Mihos, J. Christopher; Côté, Patrick; Boselli, Alessandro; Cuillandre, Jean-Charles; Ferrarese, Laura; Gwyn, Stephen; Lançon, Ariane; Muñoz, Roberto; Puzia, Thomas

2018-04-01

We present Keck/DEIMOS spectroscopy of globular clusters (GCs) around the ultra-diffuse galaxies (UDGs) VLSB‑B, VLSB‑D, and VCC615 located in the central regions of the Virgo cluster. We spectroscopically identify 4, 12, and 7 GC satellites of these UDGs, respectively. We find that the three UDGs have systemic velocities (V sys) consistent with being in the Virgo cluster, and that they span a wide range of velocity dispersions, from ∼16 to ∼47 km s‑1, and high dynamical mass-to-light ratios within the radius that contains half the number of GCs ({407}-407+916, {21}-11+15, {60}-38+65, respectively). VLSB‑D shows possible evidence for rotation along the stellar major axis and its V sys is consistent with that of the massive galaxy M84 and the center of the Virgo cluster itself. These findings, in addition to having a dynamically and spatially (∼1 kpc) off-centered nucleus and being extremely elongated, suggest that VLSB‑D could be tidally perturbed. On the contrary, VLSB‑B and VCC615 show no signs of tidal deformation. Whereas the dynamics of VLSB‑D suggest that it has a less massive dark matter halo than expected for its stellar mass, VLSB‑B and VCC615 are consistent with a ∼1012 M ⊙ dark matter halo. Although our samples of galaxies and GCs are small, these results suggest that UDGs may be a diverse population, with their low surface brightnesses being the result of very early formation, tidal disruption, or a combination of the two.

Density Functional Computations and Molecular Dynamics Simulations of the Triethylammonium Triflate Protic Ionic Liquid.

PubMed

Mora Cardozo, Juan F; Burankova, T; Embs, J P; Benedetto, A; Ballone, P

2017-12-21

Systematic molecular dynamics simulations based on an empirical force field have been carried out for samples of triethylammonium trifluoromethanesulfonate (triethylammonium triflate, [TEA][Tf]), covering a wide temperature range 200 K ≤ T ≤ 400 K and analyzing a broad set of properties, from self-diffusion and electrical conductivity to rotational relaxation and hydrogen-bond dynamics. The study is motivated by recent quasi-elastic neutron scattering and differential scanning calorimetry measurements on the same system, revealing two successive first order transitions at T ≈ 230 and 310 K (on heating), as well as an intriguing and partly unexplained variety of subdiffusive motions of the acidic proton. Simulations show a weakly discontinuous transition at T = 310 K and highlight an anomaly at T = 260 K in the rotational relaxation of ions that we identify with the simulation analogue of the experimental transition at T = 230 K. Thus, simulations help identifying the nature of the experimental transitions, confirming that the highest temperature one corresponds to melting, while the one taking place at lower T is a transition from the crystal, stable at T ≤ 260 K, to a plastic phase (260 ≤ T ≤ 310 K), in which molecules are able to rotate without diffusing. Rotations, in particular, account for the subdiffusive motion seen at intermediate T both in the experiments and in the simulation. The structure, distribution, and strength of hydrogen bonds are investigated by molecular dynamics and by density functional computations. Clustering of ions of the same sign and the effect of contamination by water at 1% wgt concentration are discussed as well.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

The Next Generation Virgo Cluster Survey. VI. The Kinematics of Ultra-compact Dwarfs and Globular Clusters in M87

NASA Astrophysics Data System (ADS)

Zhang, Hong-Xin; Peng, Eric W.; Côté, Patrick; Liu, Chengze; Ferrarese, Laura; Cuillandre, Jean-Charles; Caldwell, Nelson; Gwyn, Stephen D. J.; Jordán, Andrés; Lançon, Ariane; Li, Biao; Muñoz, Roberto P.; Puzia, Thomas H.; Bekki, Kenji; Blakeslee, John P.; Boselli, Alessandro; Drinkwater, Michael J.; Duc, Pierre-Alain; Durrell, Patrick; Emsellem, Eric; Firth, Peter; Sánchez-Janssen, Rubén

2015-03-01

The origin of ultra-compact dwarfs (UCDs; rh >~ 10 pc)—objects larger and more massive than typical globular clusters (GCs), but more compact than typical dwarf galaxies—has been hotly debated in the 15 years since their discovery. Even whether UCDs should be considered galactic in origin, or simply the most extreme star clusters, is not yet settled. We present the dynamical properties of 97 spectroscopically confirmed UCDs and 911 GCs associated with the central cD galaxy of the Virgo cluster, M87. Our UCDs, of which 89% have M sstarf gsim 2× 106 M ⊙ and 92% are as blue as the classic blue GCs, nearly triple the confirmed sample of Virgo UCDs, providing by far the best opportunity for studying global dynamics of a UCD system. We found that (1) UCDs have a surface number density profile that is shallower than that of blue GCs in the inner ~70 kpc and as steep as that of red GCs at larger radii; (2) UCDs exhibit a significantly stronger rotation than GCs, and blue GCs seem to have a velocity field that is more consistent with that of the surrounding dwarf ellipticals than with that of UCDs; (3) UCDs have an orbital anisotropy profile that is tangentially biased at radii lsim40 kpc and radially biased farther out, whereas blue GCs become more tangentially biased at larger radii beyond ~40 kpc (4) GCs with M sstarf gsim 2 × 106 M ⊙ have rotational properties indistinguishable from the less massive ones, suggesting that it is the size, instead of mass, that differentiates UCDs from GCs as kinematically distinct populations. We conclude that most UCDs in M87 are not consistent with being merely the most luminous and extended examples of otherwise normal GCs. The radially biased orbital structure of UCDs at large radii is in general agreement with the "tidally threshed dwarf galaxy" scenario.

How do binary separations depend on cloud initial conditions?

NASA Astrophysics Data System (ADS)

Sterzik, M. F.; Durisen, R. H.; Zinnecker, H.

2003-11-01

We explore the consequences of a star formation scenario in which the isothermal collapse of a rotating, star-forming core is followed by prompt fragmentation into a cluster containing a small number (N <~ 10) of protostars and/or substellar objects. The subsequent evolution of the cluster is assumed to be dominated by dynamical interactions among cluster members, and this establishes the final properties of the binary and multiple systems. The characteristic scale of the fragmenting core is determined by the cloud initial conditions (such as temperature, angular momentum and mass), and we are able to relate the separation distributions of the final binary population to the properties of the star-forming core. Because the fragmentation scale immediately after the isothermal collapse is typically a factor of 3-10 too large, we conjecture that fragmentation into small clusters followed by dynamical evolution is required to account for the observed binary separation distributions. Differences in the environmental properties of the cores are expected to imprint differences on the characteristic dimensions of the binary systems they form. Recent observations of hierarchical systems, differences in binary characteristics among star forming regions and systematic variations in binary properties with primary mass can be interpreted in the context of this scenario.

Unusual satellite data: A black hole?. [International Ultraviolet Explorer observations

NASA Technical Reports Server (NTRS)

1978-01-01

Data obtained by the NASA-launched European Space Agency's International Ultraviolet Explorer satellite suggests the possibility of a massive black hole at the center of some globular clusters (star groups) in our galaxy. Six of these clusters, three of them X-ray sources, were closely examined. Onboard short wavelength UV instrumentation penetrated the background denseness of the clusters 15,000 light years away where radiation, probably from a group of 10 to 20 bright blue stars orbiting the core, was observed. The stars may well be orbiting a massive black hole the size of 1,000 solar systems. The existence of the black hole is uncertain. The dynamics of the stars must be studied first to determine how they rotate in relation to the center of the million-star cluster. This may better indicate what provides the necessary gravitational pull that holds them in orbit.

A theoretical study in extracting the essential features and dynamics of molecular motions: Intrinsic geometry methods for PF(5) pseudorotations and statistical methods for argon clusters

NASA Astrophysics Data System (ADS)

Panahi, Nima S.

We studied the problem of understanding and computing the essential features and dynamics of molecular motions through the development of two theories for two different systems. First, we studied the process of the Berry Pseudorotation of PF5 and the rotations it induces in the molecule through its natural and intrinsic geometric nature by setting it in the language of fiber bundles and graph theory. With these tools, we successfully extracted the essentials of the process' loops and induced rotations. The infinite number of pseudorotation loops were broken down into a small set of essential loops called "super loops", with their intrinsic properties and link to the physical movements of the molecule extensively studied. In addition, only the three "self-edge loops" generated any induced rotations, and then only a finite number of classes of them. Second, we studied applying the statistical methods of Principal Components Analysis (PCA) and Principal Coordinate Analysis (PCO) to capture only the most important changes in Argon clusters so as to reduce computational costs and graph the potential energy surface (PES) in three dimensions respectively. Both methods proved successful, but PCA was only partially successful since one will only see advantages for PES database systems much larger than those both currently being studied and those that can be computationally studied in the next few decades to come. In addition, PCA is only needed for the very rare case of a PES database that does not already include Hessian eigenvalues.

Rotation Periods of Open Cluster Stars. IV.

NASA Astrophysics Data System (ADS)

Prosser, Charles F.; Grankin, Konstantin N.

We present the results from a photometric monitoring program of primarily solar-type open cluster stars obtained during 1994 and 1995. Several members of the α Persei cluster have been monitored and the corresponding relation between coronal x-ray activity and rotation period derived. The relation among mid-G/K type members illustrates both the previously noticed downturn in L_X/L_bol at high rotation rates and the sharp decrease in coronal activity at long rotation periods as seen among Pleiades stars. Intensive observation of one slowly rotating G-type member of IC 4665 has enabled a period determination of 8-10 days to be made and illustrates the need for (and limitations of) high quality observations.

A Quick Test on Rotation Period Clustering for the Small Members of the Koronis Family

NASA Astrophysics Data System (ADS)

Chang, Chan-Kao; Lin, Hsing-Wen; Ip, Wing-Huen

2016-01-01

Rotation period clustering in prograde/retrograde rotators might be the preliminary indication of the Slivan state in the Koronis family as a result of the Yarkovsky-O’Keefe-Radzievskii-Paddack effect. We follow the general scenario of dispersion in the semimajor axis of the asteroid family members to separate prograde and retrograde rotators in the Koronis family. From the available rotation periods obtained from PTF/iPTF, we were unable to find the rotation period clustering of objects with H ≳ 12 mag in the Koronis family. This could be the result of the intermittent collisional process of small asteroids (D ≲ 20 km) which leads to astray Yarkovsky drifting. Measurement of the pole orientations of our sample will verify our preliminary result and validate our method.

Modeling the polydomain-monodomain transition of liquid crystal elastomers.

PubMed

Whitmer, Jonathan K; Roberts, Tyler F; Shekhar, Raj; Abbott, Nicholas L; de Pablo, Juan J

2013-02-01

We study the mechanism of the polydomain-monodomain transition in liquid crystalline elastomers at the molecular scale. A coarse-grained model is proposed in which mesogens are described as ellipsoidal particles. Molecular dynamics simulations are used to examine the transition from a polydomain state to a monodomain state in the presence of uniaxial strain. Our model demonstrates soft elasticity, similar to that exhibited by side-chain elastomers in the literature. By analyzing the growth dynamics of nematic domains during uniaxial extension, we provide direct evidence that at a molecular level the polydomain-monodomain transition proceeds through cluster rotation and domain growth.

Kinematical evolution of tidally limited star clusters: rotational properties

NASA Astrophysics Data System (ADS)

Tiongco, Maria A.; Vesperini, Enrico; Varri, Anna Lisa

2017-07-01

We present the results of a set of N-body simulations following the long-term evolution of the rotational properties of star cluster models evolving in the external tidal field of their host galaxy, after an initial phase of violent relaxation. The effects of two-body relaxation and escape of stars lead to a redistribution of the ordered kinetic energy from the inner to the outer regions, ultimately determining a progressive general loss of angular momentum; these effects are reflected in the overall decline of the rotation curve as the cluster evolves and loses stars. We show that all of our models share the same dependence of the remaining fraction of the initial rotation on the fraction of the initial mass lost. As the cluster evolves and loses part of its initial angular momentum, it becomes increasingly dominated by random motions, but even after several tens of relaxation times, and losing a significant fraction of its initial mass, a cluster can still be characterized by a non-negligible ratio of the rotational velocity to the velocity dispersion. This result is in qualitative agreement with the recently observed kinematical complexity that characterizes several Galactic globular clusters.

Dark field differential dynamic microscopy enables accurate characterization of the roto-translational dynamics of bacteria and colloidal clusters

NASA Astrophysics Data System (ADS)

Cerbino, Roberto; Piotti, Davide; Buscaglia, Marco; Giavazzi, Fabio

2018-01-01

Micro- and nanoscale objects with anisotropic shape are key components of a variety of biological systems and inert complex materials, and represent fundamental building blocks of novel self-assembly strategies. The time scale of their thermal motion is set by their translational and rotational diffusion coefficients, whose measurement may become difficult for relatively large particles with small optical contrast. Here we show that dark field differential dynamic microscopy is the ideal tool for probing the roto-translational Brownian motion of anisotropic shaped particles. We demonstrate our approach by successful application to aqueous dispersions of non-motile bacteria and of colloidal aggregates of spherical particles.

Sound controlled rotation of a cluster of small particles on an ultrasonically vibrating metal strip

NASA Astrophysics Data System (ADS)

Zhang, Xueyi; Zheng, Yun; Hu, Junhui

2008-01-01

We show that a vibrating metal strip, mechanically driven by an ultrasonic transducer, can rotate a cluster of small particles around a fixed point, and the diameter of the cluster of small particles can reach a stable value (steady diameter) for a given driving condition. The rotation is very stable when the vibration of the metal strip is appropriate. The revolution speed, its direction, and steady diameter of the particle cluster can be controlled by the operating frequency of the ultrasonic transducer. For shrimp eggs, a revolution speed up to 360rpm can be obtained.

Stars caught in the braking stage in young Magellanic Cloud clusters

NASA Astrophysics Data System (ADS)

D'Antona, Francesca; Milone, Antonino P.; Tailo, Marco; Ventura, Paolo; Vesperini, Enrico; di Criscienzo, Marcella

2017-08-01

The colour-magnitude diagrams of many Magellanic Cloud clusters (with ages up to 2 billion years) display extended turnoff regions where the stars leave the main sequence, suggesting the presence of multiple stellar populations with ages that may differ even by hundreds of millions of years 1,2,3 . A strongly debated question is whether such an extended turnoff is instead due to populations with different stellar rotations3,4,5,6 . The recent discovery of a 'split' main sequence in some younger clusters (~80-400 Myr) added another piece to this puzzle. The blue side of the main sequence is consistent with slowly rotating stellar models, and the red side consistent with rapidly rotating models7,8,9,10. However, a complete theoretical characterization of the observed colour-magnitude diagram also seemed to require an age spread9. We show here that, in the three clusters so far analysed, if the blue main-sequence stars are interpreted with models in which the stars have always been slowly rotating, they must be ~30% younger than the rest of the cluster. If they are instead interpreted as stars that were initially rapidly rotating but have later slowed down, the age difference disappears, and this 'braking' also helps to explain the apparent age differences of the extended turnoff. The age spreads in Magellanic Cloud clusters are thus a manifestation of rotational stellar evolution. Observational tests are suggested.

The Dynamical Properties of Virgo Cluster Disk Galaxies

NASA Astrophysics Data System (ADS)

Ouellette, N. N. Q.; Courteau, S.; Holtzman, J. A.; Dalcanton, J. J.; McDonald, M.; Zhu, Y.

2014-03-01

By virtue of its proximity, the Virgo Cluster is an ideal laboratory for testing our understanding of structure formation in the Universe. In this spirit, we present a dynamical study of Virgo galaxies as part of the Spectroscopic and H-band Imaging of Virgo (SHIVir) survey. Hα rotation curves (RC) for our gas-rich galaxies were modeled with a multi-parameter fit function from which various velocity measurements were inferred. Our study takes advantage of archival and our own new data as we aim to compile the largest Tully-Fisher relation (TFR) for a cluster to date. Extended velocity dispersion profiles (VDP) are integrated over varying aperture sizes to extract representative velocity dispersions (VDs) for gas-poor galaxies. Considering the lack of a common standard for the measurement of a fiducial galaxy VD in the literature, we rectify this situation by determining the radius at which the measured VD yields the tightest Fundamental Plane (FP). We found that radius to be at least 1 Re, which exceeds the extent of most dispersion profiles in other works.

Rotational and radial velocities of 1.3-2.2 M {sub ☉} red giants in open clusters

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

Carlberg, Joleen K., E-mail: jcarlberg@dtm.ciw.edu

2014-06-01

This study presents the rotational distribution of red giant (RG) stars in 11 old to intermediate age open clusters. The masses of these stars are all above the Kraft break, so they lose negligible amounts of their birth angular momentum (AM) during the main-sequence (MS) evolution. However, they do span a mass range with quite different AM distributions imparted during formation, with the stars less massive than ∼1.6M {sub ☉} arriving on the MS with lower rotation rates than the more massive stars. The majority of RGs in this study are slow rotators across the entire red giant branch regardlessmore » of mass, supporting the picture that intermediate-mass stars rapidly spin down when they evolve off the MS and develop convection zones capable of driving a magnetic dynamo. Nevertheless, a small fraction of RGs in open clusters show some level of enhanced rotation, and faster rotators are as common in these clusters as in the field RG population. Most of these enhanced rotators appear to be red clump stars, which is also true of the underlying stellar sample, while others are clearly RGs that are above or below the clump. In addition to rotational velocities, the radial velocities (RVs) and membership probabilities of individual stars are also presented. Cluster heliocentric RVs for NGC 6005 and Pismis 18 are reported for the first time.« less

Rotational velocities of newly discovered, low-mass members of the Alpha Persei cluster

NASA Technical Reports Server (NTRS)

Stauffer, John R.; Hartmann, Lee W.; Jones, Burton F.

1989-01-01

About 30 new, low-mass members of the young open cluster Alpha Persei are identified via a proper-motion study and subsequent photometric and spectroscopic observations. Membership in the cluster is confirmed for a number of the fainter proper-motion candidates from Heckman, Dieckvoss, and Kox (1956). Coordinates, finding charts, BVRI photometry, and rotational velocities are provided for most of the stars. At least two of the stars show peculiar H-alpha emission profiles, with weak but very broad emission wings, and relatively narrow absorption reversals. The rotational velocity distribution for low-mass stars in the Alpha Per cluster are compared with recently derived rotational velocity distributions for T Tauri stars, placing strong constraints on the mechanisms for angular momentum loss during pre-main-sequence evolution.

Rotationally induced magnetic chirality in clusters of single-domain permalloy islands and gapped nanorings

NASA Astrophysics Data System (ADS)

Zhang, Sheng; Li, Jie; Bartell, Jason; Lammert, Paul; Crespi, Vincent; Schiffer, Peter

2011-03-01

We have studied magnetic moment configurations of clusters of single-domain ferromagnetic islands in different geometries. The magnetic moments of these clusters are imaged by MFM after rotational demagnetization, following our previous protocols. We observed that two types of the clusters showed a significant imbalance of their two-fold degenerate ground states after demagnetization, and this inequality is correlated to the rotational direction of the demagnetization. A similar imbalance was also found in nano-scale rings with a small gap: the chirality of their magnetic state can be precisely controlled by the rotational direction during demagnetization. We acknowledge the financial support from DOE and Army Research Office. We are grateful to Prof. Chris Leighton and Mike Erickson for assistance with sample preparation.

Dissociation energy and dynamics of water clusters

NASA Astrophysics Data System (ADS)

Ch'ng, Lee Chiat

The state-to-state vibrational predissociation (VP) dynamics of water clusters were studied following excitation of a vibrational mode of each cluster. Velocity-map imaging (VMI) and resonance-enhanced multiphoton ionization (REMPI) were used to determine pair-correlated center-of-mass translational energy distributions. Product energy distributions and dissociation energies were determined. Following vibrational excitation of the HCl stretch fundamental of the HCl-H2O dimer, HCl fragments were detected by 2 + 1 REMPI via the f 3□2(nu' = 0) ← X 1Sigma+(nu'' = 0) and V1Sigma + (nu' = 11 and 12) ← X1Sigma+ (nu'' = 0) transitions. REMPI spectra clearly show HCl from dissociation produced in the ground vibrational state with J'' up to 11. The fragments' center-of-mass translational energy distributions were determined from images of selected rotational states of HCl and were converted to rotational state distributions of the water cofragment. All the distributions could be fit well when using a dimer dissociation energy of bond dissociation energy D0 = 1334 +/- 10 cm--1. The rotational distributions in the water cofragment pair-correlated with specific rotational states of HCl appear nonstatistical when compared to predictions of the statistical phase space theory. A detailed analysis of pair-correlated state distributions was complicated by the large number of water rotational states available, but the data show that the water rotational populations increase with decreasing translational energy. H2O fragments of this dimer were detected by 2 + 1 REMPI via the C˜1B1(000) ← X˜1A1(000) transition. REMPI clearly shows that H2O from dissociation is produced in the ground vibrational state. The fragment's center-of-mass translational energy distributions were determined from images of selected rotational states of H2O and were converted to rotational state distributions of the HCl cofragment. The distributions gave D0 = 1334 +/- 10 cm --1 and show a clear preference for rotational levels in the HCl fragment that minimize translational energy release. The usefulness of 2 + 1 REMPI detection of water fragment is discussed. The hydrogen bonding in water is dominated by pair-wise dimer interactions, and the predissociation of the water dimer following vibrational excitation is reported. The measured D0 values of (H 2O)2 and (D2O)2, 1105 and 1244 +/- 10 cm--1, respectively, are in excellent agreement with the calculated values of 1103 and 1244 +/- 5 cm--1. Pair-correlated water fragment rovibrational state distributions following vibrational predissociation of (H2O)2 and (D2O) 2 were obtained upon excitation of the hydrogen bonded OH and OD stretch fundamentals, respectively. Quasiclassical trajectory calculations, using an accurate full-dimensional potential energy surface, are in accord with and help to elucidate experiment. Experiment and theory find predominant excitation of the fragment bending mode upon hydrogen bond breaking. A minor channel is also observed in which both fragments are in the ground vibrational state and are highly rotationally excited. The theoretical calculations reveal equal probability of bending excitation in the donor and acceptor subunits, which is a result of interchange of donor and acceptor roles. The rotational distributions associated with the major channel, in which one water fragment has one quantum of bend, and the minor channel with both water fragments in the ground vibrational state are calculated, and are in agreement with experiment. (Abstract shortened by UMI.)

Prediction of Tibial Rotation Pathologies Using Particle Swarm Optimization and K-Means Algorithms.

PubMed

Sari, Murat; Tuna, Can; Akogul, Serkan

2018-03-28

The aim of this article is to investigate pathological subjects from a population through different physical factors. To achieve this, particle swarm optimization (PSO) and K-means (KM) clustering algorithms have been combined (PSO-KM). Datasets provided by the literature were divided into three clusters based on age and weight parameters and each one of right tibial external rotation (RTER), right tibial internal rotation (RTIR), left tibial external rotation (LTER), and left tibial internal rotation (LTIR) values were divided into three types as Type 1, Type 2 and Type 3 (Type 2 is non-pathological (normal) and the other two types are pathological (abnormal)), respectively. The rotation values of every subject in any cluster were noted. Then the algorithm was run and the produced values were also considered. The values of the produced algorithm, the PSO-KM, have been compared with the real values. The hybrid PSO-KM algorithm has been very successful on the optimal clustering of the tibial rotation types through the physical criteria. In this investigation, Type 2 (pathological subjects) is of especially high predictability and the PSO-KM algorithm has been very successful as an operation system for clustering and optimizing the tibial motion data assessments. These research findings are expected to be very useful for health providers, such as physiotherapists, orthopedists, and so on, in which this consequence may help clinicians to appropriately designing proper treatment schedules for patients.

Active turbulence in a gas of self-assembled spinners

PubMed Central

Kokot, Gašper; Das, Shibananda; Winkler, Roland G.; Aranson, Igor S.; Snezhko, Alexey

2017-01-01

Colloidal particles subject to an external periodic forcing exhibit complex collective behavior and self-assembled patterns. A dispersion of magnetic microparticles confined at the air–liquid interface and energized by a uniform uniaxial alternating magnetic field exhibits dynamic arrays of self-assembled spinners rotating in either direction. Here, we report on experimental and simulation studies of active turbulence and transport in a gas of self-assembled spinners. We show that the spinners, emerging as a result of spontaneous symmetry breaking of clock/counterclockwise rotation of self-assembled particle chains, generate vigorous vortical flows at the interface. An ensemble of spinners exhibits chaotic dynamics due to self-generated advection flows. The same-chirality spinners (clockwise or counterclockwise) show a tendency to aggregate and form dynamic clusters. Emergent self-induced interface currents promote active diffusion that could be tuned by the parameters of the external excitation field. Furthermore, the erratic motion of spinners at the interface generates chaotic fluid flow reminiscent of 2D turbulence. Our work provides insight into fundamental aspects of collective transport in active spinner materials and yields rules for particle manipulation at the microscale. PMID:29158382

Rotation periods of open-cluster stars, 3

NASA Technical Reports Server (NTRS)

Prosser, Charles F.; Shetrone, Matthew D.; Dasgupta, Amil; Backman, Dana E.; Laaksonen, Bentley D.; Baker, Shawn W.; Marschall, Laurence A.; Whitney, Barbara A.; Kuijken, Konrad; Stauffer, John R.

1995-01-01

We present the results from a photometric monitoring program of 15 open cluster stars and one weak-lined T Tauri star during late 1993/early 1994. Several show rotators which are members of the Alpha Persei, Pleiades, and Hyades open clusters have been monitored and period estimates derived. Using all available Pleiades stars with photometric periods together with current X-ray flux measurements, we illustrate the X-ray activity/rotation relation among Pleiades late-G/K dwarfs. The data show a clear break in the rotation-activity relation around P approximately 6-7 days -- in general accordance with previous results using more heterogeneous samples of G/K stars.

The quantum structure of anionic hydrogen clusters

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2018-03-01

A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

A spin-down clock for cool stars from observations of a 2.5-billion-year-old cluster.

PubMed

Meibom, Søren; Barnes, Sydney A; Platais, Imants; Gilliland, Ronald L; Latham, David W; Mathieu, Robert D

2015-01-29

The ages of the most common stars--low-mass (cool) stars like the Sun, and smaller--are difficult to derive because traditional dating methods use stellar properties that either change little as the stars age or are hard to measure. The rotation rates of all cool stars decrease substantially with time as the stars steadily lose their angular momenta. If properly calibrated, rotation therefore can act as a reliable determinant of their ages based on the method of gyrochronology. To calibrate gyrochronology, the relationship between rotation period and age must be determined for cool stars of different masses, which is best accomplished with rotation period measurements for stars in clusters with well-known ages. Hitherto, such measurements have been possible only in clusters with ages of less than about one billion years, and gyrochronology ages for older stars have been inferred from model predictions. Here we report rotation period measurements for 30 cool stars in the 2.5-billion-year-old cluster NGC 6819. The periods reveal a well-defined relationship between rotation period and stellar mass at the cluster age, suggesting that ages with a precision of order 10 per cent can be derived for large numbers of cool Galactic field stars.

A 'first principles' potential energy surface for liquid water from VRT spectroscopy of water clusters.

PubMed

Goldman, Nir; Leforestier, Claude; Saykally, R J

2005-02-15

We present results of gas phase cluster and liquid water simulations from the recently determined VRT(ASP-W)III water dimer potential energy surface (the third fitting of the Anisotropic Site Potential with Woermer dispersion to vibration-rotation-tunnelling data). VRT(ASP-W)III is shown to not only be a model of high 'spectroscopic' accuracy for the water dimer, but also makes accurate predictions of vibrational ground-state properties for clusters up through the hexamer. Results of ambient liquid water simulations from VRT(ASP-W)III are compared with those from ab initio molecular dynamics, other potentials of 'spectroscopic' accuracy and with experiment. The results herein represent the first time to the authors' knowledge that a 'spectroscopic' potential surface is able to correctly model condensed phase properties of water.

Anharmonic effects in large-amplitude vibrations of metal clusters

NASA Astrophysics Data System (ADS)

Karpeshin, F. F.; da Providência, J.; Providência, C.; da Providência, J., Jr.

2002-03-01

Two types of extreme collective motion, large-amplitude many-phonon vibration of the ionic core and rotation of the cluster with high angular momenta, are considered. The interplay between vibration and collective motion towards fission is discussed. A new mechanism of formation and rupture of the neck is proposed which is based on the Franck-Condon principle, and accounts for the interplay between vibration and fission. Under rotation, the change of the shape of the cluster and a phase transition from axially symmetric to triaxial ellipsoid are predicted. For studying the effects, vibrational motion can be induced by laser radiation. Rotational motion may arise in collisions of clusters.

The distribution of mass for spiral galaxies in clusters and in the field

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

Forbes, D.A.; Whitmore, B.C.

1989-04-01

A comparison is made between the mass distributions of spiral galaxies in clusters and in the field using Burstein's mass-type methodology. Both the H-alpha emission-line rotation curves and more extended H I rotation curves are used. The fitting technique for determining mass types used by Burstein and coworkers has been replaced by an objective chi-sq method. Mass types are shown to be a function of both the Hubble type and luminosity, contrary to earlier results. The present data show a difference in the distribution of mass types for spiral galaxies in the field and in clusters, in the sense thatmore » mass type I galaxies, where the inner and outer velocity gradients are similar, are generally found in the field rather than in clusters. This can be understood in terms of the results of Whitmore, Forbes, and Rubin (1988), who find that the rotation curves of galaxies in the central region of clusters are generally failing, while the outer galaxies in a cluster and field galaxies tend to have flat or rising rotation curves. 15 refs.« less

The kinematic properties of dwarf early-type galaxies in the Virgo cluster

NASA Astrophysics Data System (ADS)

Toloba, E.; Boselli, A.; Peletier, R. F.; Gorgas, J.

2011-11-01

We present new medium resolution kinematic data for a sample of 21 dwarf early-type galaxies (dEs) mainly in the Virgo cluster. These data are used to study the origin of dEs inhabiting clusters. Within them we detect two populations: half of the sample (52%) are rotationally supported and the other half are pressure supported. We also find that the rotationally supported dEs are located in the outer parts of the cluster, present disky morphological shapes and are younger than those pressure supported that are concentrated in the core of the cluster without any underlying structures. Our analysis reveals that the rotationally supported objects have rotation curves similarly shaped to those of star forming galaxies of similar luminosities and follow the Tully-Fisher relation. This is expected if dEs are the descendant of low luminosity star forming systems which recently entered the cluster and lost their gas due to a ram pressure stripping event, quenching their star formation activity and transforming them into quiescent systems, but conserving their angular momentum.

Vibration-rotation-tunneling spectroscopy of the van der Waals Bond: A new look at intermolecular forces

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

Cohen, R.C.; Saykally, R.J.

Measurements of the low-frequency van der Waals vibrations in weakly bound complexes by high-resolution laser spectroscopy provide a means to probe intermolecular forces at unprecedented levels of detail and precision. Several new methods are presently being used to record vibration/rotation-tunneling (VRT) transitions associated with the motions of the weak bonds in van der Waals clusters. The most direct measurements are those probing only the van der Waals modes themselves, which occur at far-infrared wavelengths. This article presents a review of the information on both intramolecular forces and intramolecular dynamics that has been obtained from far-infrared VRT spectra of 18 complexesmore » during the past several years. Some rotationally resolved measurements of van der Waals modes observed in combination with electronic or vibrational excitation are also discussed. 185 refs., 15 figs., 1 tab.« less

Extended Main-sequence Turn-offs in Intermediate-age Star Clusters: Stellar Rotation Diminishes, but Does Not Eliminate, Age Spreads

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

Goudfrooij, Paul; Correnti, Matteo; Girardi, Léo, E-mail: goudfroo@stsci.edu

Extended main-sequence turn-off (eMSTO) regions are a common feature in color–magnitude diagrams of young- and intermediate-age star clusters in the Magellanic Clouds. The nature of eMSTOs remains debated in the literature. The currently most popular scenarios are extended star formation activity and ranges of stellar rotation rates. Here we study details of differences in main-sequence turn-off (MSTO) morphology expected from spreads in age versus spreads in rotation rates, using Monte Carlo simulations with the Geneva syclist isochrone models that include the effects of stellar rotation. We confirm a recent finding of Niederhofer et al. that a distribution of stellar rotationmore » velocities yields an MSTO extent that is proportional to the cluster age, as observed. However, we find that stellar rotation yields MSTO crosscut widths that are generally smaller than observed ones at a given age. We compare the simulations with high-quality Hubble Space Telescope data of NGC 1987 and NGC 2249, which are the two only relatively massive star clusters with an age of ∼1 Gyr for which such data is available. We find that the distribution of stars across the eMSTOs of these clusters cannot be explained solely by a distribution of stellar rotation velocities, unless the orientations of rapidly rotating stars are heavily biased toward an equator-on configuration. Under the assumption of random viewing angles, stellar rotation can account for ∼60% and ∼40% of the observed FWHM widths of the eMSTOs of NGC 1987 and NGC 2249, respectively. In contrast, a combination of distributions of stellar rotation velocities and stellar ages fits the observed eMSTO morphologies very well.« less

Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: Energetics, occupancy, and vibrationally averaged cluster structures

NASA Astrophysics Data System (ADS)

Sebastianelli, Francesco; Xu, Minzhong; Bačić, Zlatko

2008-12-01

We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H2 (p-H2) and ortho-D2 (o-D2) molecules inside the large hexakaidecahedral (51264) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H2)n and (o-D2)n clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H2)4. At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H2 or D2 molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D2 molecules, their mean distance from the cage center, the D2-D2 separation, and the specific orientation and localization of the tetrahedral (D2)4 cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D2 occupancy.

Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: energetics, occupancy, and vibrationally averaged cluster structures.

PubMed

Sebastianelli, Francesco; Xu, Minzhong; Bacić, Zlatko

2008-12-28

We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H(2) (p-H(2)) and ortho-D(2) (o-D(2)) molecules inside the large hexakaidecahedral (5(12)6(4)) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H(2))(n) and (o-D(2))(n) clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H(2))(4). At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H(2) or D(2) molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D(2) molecules, their mean distance from the cage center, the D(2)-D(2) separation, and the specific orientation and localization of the tetrahedral (D(2))(4) cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D(2) occupancy.

Force Field Development and Molecular Dynamics of [NiFe] Hydrogenase

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

Smith, Dayle MA; Xiong, Yijia; Straatsma, TP

2012-05-09

Classical molecular force-field parameters describing the structure and motion of metal clusters in [NiFe] hydrogenase enzymes can be used to compare the dynamics and thermodynamics of [NiFe] under different oxidation, protonation, and ligation circumstances. Using density functional theory (DFT) calculations of small model clusters representative of the active site and the proximal, medial, and distal Fe/S metal centers and their attached protein side chains, we have calculated classical force-field parameters for [NiFe] in reduced and oxidized states, including internal coordinates, force constants, and atom-centered charges. Derived force constants revealed that cysteinate ligands bound to the metal ions are more flexiblemore » in the Ni-B active site, which has a bridging hydroxide ligand, than in the Ni-C active site, which has a bridging hydride. Ten nanosecond all-atom, explicit-solvent MD simulations of [NiFe] hydrogenase in oxidized and reduced catalytic states established the stability of the derived force-field parameters in terms of C{alpha} and metal cluster fluctuations. Average active site structures from the protein MD simulations are consistent with [NiFe] structures from the Protein Data Bank, suggesting that the derived force-field parameters are transferrable to other hydrogenases beyond the structure used for testing. A comparison of experimental H{sub 2}-production rates demonstrated a relationship between cysteinate side chain rotation and activity, justifying the use of a fully dynamic model of [NiFe] metal cluster motion.« less

Dynamic organization of myristoylated Src in the live cell plasma membrane

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

Smith, Adam W.; Huang, Hector H.; Endres, Nicholas F.

The spatial organization of lipid-anchored proteins in the plasma membrane directly influences cell signaling, but measuring such organization in situ is experimentally challenging. The canonical oncogene, c-Src, is a lipid anchored protein that plays a key role in integrin-mediated signal transduction within focal adhesions and cell–cell junctions. Because of its activity in specific plasma membrane regions, structural motifs within the protein have been hypothesized to play an important role in its subcellular localization. This study used a combination of time-resolved fluorescence fluctuation spectroscopy and super-resolution microscopy to quantify the dynamic organization of c-Src in live cell membranes. Pulsed-interleaved excitation fluorescencemore » cross-correlation spectroscopy (PIE–FCCS) showed that a small fraction of c-Src transiently sorts into membrane clusters that are several times larger than the monomers. Photoactivated localization microscopy (PALM) confirmed that c-Src partitions into clusters with low probability and showed that the characteristic size of the clusters is 10–80 nm. Finally, time-resolved fluorescence anisotropy measurements were used to quantify the rotational mobility of c-Src to determine how it interacts with its local environment. Altogether, these results build a quantitative description of the mobility and clustering behavior of the c-Src nonreceptor tyrosine kinase in the live cell plasma membrane.« less

Dynamic organization of myristoylated Src in the live cell plasma membrane

DOE PAGES

Smith, Adam W.; Huang, Hector H.; Endres, Nicholas F.; ...

2016-01-15

The spatial organization of lipid-anchored proteins in the plasma membrane directly influences cell signaling, but measuring such organization in situ is experimentally challenging. The canonical oncogene, c-Src, is a lipid anchored protein that plays a key role in integrin-mediated signal transduction within focal adhesions and cell–cell junctions. Because of its activity in specific plasma membrane regions, structural motifs within the protein have been hypothesized to play an important role in its subcellular localization. This study used a combination of time-resolved fluorescence fluctuation spectroscopy and super-resolution microscopy to quantify the dynamic organization of c-Src in live cell membranes. Pulsed-interleaved excitation fluorescencemore » cross-correlation spectroscopy (PIE–FCCS) showed that a small fraction of c-Src transiently sorts into membrane clusters that are several times larger than the monomers. Photoactivated localization microscopy (PALM) confirmed that c-Src partitions into clusters with low probability and showed that the characteristic size of the clusters is 10–80 nm. Finally, time-resolved fluorescence anisotropy measurements were used to quantify the rotational mobility of c-Src to determine how it interacts with its local environment. Altogether, these results build a quantitative description of the mobility and clustering behavior of the c-Src nonreceptor tyrosine kinase in the live cell plasma membrane.« less

Rotation periods of open-cluster stars, 2

NASA Technical Reports Server (NTRS)

Prosser, Charles F.; Shetrone, Matthew D.; Marilli, Ettore; Catalano, Santo; Williams, Scott D.; Backman, Dana E.; Laaksonen, Bentley D.; Adige, Vikram; Marschall, Laurence A.; Stauffer, John R.

1993-01-01

We present the results from a photometric monitoring program of 21 stars observed during 1992 in the Pleiades and Alpha Persei open clusters. Period determinations for 16 stars are given, 13 of which are the first periods reported for these stars. Brightness variations for an additional five cluster stars are also given. One K dwarf member of the alpha Per cluster is observed to have a period of rotation of only 4.39 hr. perhaps the shortest period currently known among BY Draconis variables. The individual photometric measurements have been deposited with the NSSDC. Combining current X-ray flux determinations with known photometric periods, we illustrate the X-ray activity/rotation relation among Pleiades K dwarfs based on available data.

Mg II Spectral Atlas and Flux Catalog for Late-Type Stars in the Hyades Cluster

NASA Technical Reports Server (NTRS)

Simon, Theodore

2001-01-01

In the course of a long-running IUE Guest Observer program, UV spectral images were obtained for more than 60 late-type members of the Hyades Cluster in order to investigate their chromospheric emissions. The emission line fluxes extracted from those observations were used to study the dependence of stellar dynamo activity upon age and rotation (IUE Observations of Rapidly Rotating Low-Mass Stars in Young Clusters: The Relation between Chromospheric Activity and Rotation). However, the details of those measurements, including a tabulation of the line fluxes, were never published. The purpose of the investigation summarized here was to extract all of the existing Hyades long-wavelength Mg II spectra in the IUE public archives in order to survey UV chromospheric emission in the cluster, thereby providing a consistent dataset for statistical and correlative studies of the relationship between stellar dynamo activity, rotation, and age over a broad range in mass.

Impact of anticipation in dynamical systems

NASA Astrophysics Data System (ADS)

Gerlee, P.; Tunstrøm, K.; Lundh, T.; Wennberg, B.

2017-12-01

Many animals, including humans, have predictive capabilities and, presumably, base their behavioral decisions—at least partially—upon an anticipated state of their environment. We explore a minimal version of this idea in the context of particles that interact according to a pairwise potential. Anticipation enters the picture by calculating the interparticle forces from linear extrapolations of the particle positions some time τ in the future. Simulations show that for intermediate values of τ , compared to a transient time scale defined by the potential and the initial conditions, the particles form rotating clusters in which the particles are arranged in a hexagonal pattern. Analysis of the system shows that anticipation induces energy dissipation and we show that the kinetic energy asymptotically decays as 1 /t . Furthermore, we show that the angular momentum is not necessarily conserved for τ >0 , and that asymmetries in the initial condition therefore can cause rotational movement. These results suggest that anticipation could play an important role in collective behavior, since it may induce pattern formation and stabilizes the dynamics of the system.

Dynamical mechanism for sharp orientation tuning in an integrate-and-fire model of a cortical hypercolumn.

PubMed

Bressloff, P C; Bressloff, N W; Cowan, J D

2000-11-01

Orientation tuning in a ring of pulse-coupled integrate-and-fire (IF) neurons is analyzed in terms of spontaneous pattern formation. It is shown how the ring bifurcates from a synchronous state to a non-phase-locked state whose spike trains are characterized by clustered but irregular fluctuations of the interspike intervals (ISIs). The separation of these clusters in phase space results in a localized peak of activity as measured by the time-averaged firing rate of the neurons. This generates a sharp orientation tuning curve that can lock to a slowly rotating, weakly tuned external stimulus. Under certain conditions, the peak can slowly rotate even to a fixed external stimulus. The ring also exhibits hysteresis due to the subcritical nature of the bifurcation to sharp orientation tuning. Such behavior is shown to be consistent with a corresponding analog version of the IF model in the limit of slow synaptic interactions. For fast synapses, the deterministic fluctuations of the ISIs associated with the tuning curve can support a coefficient of variation of order unity.

Climbing to the top of the galactic mass ladder: evidence for frequent prolate-like rotation among the most massive galaxies

NASA Astrophysics Data System (ADS)

Krajnović, Davor; Emsellem, Eric; den Brok, Mark; Marino, Raffaella Anna; Schmidt, Kasper Borello; Steinmetz, Matthias; Weilbacher, Peter M.

2018-07-01

We present the stellar velocity maps of 25 massive early-type galaxies located in dense environments observed with MUSE. Galaxies are selected to be brighter than MK = -25.7 mag, reside in the core of the Shapley Super Cluster or be the brightest galaxy in clusters richer than the Virgo Cluster. We thus targeted galaxies more massive than 1012 M⊙ and larger than 10 kpc (half-light radius). The velocity maps show a large variety of kinematic features: oblate-like regular rotation, kinematically distinct cores, and various types of non-regular rotation. The kinematic misalignment angles show that massive galaxies can be divided into two categories: those with small or negligible misalignment and those with misalignment consistent with being 90°. Galaxies in this latter group, comprising just under half of our galaxies, have prolate-like rotation (rotation around the major axis). Among the brightest cluster galaxies the incidence of prolate-like rotation is 50 per cent, while for a magnitude limited sub-sample of objects within the Shapley Super Cluster (mostly satellites), 35 per cent of galaxies show prolate-like rotation. Placing our galaxies on the mass-size diagram, we show that they all fall on a branch extending almost an order of magnitude in mass and a factor of 5 in size from the massive end of galaxies, previously recognized as associated with major dissipation-less mergers. The presence of galaxies with complex kinematics and, particularly, prolate-like rotators suggests, according to current numerical simulations, that the most massive galaxies grow predominantly through dissipation-less equal-mass mergers.

Climbing to the top of the galactic mass ladder: evidence for frequent prolate-like rotation among the most massive galaxies

NASA Astrophysics Data System (ADS)

Krajnović, Davor; Emsellem, Eric; den Brok, Mark; Marino, Raffaella Anna; Schmidt, Kasper Borello; Steinmetz, Matthias; Weilbacher, Peter M.

2018-04-01

We present the stellar velocity maps of 25 massive early-type galaxies located in dense environments observed with MUSE. Galaxies are selected to be brighter than MK = -25.7 magnitude, reside in the core of the Shapley Super Cluster or be the brightest galaxy in clusters richer than the Virgo Cluster. We thus targeted galaxies more massive than 1012 M⊙ and larger than 10 kpc (half-light radius). The velocity maps show a large variety of kinematic features: oblate-like regular rotation, kinematically distinct cores and various types of non-regular rotation. The kinematic misalignment angles show that massive galaxies can be divided into two categories: those with small or negligible misalignment, and those with misalignment consistent with being 90°. Galaxies in this latter group, comprising just under half of our galaxies, have prolate-like rotation (rotation around the major axis). Among the brightest cluster galaxies the incidence of prolate-like rotation is 50 per cent, while for a magnitude limited sub-sample of objects within the Shapley Super Cluster (mostly satellites), 35 per cent of galaxies show prolate-like rotation. Placing our galaxies on the mass - size diagram, we show that they all fall on a branch extending almost an order of magnitude in mass and a factor of 5 in size from the massive end of galaxies, previously recognised as associated with major dissipation-less mergers. The presence of galaxies with complex kinematics and, particularly, prolate-like rotators suggests, according to current numerical simulations, that the most massive galaxies grow predominantly through dissipation-less equal-mass mergers.

THE NEXT GENERATION VIRGO CLUSTER SURVEY. VI. THE KINEMATICS OF ULTRA-COMPACT DWARFS AND GLOBULAR CLUSTERS IN M87

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

Zhang, Hong-Xin; Peng, Eric W.; Li, Biao

2015-03-20

The origin of ultra-compact dwarfs (UCDs; r{sub h} ≳ 10 pc)—objects larger and more massive than typical globular clusters (GCs), but more compact than typical dwarf galaxies—has been hotly debated in the 15 years since their discovery. Even whether UCDs should be considered galactic in origin, or simply the most extreme star clusters, is not yet settled. We present the dynamical properties of 97 spectroscopically confirmed UCDs and 911 GCs associated with the central cD galaxy of the Virgo cluster, M87. Our UCDs, of which 89% have M {sub *} ≳ 2× 10{sup 6} M {sub ☉} and 92% are as blue asmore » the classic blue GCs, nearly triple the confirmed sample of Virgo UCDs, providing by far the best opportunity for studying global dynamics of a UCD system. We found that (1) UCDs have a surface number density profile that is shallower than that of blue GCs in the inner ∼70 kpc and as steep as that of red GCs at larger radii; (2) UCDs exhibit a significantly stronger rotation than GCs, and blue GCs seem to have a velocity field that is more consistent with that of the surrounding dwarf ellipticals than with that of UCDs; (3) UCDs have an orbital anisotropy profile that is tangentially biased at radii ≲40 kpc and radially biased farther out, whereas blue GCs become more tangentially biased at larger radii beyond ∼40 kpc; (4) GCs with M {sub *} ≳ 2 × 10{sup 6} M {sub ☉} have rotational properties indistinguishable from the less massive ones, suggesting that it is the size, instead of mass, that differentiates UCDs from GCs as kinematically distinct populations. We conclude that most UCDs in M87 are not consistent with being merely the most luminous and extended examples of otherwise normal GCs. The radially biased orbital structure of UCDs at large radii is in general agreement with the 'tidally threshed dwarf galaxy' scenario.« less

The dwarf galaxy population of nearby galaxy clusters

NASA Astrophysics Data System (ADS)

Lisker, Thorsten; Wittmann, Carolin; Pak, Mina; Janz, Joachim; Bialas, Daniel; Peletier, Reynier; Grebel, Eva; Falcon Barroso, Jesus; Toloba, Elisa; Smakced Collaboration, Focus Collaboration

2015-01-01

The Fornax, Virgo, Ursa Major and Perseus galaxy clusters all have very different characteristics, in terms of their density, mass, and large-scale environment. We can regard these clusters as laboratories for studying environmental influence on galaxy evolution, using the sensitive low-mass galaxies as probes for external mechanisms. Here we report on recent and ongoing observational studies of the said clusters with imaging and spectroscopy, as well as on the interpretation of present-day cluster galaxy populations with the aid of cosmological simulations.Multicolor imaging data allow us to identify residual star formation in otherwise red early-type dwarf galaxies, which hold clues to the strength of gas stripping processes. Major-axis spectra and 2D kinematical maps provide insight regarding the amount of rotational support and how much dynamical heating a dwarf galaxy may have experienced. To this end, dedicated N-body simulations that follow the evolution of galaxies since early epochs reveal their path through parameter space, and can be compared to observations in order to understand the time-integrated effect of environmental influence.

M Dwarf Rotation from the K2 Young Clusters to the Field. I. A Mass-Rotation Correlation at 10 Myr

NASA Astrophysics Data System (ADS)

Somers, Garrett; Stauffer, John; Rebull, Luisa; Cody, Ann Marie; Pinsonneault, Marc

2017-12-01

Recent observations of the low-mass (0.1-0.6 {M}⊙ ) rotation distributions of the Pleiades and Praesepe clusters have revealed a ubiquitous correlation between mass and rotation, such that late M dwarfs rotate an order-of-magnitude faster than early M dwarfs. In this paper, we demonstrate that this mass-rotation correlation is present in the 10 Myr Upper Scorpius association, as revealed by new K2 rotation measurements. Using rotational evolution models, we show that the low-mass rotation distribution of the 125 Myr Pleiades cluster can only be produced if it hosted an equally strong mass-rotation correlation at 10 Myr. This suggests that physical processes important in the early pre-main sequence (PMS; star formation, accretion, disk-locking) are primarily responsible for the M dwarf rotation morphology, and not quirks of later angular momentum (AM) evolution. Such early mass trends must be taken into account when constructing initial conditions for future studies of stellar rotation. Finally, we show that the average M star loses ˜25%-40% of its AM between 10 and 125 Myr, a figure accurately and generically predicted by modern solar-calibrated wind models. Their success rules out a lossless PMS and validates the extrapolation of magnetic wind laws designed for solar-type stars to the low-mass regime at early times.

Kinetics of motility-induced phase separation and swim pressure

NASA Astrophysics Data System (ADS)

Patch, Adam; Yllanes, David; Marchetti, M. Cristina

Active Brownian particles (ABPs) represent a minimal model of active matter consisting of self-propelled spheres with purely repulsive interactions and rotational noise. We correlate the time evolution of the mean pressure towards its steady state value with the kinetics of motility-induced phase separation. For parameter values corresponding to phase separated steady states, we identify two dynamical regimes. The pressure grows monotonically in time during the initial regime of rapid cluster formation, overshooting its steady state value and then quickly relaxing to it, and remains constant during the subsequent slower period of cluster coalescence and coarsening. The overshoot is a distinctive feature of active systems. NSF-DMR-1305184, NSF-DGE-1068780, ACI-1341006, FIS2015-65078-C02, BIFI-ZCAM.

Water clusters in amorphous pharmaceuticals.

PubMed

Authelin, Jean-Rene; MacKenzie, Alan P; Rasmussen, Don H; Shalaev, Evgenyi Y

2014-09-01

Amorphous materials, although lacking the long-range translational and rotational order of crystalline and liquid crystalline materials, possess certain local (short-range) structure. This paper reviews the distribution of one particular component present in all amorphous pharmaceuticals, that is, water. Based on the current understanding of the structure of water, water molecules can exist in either unclustered form or as aggregates (clusters) of different sizes and geometries. Water clusters are reported in a range of amorphous systems including carbohydrates and their aqueous solutions, synthetic polymers, and proteins. Evidence of water clustering is obtained by various methods that include neutron and X-ray scattering, molecular dynamics simulation, water sorption isotherm, concentration dependence of the calorimetric Tg , dielectric relaxation, and nuclear magnetic resonance. A review of the published data suggests that clustering depends on water concentration, with unclustered water molecules existing at low water contents, whereas clusters form at intermediate water contents. The transition from water clusters to unclustered water molecules can be expected to change water dependence of pharmaceutical properties, such as rates of degradation. We conclude that a mechanistic understanding of the impact of water on the stability of amorphous pharmaceuticals would require systematic studies of water distribution and clustering, while such investigations are lacking. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

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

Barnes, Sydney A.; Weingrill, Joerg; Fritzewski, Dario

We report rotation periods for 20 cool (FGK) main sequence member stars of the 4 Gyr-old open cluster M67 (=NGC 2682), obtained by analyzing data from Campaign 5 of the K2 mission with the Kepler Space Telescope . The rotation periods delineate a sequence in the color–period diagram (CPD) of increasing period with redder color. This sequence represents a cross-section at the cluster age of the surface P = P ( t , M ), suggested in prior work to extend to at least solar age. The current Sun is located marginally (approximately 1 σ ) above M67 in themore » CPD, as its relative age leads us to expect, and lies on the P = P ( t , M ) surface to within measurement precision. We therefore conclude that the solar rotation rate is normal as compared with cluster stars, a fact that strengthens the solar–stellar connection. The agreement between the M67 rotation period measurements and prior predictions further implies that rotation periods, especially when coupled with appropriate supporting work such as spectroscopy, can provide reliable ages via gyrochronology for other similar FGK dwarfs from the early main sequence to solar age and likely until the main sequence turnoff. The M67 rotators have a rotational age of 4.2 Gyr with a standard deviation of 0.7 Gyr, implying that similar field stars can be age-dated to precisions of ∼17%. The rotational age of the M67 cluster as a whole is therefore 4.2 Gyr, but with a lower (averaged) uncertainty of 0.2 Gyr.« less

A diagnostic for determining the quality of single-reference electron correlation methods

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Taylor, Peter R.

1989-01-01

It was recently proposed that the Euclidian norm of the t(sub 1) vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appopriate. This diagnostic, T(sub 1) is defined for use with self-consistent-field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T(sub 1) is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of non-dynamical electron correlation and is far superior to C(sub 0) from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T(sub 1) (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

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

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

Covey, Kevin R.; Agüeros, Marcel A.; Liu, Jiyu

2016-05-10

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

Rotation Period of Blanco 1 Members from KELT Light Curves: Comparing Rotation-Ages to Various Stellar Chronometers at 100 Myr

NASA Astrophysics Data System (ADS)

Cargile, Phillip; James, D. J.; Pepper, J.; Kuhn, R.; Siverd, R. J.; Stassun, K. G.

2012-01-01

The age of a star is one of its most fundamental properties, and yet tragically it is also the one property that is not directly measurable in observations. We must therefore rely on age estimates based on mostly model-dependent or empirical methods. Moreover, there remains a critical need for direct comparison of different age-dating techniques using the same stars analyzed in a consistent fashion. One chronometer commonly being employed is using stellar rotation rates to measure stellar ages, i.e., gyrochronology. Although this technique is one of the better-understood chronometers, its calibration relies heavily on the solar datum, as well as benchmark open clusters with reliable ages, and also lacks a comprehensive comparative analysis to other stellar chronometers. The age of the nearby (? pc) open cluster Blanco 1 has been estimated using various techniques, including being one of only 7 clusters with an LDB age measurement, making it a unique and powerful comparative laboratory for stellar chronometry, including gyrochronology. Here, we present preliminary results from our light-curve analysis of solar-type stars in Blanco 1 in order to identify and measure rotation periods of cluster members. The light-curve data were obtained during the engineering and calibration phase of the KELT-South survey. The large area on the sky and low number of contaminating field stars makes Blanco 1 an ideal target for the extremely wide field and large pixel scale of the KELT telescope. We apply a period-finding technique using the Lomb-Scargle periodogram and FAP statistics to measure significant rotation periods in the KELT-South light curves for confirmed Blanco 1 members. These new rotation periods allow us to test and inform rotation evolution models for stellar ages at ? Myr, determining a rotation-age for Blanco 1 using gyrochronology, and compare this rotation-age to other age measurements for this cluster.

Structure and Symmetry of Ground States of Colloidal Clusters

NASA Astrophysics Data System (ADS)

Klein, Ellen D.; Rogers, W. Benjamin; Manoharan, Vinothan N.

We experimentally study colloidal clusters consisting of 6 to 100 spherical particles bound together with short range, DNA-mediated attractions. These clusters are a model system for understanding colloidal self-assembly and dynamics, since the positions and motion of all particles can be observed in real space. For 10 particles and fewer, the ground states are degenerate, and, as shown in previous work, the probabilities of observing specific clusters depend primarily on their rotational entropy, which is determined by symmetry. Thus less symmetric structures are more frequently observed. However, for larger numbers of particles the ground states appear to be subsets of close-packed lattices, which tend to have higher symmetry. To understand how this transition occurs as a function of the number of particles, we coat colloidal particles with complementary DNA strands that induce a short-range, temperature-dependent interparticle attraction. We then assemble and anneal an ensemble of clusters with 10 or more particles. We characterize the number of apparent ground states, their symmetries, and their probabilities as a function of the size of the cluster using confocal microscopy. This work is supported by NSF DMR-1306410. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program.

Active turbulence in a gas of self-assembled spinners

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

Kokot, Gasper; Das, Shibananda; Winkler, Roland G.

Colloidal particles subject to an external periodic forcing exhibit complex collective behavior and self-assembled patterns. A dispersion of magnetic microparticles confined at the air-liquid interface and energized by a uniform uniaxial alternating magnetic field exhibits dynamic arrays of self-assembled spinners rotating in either direction. Here, we report on experimental and simulation studies of active turbulence and transport in a gas of self-assembled spinners. We show that the spinners, emerging as a result of spontaneous symmetry breaking of clock/counterclockwise rotation of self-assembled particle chains, generate vigorous vortical flows at the interface. An ensemble of spinners exhibits chaotic dynamics due to self-generatedmore » advection flows. The same-chirality spinners (clockwise or counterclock-wise) show a tendency to aggregate and form dynamic clusters. Emergent self-induced interface currents promote active diffusion that could be tuned by the parameters of the external excitation field. Furthermore, the erratic motion of spinners at the interface generates chaotic fluid flow reminiscent of 2D turbulence. As a result, our work provides insight into fundamental aspects of collective transport in active spinner materials and yields rules for particle manipulation at the microscale.« less

Active turbulence in a gas of self-assembled spinners

DOE PAGES

Kokot, Gasper; Das, Shibananda; Winkler, Roland G.; ...

2017-11-20

Colloidal particles subject to an external periodic forcing exhibit complex collective behavior and self-assembled patterns. A dispersion of magnetic microparticles confined at the air-liquid interface and energized by a uniform uniaxial alternating magnetic field exhibits dynamic arrays of self-assembled spinners rotating in either direction. Here, we report on experimental and simulation studies of active turbulence and transport in a gas of self-assembled spinners. We show that the spinners, emerging as a result of spontaneous symmetry breaking of clock/counterclockwise rotation of self-assembled particle chains, generate vigorous vortical flows at the interface. An ensemble of spinners exhibits chaotic dynamics due to self-generatedmore » advection flows. The same-chirality spinners (clockwise or counterclock-wise) show a tendency to aggregate and form dynamic clusters. Emergent self-induced interface currents promote active diffusion that could be tuned by the parameters of the external excitation field. Furthermore, the erratic motion of spinners at the interface generates chaotic fluid flow reminiscent of 2D turbulence. As a result, our work provides insight into fundamental aspects of collective transport in active spinner materials and yields rules for particle manipulation at the microscale.« less

Pre-main-sequence stars in the young cluster IC 2391

NASA Technical Reports Server (NTRS)

Stauffer, John; Hartmann, Lee W.; Jones, Burton F.; Mcnamara, Brian R.

1989-01-01

Seven or eight new, late-type members of the poor open cluster IC 2391 are identified, and membership is confirmed for two other stars. The new members fall approximately along a 3 x 10 to the 7th yr isochrone, which is the age estimated for the cluster on the basis of it super main-seqence turnoff. Echelle spectra were obtained for the most probable cluster members. Most show H-alpha in emission and a strong Li 6707 A absorption line, and a few are rapid rotators. The Li abundances for cluster stars cooler than the sun are considerably less than the primordial Li abundance, providing the first direct evidence for substantial premain-sequence Li burning. The rotational velocities show a range from about 15 to 150 km/s, with a distribution of rotational velocities not significantly different from that observed for low-mass stars in the Pleiades.

Micro-flock patterns and macro-clusters in chiral active Brownian disks

NASA Astrophysics Data System (ADS)

Levis, Demian; Liebchen, Benno

2018-02-01

Chiral active particles (or self-propelled circle swimmers) feature a rich collective behavior, comprising rotating macro-clusters and micro-flock patterns which consist of phase-synchronized rotating clusters with a characteristic self-limited size. These patterns emerge from the competition of alignment interactions and rotations suggesting that they might occur generically in many chiral active matter systems. However, although excluded volume interactions occur naturally among typical circle swimmers, it is not yet clear if macro-clusters and micro-flock patterns survive their presence. The present work shows that both types of pattern do survive but feature strongly enhance fluctuations regarding the size and shape of the individual clusters. Despite these fluctuations, we find that the average micro-flock size still follows the same characteristic scaling law as in the absence of excluded volume interactions, i.e. micro-flock sizes scale linearly with the single-swimmer radius.

The Exoplanet Migration Timescale from K2 Young Clusters

NASA Astrophysics Data System (ADS)

Rizzuto, Aaron

A significant fraction of exoplanets orbit within 0.1 AU of their host star, with periods of <20 days. The discovery of these close-in planets has defied conventional models of planet formation and evolution based on our own solar system. It is widely accepted that these close-in planets did not form in such close proximity to their host stars (both rocky planets and hot Jupiters), but rather that dynamical or interactive processes caused them to migrate inwards from larger orbital semimajor axes and periods. There are multiple planet migration scenarios proposed in the literature, though it is unclear how much of the known planet population is attributable to each mechanism. Planetary migration models can be loosely divided into two categories: disk-driven migration and dynamical migration. Disk migration occurs over the lifetime of the protoplanetary disk (<5 Myr), while migration involving dynamical multi-body interactions operates on timescales of 100 Myr to 1Gyr, a lengthier process than disk migration. The K2 mission has measured planet formation timescales and migration pathways by sampling groups of stars at key ages. Over the past 10 campaigns, multiple groups of young stars have been observed by K2, ranging from the 10 Myr Upper Scorpius OB association, through the <120 Myr Pleiades cluster, to the ,600-800 Myr Hyades and Praesepe clusters. Upcoming data from more recent campaigns include the 2Myr Taurus region and significantly more Upper Scorpius members in C13 and 15. The frequency, orbital properties, and compositions of the exoplanet population in these samples of different age, with careful treatment of detection completeness, distinguish these scenarios of exoplanet migration as their host stars are settling onto the main sequence. We have pioneered efforts to identify transiting exoplanets in the K2 data for young clusters and moving groups, and have developed a new, highly complete, detrending algorithm for rotational induced variability that is commonly seen in the light curves of young, active stars (Rizzuto et al. in prep). We have identified 11 candidate planets in Praesepe, Hyades, Upper Sco, and the Pleiades using these methods, the first of which has now been published with follow-up (Mann et al. 2016abc; Gaidos et al. 2016). This sample of detected planet candidates gives a promising first indication of the timescale over which planet migration occurs, favoring dynamical multi-body processes. However, because rotational activity in young stars makes detection of exoplanet transits more difficult for the younger clusters (e.g, Upper Sco, Pleiades), to robustly prove that these frequencies are true representations of the short-period planet occurrence rate at different PMS ages will require robust determination of detection limits in these highly variable young-star lightcurves. We propose to address the question of planet migration with a uniform injection-recovery test of young cluster members, to robustly measure the detectability of planets of differing size and orbit. This will involve detrending the light curve data of instrumental and rotational systematics, injecting a synthetic transit signature from a grid of planetary and orbital parameters, reversing the detrending, and then executing our transit search pipeline (which is tuned for highly active young stars) and mapping the recovery rate as a function of planet parameters for every individual light curve. With this map of detectability as a function of planet properties for each light curve and a full program of detected exoplanet follow-up, we can then directly confirm any change in the occurrence rates of close-in (P<20 day) planets with cluster age and identify the most significant migration mechanism.

Central Rotations of Milky Way Globular Clusters

NASA Astrophysics Data System (ADS)

Fabricius, Maximilian H.; Noyola, Eva; Rukdee, Surangkhana; Saglia, Roberto P.; Bender, Ralf; Hopp, Ulrich; Thomas, Jens; Opitsch, Michael; Williams, Michael J.

2014-06-01

Most Milky Way globular clusters (GCs) exhibit measurable flattening, even if on a very low level. Both cluster rotation and tidal fields are thought to cause this flattening. Nevertheless, rotation has only been confirmed in a handful of GCs, based mostly on individual radial velocities at large radii. We are conducting a survey of the central kinematics of Galactic GCs using the new Integral Field Unit instrument VIRUS-W. We detect rotation in all 11 GCs that we have observed so far, rendering it likely that a large majority of the Milky Way GCs rotate. We use published catalogs of GCs to derive central ellipticities and position angles. We show that in all cases where the central ellipticity permits an accurate measurement of the position angle, those angles are in excellent agreement with the kinematic position angles that we derive from the VIRUS-W velocity fields. We find an unexpected tight correlation between central rotation and outer ellipticity, indicating that rotation drives flattening for the objects in our sample. We also find a tight correlation between central rotation and published values for the central velocity dispersion, most likely due to rotation impacting the old dispersion measurements. This Letter includes data taken at The McDonald Observatory of The University of Texas at Austin.

THE COLOR-PERIOD DIAGRAM AND STELLAR ROTATIONAL EVOLUTION-NEW ROTATION PERIOD MEASUREMENTS IN THE OPEN CLUSTER M34

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

Meibom, Soeren; Saar, Steven H.; Mathieu, Robert D.

2011-06-01

We present the results of a 5 month photometric time-series survey for stellar rotation periods combined with a 4 year radial-velocity survey for membership and binarity in the 220 Myr open cluster M34. We report surface rotation periods for 120 stars, 83 of which are kinematic and photometric late-type cluster members. A comparison to previous work serves to illustrate the importance of high-cadence long baseline photometric observations and membership information. The new M34 periods are less biased against slow rotation and cleaned for non-members. The rotation periods of the cluster members span over more than an order of magnitude frommore » 0.5 days up to 11.5 days, and trace two distinct rotational sequences-fast (C) and moderate-to-slow (I)-in the color-period diagram. The sequences represent two different states (fast and slow) in the rotational evolution of the late-type cluster members. We use the color-period diagrams for M34 and for younger and older clusters to estimate the timescale for the transition from the C to the I sequence and find {approx}<150 Myr, {approx}150-300 Myr, and {approx}300-600 Myr for G, early-mid K, and late K dwarfs, respectively. The small number of stars in the gap between C and I suggests a quick transition. We estimate a lower limit on the maximum spin-down rate (dP/dt) during this transition to be {approx}0.06 days Myr{sup -1} and {approx}0.08 days Myr{sup -1} for early and late K dwarfs, respectively. We compare the I sequence rotation periods in M34 and the Hyades for G and K dwarfs and find that K dwarfs spin down slower than the Skumanich {radical}t rate. We determine a gyrochronology age of 240 Myr for M34. The gyro-age has a small formal uncertainty of 2% which reflects the tight I sequence in the M34 color-period diagram. We measure the effect of cluster age uncertainties on the gyrochronology age for M34 and find the resulting error on the gyro-age to be consistent with the {approx}15% error estimate for the technique in general. We use the M34 I sequence to redetermine the coefficients in the expression for rotational dependence on color used in gyrochronology. Finally, we propose that stability in the phase, shape, and amplitude of the photometric variability for the 120 rotators over the {approx}5 month duration of our survey is due to spot generation at active stellar longitudes.« less

The lithium-rotation connection in the 125 Myr-old Pleiades cluster

NASA Astrophysics Data System (ADS)

Bouvier, J.; Barrado, D.; Moraux, E.; Stauffer, J.; Rebull, L.; Hillenbrand, L.; Bayo, A.; Boisse, I.; Bouy, H.; DiFolco, E.; Lillo-Box, J.; Calderón, M. Morales

2018-06-01

Context. The evolution of lithium abundance over a star's lifetime is indicative of transport processes operating in the stellar interior. Aims: We revisit the relationship between lithium content and rotation rate previously reported for cool dwarfs in the Pleiades cluster. Methods: We derive new LiI 670.8 nm equivalent width measurements from high-resolution spectra obtained for low-mass Pleiades members. We combine these new measurements with previously published ones, and use the Kepler K2 rotational periods recently derived for Pleiades cool dwarfs to investigate the lithium-rotation connection in this 125 Myr-old cluster. Results: The new data confirm the correlation between lithium equivalent width and stellar spin rate for a sample of 51 early K-type members of the cluster, where fast rotating stars are systematically lithium-rich compared to slowly rotating ones. The correlation is valid for all stars over the (J-Ks) color range 0.50-0.70 mag, corresponding to a mass range from about 0.75 to 0.90 M⊙, and may extend down to lower masses. Conclusions: We argue that the dispersion in lithium equivalent widths observed for cool dwarfs in the Pleiades cluster reflects an intrinsic scatter in lithium abundances, and suggest that the physical origin of the lithium dispersion pattern is to be found in the pre-main sequence rotational history of solar-type stars. Based on observations made at Observatoire de Haute Provence (CNRS), France, at the Nordic Optical Telescope (IAC), Spain, and at the W. M. Keck Observatory, Hawaii, USA.Full Table B.1 is only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/613/A63

Infant perception of the rotating Kanizsa square.

PubMed

Yoshino, Daisuke; Idesawa, Masanori; Kanazawa, So; Yamaguchi, Masami K

2010-04-01

This study examined the perception of the rotating Kanizsa square by using a fixed-trial familiarization method. If the Kanizsa square is rotated across the pacmen, adult observers perceive not only a rotating illusory square, but also an illusory expansion/contraction motion of this square. The phenomenon is called a "rotational dynamic illusion". In experiments 1 and 2, we investigated whether infants perceived the rotational dynamic illusion, finding that 3-8-month-old infants perceived the rotational dynamic illusion as a simple rotation of the Kanizsa square. In experiment 3, we investigated whether infants perceived the rotational dynamic illusion as a rotation of the Kanizsa square or as a deformation of shape, finding that 3-4-month-old infants did perceive the rotational dynamic illusion as a rotation of the Kanizsa square. Our results show that while 3-8-month-old infants perceive the rotating Kanizsa square, however, it is difficult for the infants to extract expansion/contraction motion from the rotational dynamic illusion. Copyright 2010 Elsevier Inc. All rights reserved.

Multiple stellar populations in Magellanic Cloud clusters - VI. A survey of multiple sequences and Be stars in young clusters

NASA Astrophysics Data System (ADS)

Milone, A. P.; Marino, A. F.; Di Criscienzo, M.; D'Antona, F.; Bedin, L. R.; Da Costa, G.; Piotto, G.; Tailo, M.; Dotter, A.; Angeloni, R.; Anderson, J.; Jerjen, H.; Li, C.; Dupree, A.; Granata, V.; Lagioia, E. P.; Mackey, A. D.; Nardiello, D.; Vesperini, E.

2018-06-01

The split main sequences (MSs) and extended MS turnoffs (eMSTOs) detected in a few young clusters have demonstrated that these stellar systems host multiple populations differing in a number of properties such as rotation and, possibly, age. We analyse Hubble Space Telescope photometry for 13 clusters with ages between ˜40 and ˜1000 Myr and of different masses. Our goal is to investigate for the first time the occurrence of multiple populations in a large sample of young clusters. We find that all the clusters exhibit the eMSTO phenomenon and that MS stars more massive than ˜1.6 M_{⊙} define a blue and a red MS, with the latter hosting the majority of MS stars. The comparison between the observations and isochrones suggests that the blue MSs are made of slow-rotating stars, while the red MSs host stars with rotational velocities close to the breakup value. About half of the bright MS stars in the youngest clusters are H α emitters. These Be stars populate the red MS and the reddest part of the eMSTO, thus supporting the idea that the red MS is made of fast rotators. We conclude that the split MS and the eMSTO are a common feature of young clusters in both Magellanic Clouds. The phenomena of a split MS and an eMSTO occur for stars that are more massive than a specific threshold, which is independent of the host-cluster mass. As a by-product, we report the serendipitous discovery of a young Small Magellanic Cloud cluster, GALFOR 1.

Discovery of Extended Main-sequence Turnoffs in Four Young Massive Clusters in the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Li, Chengyuan; de Grijs, Richard; Deng, Licai; Milone, Antonino P.

2017-08-01

An increasing number of young massive clusters (YMCs) in the Magellanic Clouds have been found to exhibit bimodal or extended main sequences (MSs) in their color-magnitude diagrams (CMDs). These features are usually interpreted in terms of a coeval stellar population with different stellar rotational rates, where the blue and red MS stars are populated by non- (or slowly) and rapidly rotating stellar populations, respectively. However, some studies have shown that an age spread of several million years is required to reproduce the observed wide turnoff regions in some YMCs. Here we present the ultraviolet-visual CMDs of four Large and Small Magellanic Cloud YMCs, NGC 330, NGC 1805, NGC 1818, and NGC 2164, based on high-precision Hubble Space Telescope photometry. We show that they all exhibit extended main-sequence turnoffs (MSTOs). The importance of age spreads and stellar rotation in reproducing the observations is investigated. The observed extended MSTOs cannot be explained by stellar rotation alone. Adopting an age spread of 35-50 Myr can alleviate this difficulty. We conclude that stars in these clusters are characterized by ranges in both their ages and rotation properties, but the origin of the age spread in these clusters remains unknown.

Simulating Asymmetric Top Impurities in Superfluid Clusters: A para-Water Dopant in para-Hydrogen.

PubMed

Zeng, Tao; Li, Hui; Roy, Pierre-Nicholas

2013-01-03

We present the first simulation study of bosonic clusters doped with an asymmetric top molecule. The path-integral Monte Carlo method with the latest methodological advance in treating rigid-body rotation [Noya, E. G.; Vega, C.; McBride, C. J. Chem. Phys.2011, 134, 054117] is employed to study a para-water impurity in para-hydrogen clusters with up to 20 para-hydrogen molecules. The growth pattern of the doped clusters is similar in nature to that of pure clusters. The para-water molecule appears to rotate freely in the cluster. The presence of para-water substantially quenches the superfluid response of para-hydrogen with respect to the space-fixed frame.

Anomalous Galactic Dynamics by Collusion of Rindler and Cosmological Horizons

NASA Astrophysics Data System (ADS)

van Putten, Maurice H. P. M.

2017-03-01

In holography, the dimensional reduction of phase space to two dimensions defines a dynamical dark energy of {{Λ }}=(1-q){H}2, associated with the cosmological horizon at a Hubble radius of {R}H=c/H, and inertia m of baryonic matter at acceleration α in terms of a thermodynamic potential U={{mc}}2 of Rindler horizons at ξ ={c}2/α . Here, H is the Hubble parameter with deceleration q and c is the velocity of light. In weak gravity, m drops below Newton’s value m 0 as α < {a}H, when Rindler horizons fall beyond the cosmological horizon. The onset to weak gravity across α ={a}H is sharp by causality. Striking evidence is found in galaxy rotation curves, whose asymptotic dynamics is parameterized by Milgrom’s scale of acceleration {a}0=({cH}/2π )\\sqrt{1-q}. This onset presents a new challenge for canonical dark matter distributions on galactic scales in ΛCDM. Instead, future galaxy surveys may determine {Q}0={{dq}(z)/{dz}| }z=0, to provide a direct test of dynamical dark energy ({Q}0> 2.5) versus ΛCDM ({Q}0< 1) and establish a bound of {10}-30 {{eV}} on the mass of the putative dark matter particle with clustering limited to galaxy clusters.

Structure and dynamics of acetate anion-based ionic liquids from molecular dynamics study

NASA Astrophysics Data System (ADS)

Chandran, Aneesh; Prakash, Karthigeyan; Senapati, Sanjib

2010-08-01

Acetate anion-based ionic liquids (ILs) have found wide range of applications. The microstructure and dynamics of this IL family have not been clearly understood yet. We report molecular dynamics simulation results of three acetate anion-based ionic liquids that encompass the most common IL cations. Simulations are performed based on a set of proposed force field parameters for IL acetate anion which can be combined with existing parameters for IL cations to simulate large variety of ILs. The computed liquid density and IR spectral data for [BMIM][Ac] are found to match very well with available experimental results. The strong amino-group-associated interactions in [TMG][Ac] are seen to bring about higher cohesive energy density, stronger ion packing, and more restricted translational and rotational mobilities of the constituent ions. The IL anions are found to track the cation movements in all systems, implying that ions in ILs travel in pairs or clusters.

A Massive Star Census of the Starburst Cluster R136

NASA Astrophysics Data System (ADS)

Crowther, Paul

2011-10-01

We propose to carry out a comprehensive census of the most massive stars in the central parsec {4"} of the starburst cluster, R136, which powers the Tarantula Nebula in the LMC. R136 is both sufficiently massive that the upper mass function is richly populated and young enough that its most massive stars have yet to explode as supernovae. The identification of very massive stars in R136, up to 300 solar masses, raises general questions of star formation, binarity and feedback in young massive clusters. The proposed STIS spectral survey of 36 stars more massive than 50 solar masses within R136 is ground-breaking, of legacy value, and is specifically tailored to a} yield physical properties; b} detect the majority of binaries by splitting observations between Cycles 19 and 20; c} measure rotational velocities, relevant for predictions of rotational mixing; d} quantify mass-loss properties for very massive stars; e} determine surface compositions; f} measure radial velocities, relevant for runaway stars and cluster dynamics; g} quantify radiative and mechanical feedback. This census will enable the mass function of very massive stars to be measured for the first time, as a result of incomplete and inadequate spectroscopy to date. It will also perfectly complement our Tarantula Survey, a ground-based VLT Large Programme, by including the most massive stars that are inaccessible to ground-based visual spectroscopy due to severe crowding. These surveys, together with existing integrated UV and optical studies will enable 30 Doradus to serve as a bona-fide template for unresolved extragalactic starburst regions.

A Massive Star Census of the Starburst Cluster R136

NASA Astrophysics Data System (ADS)

Crowther, Paul

2012-10-01

We propose to carry out a comprehensive census of the most massive stars in the central parsec {4"} of the starburst cluster, R136, which powers the Tarantula Nebula in the LMC. R136 is both sufficiently massive that the upper mass function is richly populated and young enough that its most massive stars have yet to explode as supernovae. The identification of very massive stars in R136, up to 300 solar masses, raises general questions of star formation, binarity and feedback in young massive clusters. The proposed STIS spectral survey of 36 stars more massive than 50 solar masses within R136 is ground-breaking, of legacy value, and is specifically tailored to a} yield physical properties; b} detect the majority of binaries by splitting observations between Cycles 19 and 20; c} measure rotational velocities, relevant for predictions of rotational mixing; d} quantify mass-loss properties for very massive stars; e} determine surface compositions; f} measure radial velocities, relevant for runaway stars and cluster dynamics; g} quantify radiative and mechanical feedback. This census will enable the mass function of very massive stars to be measured for the first time, as a result of incomplete and inadequate spectroscopy to date. It will also perfectly complement our Tarantula Survey, a ground-based VLT Large Programme, by including the most massive stars that are inaccessible to ground-based visual spectroscopy due to severe crowding. These surveys, together with existing integrated UV and optical studies will enable 30 Doradus to serve as a bona-fide template for unresolved extragalactic starburst regions.

Photometric light curves for seven rapidly-rotating K dwarfs in the Pleiades and Alpha Persei clusters

NASA Technical Reports Server (NTRS)

Stauffer, John R.; Schild, Rudolph A.; Baliunas, Sallie L.; Africano, John L.

1987-01-01

Light curves and period estimates were obtained for several Pleiades and Alpha Persei cluster K dwarfs which were identified as rapid rotators in earlier spectroscopic studies. A few of the stars have previously-published light curves, making it possible to study the long-term variability of the light-curve shapes. The general cause of the photometric variability observed for these stars is an asymmetric distribution of photospheric inhomogeneities (starspots). The presence of these inhomogeneities combined with the rotation of the star lead to the light curves observed. The photometric periods derived are thus identified with the rotation period of the star, making it possible to estimate equatorial rotational velocities for these K dwarfs. These data are of particular importance because the clusters are sufficiently young that stars of this mass should have just arrived on the main sequence. These data could be used to estimate the temperatures and sizes of the spot groups necessary to produce the observed light curves for these stars.

Evolutionary models of rotating dense stellar systems: challenges in software and hardware

NASA Astrophysics Data System (ADS)

Fiestas, Jose

2016-02-01

We present evolutionary models of rotating self-gravitating systems (e.g. globular clusters, galaxy cores). These models are characterized by the presence of initial axisymmetry due to rotation. Central black hole seeds are alternatively included in our models, and black hole growth due to consumption of stellar matter is simulated until the central potential dominates the kinematics in the core. Goal is to study the long-term evolution (~ Gyr) of relaxed dense stellar systems, which deviate from spherical symmetry, their morphology and final kinematics. With this purpose, we developed a 2D Fokker-Planck analytical code, which results we confirm by detailed N-Body techniques, applying a high performance code, developed for GPU machines. We compare our models to available observations of galactic rotating globular clusters, and conclude that initial rotation modifies significantly the shape and lifetime of these systems, and can not be neglected in studying the evolution of globular clusters, and the galaxy itself.

Massive Star Clusters in Ongoing Galaxy Interactions: Clues to Cluster Formation

NASA Astrophysics Data System (ADS)

Keel, William C.; Borne, Kirk D.

2003-09-01

We present HST WFPC2 observations, supplemented by ground-based Hα data, of the star-cluster populations in two pairs of interacting galaxies selected for being in very different kinds of encounters seen at different stages. Dynamical information and n-body simulations provide the details of encounter geometry, mass ratio, and timing. In NGC 5752/4 we are seeing a weak encounter, well past closest approach, after about 2.5×108 yr. The large spiral NGC 5754 has a normal population of disk clusters, while the fainter companion NGC 5752 exhibits a rich population of luminous clusters with a flatter luminosity function. The strong, ongoing encounter in NGC 6621/2, seen about 1.0×108 yr past closest approach between roughly equal-mass galaxies, has produced an extensive population of luminous clusters, particularly young and luminous in a small region between the two nuclei. This region is dynamically interesting, with such a strong perturbation in the velocity field that the rotation curve reverses sign. From these results, in comparison with other strongly interacting systems discussed in the literature, cluster formation requires a threshold level of perturbation, with stage of the interaction a less important factor. The location of the most active star formation in NGC 6621/2 draws attention to a possible role for the Toomre stability threshold in shaping star formation in interacting galaxies. The rich cluster populations in NGC 5752 and NGC 6621 show that direct contact between gas-rich galaxy disks is not a requirement to form luminous clusters and that they can be triggered by processes happening within a single galaxy disk (albeit triggered by external perturbations). Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.

Photometry and spectroscopy in the open cluster Alpha Persei, 2

NASA Technical Reports Server (NTRS)

Prosser, Charles F.

1993-01-01

Results from a combination of new spectroscopic and photometric observations in the lower main-sequence and pre-main sequence of the open cluster alpha Persei are presented. New echelle spectroscopy has provided radial and rotational velocity information for thirteen candidate members, three of which are nonmembers based on radial velocity, absence of a Li 6707A feature, and absence of H-alpha emission. A set of revised rotational velocity estimates for several slowly rotating candidates identified earlier is given, yielding rotational velocities as low as 7 km/s for two apparent cluster members. VRI photometry for several pre-main sequence members is given; the new (V,V-I(sub K)) photometry yields a more clearly defined pre-main sequence. A list of approximately 43 new faint candidate members based on the (V,V-I(sub K)) CCD photometry is presented in an effort to identify additional cluster members at very low masses. Low-dispersion spectra obtained for several of these candidates provide in some cases supporting evidence for cluster membership. The single brown dwarf candidate in this cluster is for the first time placed in a color-magnitude diagram with other cluster members, providing a better means for establishing its true status. Stars from among the list of new photometric candidates may provide the means for establishing a sequence of cluster members down to very faint magnitudes (V approximately 21) and consequently very low masses. New coordinate determinations for previous candidate members and finding charts for the new photometric candidates are provided in appendices.

KmL3D: a non-parametric algorithm for clustering joint trajectories.

PubMed

Genolini, C; Pingault, J B; Driss, T; Côté, S; Tremblay, R E; Vitaro, F; Arnaud, C; Falissard, B

2013-01-01

In cohort studies, variables are measured repeatedly and can be considered as trajectories. A classic way to work with trajectories is to cluster them in order to detect the existence of homogeneous patterns of evolution. Since cohort studies usually measure a large number of variables, it might be interesting to study the joint evolution of several variables (also called joint-variable trajectories). To date, the only way to cluster joint-trajectories is to cluster each trajectory independently, then to cross the partitions obtained. This approach is unsatisfactory because it does not take into account a possible co-evolution of variable-trajectories. KmL3D is an R package that implements a version of k-means dedicated to clustering joint-trajectories. It provides facilities for the management of missing values, offers several quality criteria and its graphic interface helps the user to select the best partition. KmL3D can work with any number of joint-variable trajectories. In the restricted case of two joint trajectories, it proposes 3D tools to visualize the partitioning and then export 3D dynamic rotating-graphs to PDF format. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Internal Dynamics and Chiral Analysis of Pulegone, Using Microwave Broadband Spectroscopy

NASA Astrophysics Data System (ADS)

Krin, Anna; Perez, Cristobal; Schnell, Melanie; Quesada-Moreno, María del Mar; López-González, Juan Jesús; Avilés-Moreno, Juan Ramón; Pinacho, Pablo; Blanco, Susana; Lopez, Juan Carlos

2017-06-01

Essential oils, such as peppermint or pennyroyal oil, are widely used in medicine, pharmacology and cosmetics. Their major constituents, terpenes, are mostly chiral molecules and thus may exhibit different biological functionality with respect to their enantiomers. Here, we present recent results on the enantiomers of pulegone, one of the components of the peppermint (Mentha piperita L.) and pennyroyal (Mentha pulegium) essential oils, using the microwave three-wave mixing (M3WM) technique. M3WM relies on the fact that the scalar triple product of the dipole moment components μ_{a}, μ_{b} and μ_{c} differs in sign between the enantiomers. A loop of three dipole-allowed rotational transitions is required for the analysis of a chiral molecule. Since the recorded signal will be exactly out of phase for the two enantiomers, an unambiguous differentiation between them is possible, even in complex mixtures. In addition to the chiral analysis of pulegone, its internal dynamics, resulting from the independent rotation of two of its three methyl groups, will be discussed. Moreover, a cluster of pulegone with one water molecule will be presented.

Five Spectroscopic Categories of O-Type Candidate GRB Progenitors

NASA Astrophysics Data System (ADS)

Walborn, Nolan R.; Rojas-Montes, Eliceth; Evans, Chris J.; Maíz Apellániz, Jesús; Wade, Gregg A.

2013-06-01

Five categories of peculiar O-type stars in the Galaxy and Magellanic Clouds that each combine three or four of the canonical GRB properties of magnetic fields, high mass, rarity, rapid rotation, and runaway space motions are displayed. (1) The Of?p stars were initially isolated as a peculiar spectroscopic category which was later found to undergo spectacular periodic variations; they are now understood as the most massive oblique magnetic rotators. All five Galactic members plus two related objects now have magnetic field detections, including one of 20 kG, with rotational periods ranging from a week to >50 yrs. There are also three spectroscopic members in the MCs, for which magnetic observations remain to be undertaken. (2) The ONn stars are rapidly rotating, nitrogen-rich, late-O giants at least several of which are runaways. (3) The Onfp stars are another category first described in terms of certain spectral peculiarities; they are now known to be massive, evolved rapid rotators with strong winds, which theoretically should not exist in the single-star regime. Many are in binary systems, perhaps spun up by mass transfer, while others may be mergers, and at least some are runaways. This category calls into question the assumption that GRBs can occur only at low metallicity where weaker winds allow high rotation to be preserved in evolved objects. (4) A population of young extreme rotators, including the two most rapid known at v sin i of 600 km/sec, lies at the peripheries of the 30 Doradus ionizing clusters. Peculiar radial velocities as well as their locations support an ejection hypothesis, currently under further investigation by means of proper motions. (5) At least two extremely massive O2 stars have also been ejected from 30 Doradus, most likely by dynamical processes since there have not yet been any SN in the dense central cluster R136. Presumably all of these stars must reach LBV and/or WR stages before collapsing, so they are not immediate GRB progenitors, but rather their precursors that provide information about their origins.

VizieR Online Data Catalog: NGC 2264, NGC 2547 and NGC 2516 stellar radii (Jackson+, 2016)

NASA Astrophysics Data System (ADS)

Jackson, R. J.; Jeffries, R. D.; Randich, S.; Bragaglia, A.; Carraro, G.; Costado, M. T.; Flaccomio, E.; Lanzafame; Lardo, C.; Monaco, L.; Morbidelli, L.; Smiljanic, R.; Zaggia, S.

2015-11-01

File Table1.dat contains Photometric and spectroscopic data of GES Survey targets in clusters in NGC 2547, NGC 2516, NGC 22264 downloaded from the Edinburugh GES archive (http://ges/roe.ac.uk/) . Photometric data comprised the (Cousins) I magnitude and 2MASS J, H and K magnitudes. Spectroscopic data comprises the signal to noise ratio, S/N of the target spectrum, the radial velocity, RV (in km/s), the projected equatorial velocity, vsini (in km/s), the number of separate observations co-added to produce the target spectrum and the log of effective temperature (logTeff) of the template spectrum fitted to measure RV and vsini. The absolute precision in RV, pRV (in km/s) and relative precision vsini (pvsini) were estimated, as a function of the logTeff, vsini and S/N, using the prescription described in Jackson et al. (2015A&A...580A..75J, Cat. J/A+A/580/A75). File Table3.dat contains measured and calculated properties of cluster targets with resolved vsini and a reported rotation period. The cluster name, right ascension, RA (deg) and declination, Dec (deg) are given for targets with measured periods given in the literature. Dynamic properties comprise: the radial velocity, RV (in km/s), the absolute precision in RV, pRV (km/s), the projected equatorial velocity, vsini (in km/s), the relative precision in vsini (pvsini) and the rotational period (in days). Also shown are values of absolute K magnitude, MK log of luminosity, log L (in solar units) and probability of cluster membership estimated using cluster data given in the text. Period shows reported values of cluster taken from the literature Estimated values of the projected radius, Rsini (in Rsolar) and uncertainty in projected radius, e_Rsini (in Rsolar) are given for targets where vsini>5km/s and pvsini>0.2. The final column shows a flag which is set to 1 for targets in cluster NGC 2264 where a (H-K) versus (J-H) colour-colour plot indicates possible infra-red excess. Period shows reported values of cluster taken from the literature (2 data files).

Evaluating data mining algorithms using molecular dynamics trajectories.

PubMed

Tatsis, Vasileios A; Tjortjis, Christos; Tzirakis, Panagiotis

2013-01-01

Molecular dynamics simulations provide a sample of a molecule's conformational space. Experiments on the mus time scale, resulting in large amounts of data, are nowadays routine. Data mining techniques such as classification provide a way to analyse such data. In this work, we evaluate and compare several classification algorithms using three data sets which resulted from computer simulations, of a potential enzyme mimetic biomolecule. We evaluated 65 classifiers available in the well-known data mining toolkit Weka, using 'classification' errors to assess algorithmic performance. Results suggest that: (i) 'meta' classifiers perform better than the other groups, when applied to molecular dynamics data sets; (ii) Random Forest and Rotation Forest are the best classifiers for all three data sets; and (iii) classification via clustering yields the highest classification error. Our findings are consistent with bibliographic evidence, suggesting a 'roadmap' for dealing with such data.

Emergence of reconfigurable wires and spinners via dynamic self-assembly

DOE PAGES

Kokot, Gasper; Piet, David; Whitesides, George M.; ...

2015-03-26

Dissipative colloidal materials use energy to generate and maintain structural complexity. The energy injection rate, and properties of the environment are important control parameters that influence the outcome of dynamic self-assembly. Here we demonstrate that dispersions of magnetic microparticles confined at the air-liquid interface, and energized by a uniaxial in-plane alternating magnetic field, self-assemble into a variety of structures that range from pulsating clusters and single-particle-thick wires to dynamic arrays of spinners (self-assembled short chains) rotating in either direction. The spinners emerge via spontaneous breaking of the uniaxial symmetry of the energizing magnetic field. Demonstration of the formation and disaggregationmore » of particle assemblies suggests strategies to form new meso-scale structures with the potential to perform functions such as mixing and sensing.« less

Collective Signal Processing in Cluster Chemotaxis: Roles of Adaptation, Amplification, and Co-attraction in Collective Guidance

PubMed Central

Camley, Brian A.; Zimmermann, Juliane; Levine, Herbert; Rappel, Wouter-Jan

2016-01-01

Single eukaryotic cells commonly sense and follow chemical gradients, performing chemotaxis. Recent experiments and theories, however, show that even when single cells do not chemotax, clusters of cells may, if their interactions are regulated by the chemoattractant. We study this general mechanism of “collective guidance” computationally with models that integrate stochastic dynamics for individual cells with biochemical reactions within the cells, and diffusion of chemical signals between the cells. We show that if clusters of cells use the well-known local excitation, global inhibition (LEGI) mechanism to sense chemoattractant gradients, the speed of the cell cluster becomes non-monotonic in the cluster’s size—clusters either larger or smaller than an optimal size will have lower speed. We argue that the cell cluster speed is a crucial readout of how the cluster processes chemotactic signals; both amplification and adaptation will alter the behavior of cluster speed as a function of size. We also show that, contrary to the assumptions of earlier theories, collective guidance does not require persistent cell-cell contacts and strong short range adhesion. If cell-cell adhesion is absent, and the cluster cohesion is instead provided by a co-attraction mechanism, e.g. chemotaxis toward a secreted molecule, collective guidance may still function. However, new behaviors, such as cluster rotation, may also appear in this case. Co-attraction and adaptation allow for collective guidance that is robust to varying chemoattractant concentrations while not requiring strong cell-cell adhesion. PMID:27367541

Changes in the structure of nuclei between the magic neutron numbers 50 and 82 as indicated by a rotating-cluster analysis of the energy values of the first 2+ excited states of isotopes of cadmium, tin, and tellurium

PubMed Central

Pauling, Linus

1981-01-01

Values of R, the radius of rotation of the rotating cluster, are calculated from the observed values of the energy of the lowest 2+ states of the even isotopes of 48Cd, 50Sn, and 52Te with the assumption that the cluster is α, p2, and α, respectively. R shows a maximum at ≈N = 58, a minimum at ≈N = 62, and a second maximum at ≈N = 70. The increase to the first maximum is interpreted as resulting from the overcrowding of spherons (alphas and tritons) in the mantle (outer layer) of the nuclei, causing the cluster to change from rotating in the mantle to skimming over its surface; the decrease to the minimum results from the addition of three dineutrons to the core, expanding the mantle and permitting the rotating cluster to begin to drop back into it; and the increase to the second maximum results from the overcrowding of the larger mantle surrounding the core containing the semi-magic number 14 of neutrons rather than the magic number 8 for N = 50. The decrease after the second maximum results from the further increase in the number of core neutrons to 20, corresponding to the magic number 82. Some additional evidence for the change to an intermediate structure between N = 50 and N = 82 is also discussed. PMID:16593084

Discovery of Extended Main-sequence Turnoffs in Four Young Massive Clusters in the Magellanic Clouds

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

Li, Chengyuan; De Grijs, Richard; Deng, Licai

An increasing number of young massive clusters (YMCs) in the Magellanic Clouds have been found to exhibit bimodal or extended main sequences (MSs) in their color–magnitude diagrams (CMDs). These features are usually interpreted in terms of a coeval stellar population with different stellar rotational rates, where the blue and red MS stars are populated by non- (or slowly) and rapidly rotating stellar populations, respectively. However, some studies have shown that an age spread of several million years is required to reproduce the observed wide turnoff regions in some YMCs. Here we present the ultraviolet–visual CMDs of four Large and Smallmore » Magellanic Cloud YMCs, NGC 330, NGC 1805, NGC 1818, and NGC 2164, based on high-precision Hubble Space Telescope photometry. We show that they all exhibit extended main-sequence turnoffs (MSTOs). The importance of age spreads and stellar rotation in reproducing the observations is investigated. The observed extended MSTOs cannot be explained by stellar rotation alone. Adopting an age spread of 35–50 Myr can alleviate this difficulty. We conclude that stars in these clusters are characterized by ranges in both their ages and rotation properties, but the origin of the age spread in these clusters remains unknown.« less

Looking for Photometric Signatures of Fast Rotation in Intermediate-Age Star Clusters in the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Goudfrooij, Paul

2017-08-01

Recently, deep color-magnitude diagrams from HST data revealed that several massive intermediate-age star clusters in the Magellanic Clouds exhibit extended main-sequence turn-offs (eMSTOs). This discovery posed serious questions regarding the mechanisms responsible for the formation of massive globular clusters and their well-known multiple stellar populations. The nature of eMSTOs is a hotly debated topic of study. Several studies argued that the eMSTOs are caused by an age range of up to a few hundred Myr, while other studies indicate that eMSTOs can instead be caused by a coeval population in which the stars span a range of rotation velocities. Formal evidence to (dis-)prove either scenario still remains at large, in part because stellar tracks that incorporate the effects of rotation have so far only been available for masses > 1.7 Msun whereas the stars in the known eMSTOs of intermediate-age star clusters are less massive. In this proposal we aim to look for photometric signatures of fast rotators in eMSTO clusters that have been observed by HST in three passbands including (at least) F336W and F814W. We will study spreads in different stellar colors, testing against those predicted with the aid of von Zeipel's geometric study for a population of rotating stars with a significant spread in their inclination. Importantly, this spread due to the presence of rotation is predicted to occur along well-defined lines in color-color diagrams, in directions that are distinct from those in color-magnitude diagrams and distinct from the spread predicted for the age range scenario.

Signature of non-isotropic distribution of stellar rotation inclination angles in the Praesepe cluster

NASA Astrophysics Data System (ADS)

Kovacs, Geza

2018-04-01

The distribution of the stellar rotation axes of 113 main sequence stars in the open cluster Praesepe are examined by using current photometric rotation periods, spectroscopic rotation velocities, and estimated stellar radii. Three different samples of stellar rotation data on spotted stars from the Galactic field and two independent samples of planetary hosts are used as control samples to support the consistency of the analysis. Considering the high completeness of the Praesepe sample and the behavior of the control samples, we find that the main sequence F - K stars in this cluster are susceptible to rotational axis alignment. Using a cone model, the most likely inclination angle is 76° ± 14° with a half opening angle of 47° ± 24°. Non-isotropic distribution of the inclination angles is preferred over the isotropic distribution, except if the rotation velocities used in this work are systematically overestimated. We found no indication of this being the case on the basis of the currently available data. Data are only available at the CDS, together with the other two compiled datasets used in this paper, via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/L2

A UV spectroscopic survey of periodic M dwarfs in the Hyades

NASA Astrophysics Data System (ADS)

Agueros, Marcel

2017-08-01

Because of its proximity, the 650-Myr-old Hyades open cluster is a unique resource for exploring the relationship between magnetic activity, rotation, and age in low-mass stars. While the cluster has been largely ignored in UV studies of the dependence of activity on rotation, we now have an extensive and growing set of complementary rotation period, Halpha, and X-ray measurements with which to examine in detail the rotation-activity relation at 650 Myr and to constrain theories of magnetic heating. We propose to measure Mg II line emission, the strongest NUV activity tracer, in COS spectra of 17 Hyads ranging in spectral type from M0 to M7 with known rotation periods and Halpha and X-ray measurements. These stars form a representative sample of M-dwarf Hyads with known periods and are a significant addition to, and expansion of, the sample of 20 mainly solar-mass rotators with existing (mostly low-resolution) International Ultravioled Explorer (IUE) NUV spectra. The Mg II measurements will contribute significantly to our goal of mapping out the rotation-activity relation star-by-star in this benchmark open cluster. This, in turn, will move us toward an improved understanding of the radiation environment and habitability of the exoplanets we continue to find around low-mass stars.

A UV spectroscopic snapshot survey of low-mass stars in the Hyades

NASA Astrophysics Data System (ADS)

Agueros, Marcel

2017-08-01

Because of its proximity, the 650-Myr-old Hyades open cluster is a unique resource for exploring the relationship between magnetic activity, rotation, and age in low-mass stars. While the cluster has been largely ignored in UV studies of the dependence of activity on rotation, we now have an extensive and growing set of complementary rotation period, Halpha, and X-ray measurements with which to examine in detail the rotation-activity relation at 650 Myr and to constrain theories of magnetic heating. We propose to measure Mg II line emission, the strongest NUV activity tracer, in COS spectra of 86 Hyads ranging in spectral type from G to M with known rotation periods or currently being observed by K2. These stars form a representative sample of low-mass Hyads with known periods and are a significant addition to, and expansion of, the sample of 20 mainly solar-mass rotators with existing (mostly low-resolution) IUE NUV spectra. The Mg II measurements will contribute significantly to our goal of mapping out the rotation-activity relation star-by-star in this benchmark open cluster. This, in turn, will move us toward an improved understanding of the radiation environment and habitability of the exoplanets we continue to find around low-mass stars.

FIRST OBSERVATIONAL SIGNATURE OF ROTATIONAL DECELERATION IN A MASSIVE, INTERMEDIATE-AGE STAR CLUSTER IN THE MAGELLANIC CLOUDS

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

Wu, Xiaohan; Li, Chengyuan; De Grijs, Richard

While the extended main-sequence turnoffs (eMSTOs) found in almost all 1–2 Gyr old star clusters in the Magellanic Clouds are often explained by postulating extended star formation histories (SFHs), the tight subgiant branches (SGBs) seen in some clusters challenge this popular scenario. Puzzlingly, the SGB of the eMSTO cluster NGC 419 is significantly broader at bluer than at redder colors. We carefully assess and confirm the reality of this observational trend. If we would assume that the widths of the features in color–magnitude space were entirely owing to a range in stellar ages, the SFHs of the eMSTO stars andmore » the blue SGB region would be significantly more prolonged than that of the red part of the SGB. This cannot be explained by assuming an internal age spread. We show that rotational deceleration of a population of rapidly rotating stars, a currently hotly debated alternative scenario, naturally explains the observed trend along the SGB. Our analysis shows that a “converging” SGB could be produced if the cluster is mostly composed of rapidly rotating stars that slow down over time owing to the conservation of angular momentum during their evolutionary expansion from main-sequence turnoff stars to red giants.« less

Full-dimensional quantum dynamics of rovibrationally inelastic scattering between CN and H2

NASA Astrophysics Data System (ADS)

Yang, Benhui; Wang, X. H.; Stancil, P. C.; Bowman, J. M.; Balakrishnan, N.; Forrey, R. C.

2016-12-01

We report six-dimensional (6D) potential energy surface (PES) and rovibrational scattering calculations for the CN-H2 collision system. The PES was computed using the high-level ab initio spin-restricted coupled-cluster with single, double, and perturbative triple excitations-F12B method and fitted to an analytic function using an invariant polynomial method in 6D. Quantum close-coupling calculations are reported for rotational transitions in CN by H2 and D2 collisions in 6D as well as four-dimensional (4D) within a rigid rotor model for collision energies of 1.0-1500 cm-1. Comparisons with experimental data and previous 4D calculations are presented for CN rotational levels j1 = 4 and 11. For the first time, rovibrational quenching cross sections and rate coefficients of CN (v1 = 1,j1 = 0) in collisions with para- and ortho-H2 are also reported in full-dimension. Agreement for pure rotational transitions is found to be good, but no experimental data on rovibrational collisional quenching for CN-H2 are available. Applications of the current rotational and rovibrational rate coefficients in astrophysical modeling are briefly discussed.

Isotopic substitution of a hydrogen bond: A near infrared study of the intramolecular states in (DF)2

NASA Astrophysics Data System (ADS)

Davis, Scott; Anderson, David T.; Farrell, John T., Jr.; Nesbitt, David J.

1996-06-01

High resolution near infrared spectra of the two high frequency intramolecular modes in (DF)2 have been characterized using a slit-jet infrared spectrometer. In total, four pairs of vibration-rotation-tunneling (VRT) bands are observed, corresponding to K=0 and K=1 excitation of both the ν2 (``bound'') and ν1 (``free'') intramolecular DF stretching modes. Analysis of the rotationally resolved spectra provides vibrational origins, rotational constants, tunneling splittings and upper state predissociation lifetimes for all four states. The rotational constants indicate that the deuterated hydrogen bond contracts and bends upon intramolecular excitation, analogous to what has been observed for (HF)2. The isotope and K dependence of tunneling splittings for (HF)2 and (DF)2 in both intramolecular modes is interpreted in terms of a semiclassical 1-D tunneling model. High resolution line shape measurements reveal vibrational predissociation broadening in (DF)2: 56(2) and 3(2) MHz for the ν2 (bound) and ν1 (free) intramolecular stretching modes, respectively. This 20-fold mode specific enhancement parallels the ≥30-fold enhancement observed between analogous intramolecular modes of (HF)2, further elucidating the role of nonstatistical predissociation dynamics in such hydrogen bonded clusters.

The Evolutionary Status of Be Stars: Results from a Photometric Study of Southern Open Clusters

NASA Astrophysics Data System (ADS)

McSwain, M. Virginia; Gies, Douglas R.

2005-11-01

Be stars are a class of rapidly rotating B stars with circumstellar disks that cause Balmer and other line emission. There are three possible reasons for the rapid rotation of Be stars: they may have been born as rapid rotators, spun up by binary mass transfer, or spun up during the main-sequence (MS) evolution of B stars. To test the various formation scenarios, we have conducted a photometric survey of 55 open clusters in the southern sky. Of these, five clusters are probably not physically associated groups and our results for two other clusters are not reliable, but we identify 52 definite Be stars and an additional 129 Be candidates in the remaining clusters. We use our results to examine the age and evolutionary dependence of the Be phenomenon. We find an overall increase in the fraction of Be stars with age until 100 Myr, and Be stars are most common among the brightest, most massive B-type stars above the zero-age main sequence (ZAMS). We show that a spin-up phase at the terminal-age main sequence (TAMS) cannot produce the observed distribution of Be stars, but up to 73% of the Be stars detected may have been spun-up by binary mass transfer. Most of the remaining Be stars were likely rapid rotators at birth. Previous studies have suggested that low metallicity and high cluster density may also favor Be star formation. Our results indicate a possible increase in the fraction of Be stars with increasing cluster distance from the Galactic center (in environments of decreasing metallicity). However, the trend is not significant and could be ruled out due to the intrinsic scatter in our data. We also find no relationship between the fraction of Be stars and cluster density.

Strong evidences for a nonextensive behavior of the rotation period in open clusters

NASA Astrophysics Data System (ADS)

de Freitas, D. B.; Nepomuceno, M. M. F.; Soares, B. B.; Silva, J. R. P.

2014-11-01

Time-dependent nonextensivity in a stellar astrophysical scenario combines nonextensive entropic indices qK derived from the modified Kawaler's parametrization, and q, obtained from rotational velocity distribution. These q's are related through a heuristic single relation given by q≈ q0(1-Δ t/qK) , where t is the cluster age. In a nonextensive scenario, these indices are quantities that measure the degree of nonextensivity present in the system. Recent studies reveal that the index q is correlated to the formation rate of high-energy tails present in the distribution of rotation velocity. On the other hand, the index qK is determined by the stellar rotation-age relationship. This depends on the magnetic-field configuration through the expression qK=1+4aN/3 , where a and N denote the saturation level of the star magnetic field and its topology, respectively. In the present study, we show that the connection q-qK is also consistent with 548 rotation period data for single main-sequence stars in 11 open clusters aged less than 1 Gyr. The value of qK ˜ 2.5 from our unsaturated model shows that the mean magnetic-field topology of these stars is slightly more complex than a purely radial field. Our results also suggest that stellar rotational braking behavior affects the degree of anti-correlation between q and cluster age t. Finally, we suggest that stellar magnetic braking can be scaled by the entropic index q.

A hybrid molecular dynamics study on the non-Newtonian rheological behaviors of shear thickening fluid.

PubMed

Chen, Kaihui; Wang, Yu; Xuan, Shouhu; Gong, Xinglong

2017-07-01

To investigate the microstructural evolution dependency on the apparent viscosity in shear-thickening fluids (STFs), a hybrid mesoscale model combined with stochastic rotation dynamics (SRD) and molecular dynamics (MD) is used. Muller-Plathe reverse perturbation method is adopted to analyze the viscosities of STFs in a two-dimensional model. The characteristic of microstructural evolution of the colloidal suspensions under different shear rate is studied. The effect of diameter of colloidal particles and the phase volume fraction on the shear thickening behavior is investigated. Under low shear rate, the two-atom structure is formed, because of the strong particle attractions in adjacent layers. At higher shear rate, the synergetic pair structure extends to layered structure along flow direction because of the increasing hydrodynamics action. As the shear rate rises continuously, the layered structure rotates and collides with other particles, then turned to be individual particles under extension or curve string structure under compression. Finally, at the highest shear rate, the strings curve more severely and get into two-dimensional cluster. The apparent viscosity of the system changes from shear-thinning behavior to the shear-thickening behavior. This work presents valuable information for further understanding the shear thickening mechanism. Copyright © 2017 Elsevier Inc. All rights reserved.

Broadband Rotational Spectroscopy

NASA Astrophysics Data System (ADS)

Pate, Brooks

2014-06-01

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

Accurate evaporation rates of pure and doped water clusters in vacuum: A statistico-dynamical approach

NASA Astrophysics Data System (ADS)

Calvo, F.; Douady, J.; Spiegelman, F.

2010-01-01

Unimolecular evaporation of selected pure (H2O)n and heterogeneous (H2O)n-1X+ water clusters containing a single hydronium or ammonium impurity is investigated in the framework of phase space theory (PST) in its orbiting transition state version. Using the many-body polarizable Kozack-Jordan potential and its extensions for X+=H3O+ and NH4+, the thermal evaporation of clusters containing 21 and 50 molecules is simulated at several total energies. Numerous molecular dynamics (MD) trajectories at high internal energies provide estimates of the decay rate constant, as well as the kinetic energy and angular momentum released upon dissociation. Additional Monte Carlo simulations are carried out to determine the anharmonic densities of vibrational states, which combined with suitable forms for the rotational densities of states provide expressions for the energy-resolved differential rates. Successful comparison between the MD results and the independent predictions of PST for the distributions of kinetic energy and angular momentum released shows that the latter statistical approach is quantitative. Using MD data as a reference, the absolute evaporation rates are calculated from PST over broad energy and temperature ranges. Based on these results, the presence of an ionic impurity is generally found to decrease the rate, however the effect is much more significant in the 21-molecule clusters. Our calculations also suggest that due to backbendings in the microcanonical densities of states the variations of the evaporation rates may not be strictly increasing with energy or temperature.

Giant Faraday Rotation through Ultrasmall Fe0 n Clusters in Superparamagnetic FeO-SiO2 Vitreous Films.

PubMed

Nakatsuka, Yuko; Pollok, Kilian; Wieduwilt, Torsten; Langenhorst, Falko; Schmidt, Markus A; Fujita, Koji; Murai, Shunsuke; Tanaka, Katsuhisa; Wondraczek, Lothar

2017-04-01

Magnetooptical (MO) glasses and, in particular, Faraday rotators are becoming key components in lasers and optical information processing, light switching, coding, filtering, and sensing. The common design of such Faraday rotator materials follows a simple path: high Faraday rotation is achieved by maximizing the concentration of paramagnetic ion species in a given matrix material. However, this approach has reached its limits in terms of MO performance; hence, glass-based materials can presently not be used efficiently in thin film MO applications. Here, a novel strategy which overcomes this limitation is demonstrated. Using vitreous films of x FeO·(100 - x )SiO 2 , unusually large Faraday rotation has been obtained, beating the performance of any other glassy material by up to two orders of magnitude. It is shown that this is due to the incorporation of small, ferromagnetic clusters of atomic iron which are generated in line during laser deposition and rapid condensation of the thin film, generating superparamagnetism. The size of these clusters underbids the present record of metallic Fe incorporation and experimental verification in glass matrices.

A microcosm of musical expression: II. Quantitative analysis of pianists' dynamics in the initial measures of Chopin's Etude in E major.

PubMed

Repp, B H

1999-03-01

Patterns of expressive dynamics were measured in bars 1-5 of 115 commercially recorded performances of Chopin's Etude in E major, op. 10, No. 3. The grand average pattern (or dynamic profile) was representative of many performances and highly similar to the average dynamic profile of a group of advanced student performances, which suggests a widely shared central norm of expressive dynamics. The individual dynamic profiles were subjected to principal components analysis, which yielded Varimax-rotated components, each representing a different, nonstandard dynamic profile associated with a small subset of performances. Most performances had dynamic patterns resembling a mixture of several components, and no clustering of of performances into distinct groups was apparent. Some weak relationships of dynamic profiles with sociocultural variables were found, most notably a tendency of female pianists to exhibit a greater dynamic range in the melody. Within the melody, there were no significant relationships between expressive timing [Repp, J. Acoust. Soc. Am. 104, 1085-1100 (1998)] and expressive dynamics. These two important dimensions seemed to be controlled independently at this local level and thus offer the artist many degrees of freedom in giving a melody expressive shape.

CSI 2264: Investigating rotation and its connection with disk accretion in the young open cluster NGC 2264

NASA Astrophysics Data System (ADS)

Venuti, L.; Bouvier, J.; Cody, A. M.; Stauffer, J. R.; Micela, G.; Rebull, L. M.; Alencar, S. H. P.; Sousa, A. P.; Hillenbrand, L. A.; Flaccomio, E.

2017-03-01

Context. The low spin rates measured for solar-type stars at an age of a few Myr ( 10% of the break-up velocity) indicate that some mechanism of angular momentum regulation must be at play in the early pre-main sequence. This may be associated with magnetospheric accretion and star-disk interaction, as suggested by observations that disk-bearing objects (CTTS) are slower rotators than diskless sources (WTTS) in young star clusters. Aims: We characterize the rotation properties for members of the star-forming region NGC 2264 ( 3 Myr) as a function of mass, and investigate the accretion-rotation connection at an age where about 50% of the stars have already lost their disks. Methods: We examined a sample of 500 cluster members (40% with disks, 60% without disks), distributed in mass between 0.15 and 2 M⊙, whose photometric variations were monitored in the optical for 38 consecutive days with the CoRoT space observatory. Light curves were analyzed for periodicity using three different techniques: the Lomb-Scargle periodogram, the autocorrelation function and the string-length method. Periods were searched in the range between 0.17 days (I.e., 4 h, twice the data sampling adopted) and 19 days (half the total time span). Period detections were confirmed using a variety of statistical tools (false alarm probability, Q-statistics), as well as visual inspection of the direct and phase-folded light curves. Results: About 62% of sources in our sample were found to be periodic; the period detection rate is 70% among WTTS and 58% among CTTS. The vast majority of periodic sources exhibit rotational periods shorter than 13 d. The period distribution obtained for the cluster consists of a smooth distribution centered around P = 5.2 d with two peaks, located respectively at P = 1-2 d and at P = 3-4 d. A separate analysis of the rotation properties for CTTS and WTTS indicates that the P = 1-2 d peak is associated with the latter, while both groups contribute to the P = 3-4 d peak. The comparison between CTTS and WTTS supports the idea of a rotation-accretion connection: their respective rotational properties are statistically different, and CTTS rotate on average more slowly than WTTS. We also observe that CTTS with the strongest signatures of accretion (largest UV flux excesses) tend to exhibit slow rotation rates; a clear dearth of fast rotators with strong accretion signatures emerges from our sample. This connection between rotation properties and accretion traced via UV excess measurements is consistent with earlier findings, revealed by IR excess measurements, that fast rotators in young star clusters are typically devoid of dusty disks. On the other hand, WTTS span the whole range of rotation periods detected across the cluster. We also investigated whether the rotation properties we measure for NGC 2264 members show any dependence on stellar mass or on stellar inner structure (radiative core mass to total mass ratio). No statistically significant correlation emerged from our analysis regarding the second issue; however, we did infer some evidence of a period-mass trend, lower-mass stars spinning on average faster than higher-mass stars, although our data did not allow us to assess the statistical significance of such a trend beyond the 10% level. Conclusions: This study confirms that disks impact the rotational properties of young stars and influence their rotational evolution. The idea of disk-locking, recently tested in numerical models of the rotational evolution of young stars between 1 and 12 Myr, may be consistent with the pictures of rotation and rotation-accretion connection that we observe for the NGC 2264 cluster. However, the origin of the several substructures that we observe in the period distribution, notably the multiple peaks, deserves further investigation. Based on observations obtained with the CoRoT space telescope, and with the wide-field imager MegaCam at the Canada-France-Hawaii Telescope (CFHT).Table F.1 is also available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/599/A23

New constraints on the star formation history of the star cluster NGC 1856

NASA Astrophysics Data System (ADS)

Correnti, Matteo; Goudfrooij, Paul; Puzia, Thomas H.; de Mink, Selma E.

2015-07-01

We use the Wide Field Camera 3 onboard the Hubble Space Telescope to obtain deep, high-resolution photometry of the young (age ˜ 300 Myr) star cluster NGC 1856 in the Large Magellanic Cloud. We compare the observed colour-magnitude diagram (CMD), after having applied a correction for differential reddening, with Monte Carlo simulations of simple stellar populations (SSPs) of various ages. We find that the main-sequence turn-off (MSTO) region is wider than that derived from the simulation of a single SSP. Using constraints based on the distribution of stars in the MSTO region and the Red Clump, we find that the CMD is best reproduced using a combination of two different SSPs with ages separated by 80 Myr (0.30 and 0.38 Gyr, respectively). However, we cannot formally exclude that the width of the MSTO could be due to a range of stellar rotation velocities if the efficiency of rotational mixing is higher than typically assumed. Using a King-model fit to the surface number density profile in conjunction with dynamical evolution models, we determine the evolution of cluster mass and escape velocity from an age of 10 Myr to the present age, taking into account the possible effects of primordial mass segregation. We find that the cluster has an escape velocity Vesc ≃ 17 km s-1 at an age of 10 Myr, and it remains high enough during a period of ≃100 Myr to retain material ejected by slow winds of first-generation stars. Our results are consistent with the presence of an age spread in NGC 1856, in contradiction to the results of Bastian & Silva-Villa.

Kinematic classification of non-interacting spiral galaxies

NASA Astrophysics Data System (ADS)

Wiegert, Theresa; English, Jayanne

2014-01-01

Using neutral hydrogen (HI) rotation curves of 79 galaxies, culled from the literature, as well as measured from HI data, we present a method for classifying disk galaxies by their kinematics. In order to investigate fundamental kinematic properties we concentrate on non-interacting spiral galaxies. We employ a simple parameterized form for the rotation curve in order to derive the three parameters: the maximum rotational velocity, the turnover radius and a measure of the slope of the rotation curve beyond the turnover radius. Our approach uses the statistical Hierarchical Clustering method to guide our division of the resultant 3D distribution of galaxies into five classes. Comparing the kinematic classes in this preliminary classification scheme to a number of galaxy properties, we find that our class containing galaxies with the largest rotational velocities has a mean morphological type of Sb/Sbc while the other classes tend to later types. Other trends also generally agree with those described by previous researchers. In particular we confirm correlations between increasing maximum rotational velocity and the following observed properties: increasing brightness in B-band, increasing size of the optical disk (D25) and increasing star formation rate (as derived using radio continuum data). Our analysis also suggests that lower velocities are associated with a higher ratio of the HI mass over the dynamical mass. Additionally, three galaxies exhibit a drop in rotational velocity amplitude of ≳20% after the turnover radius. However recent investigations suggest that they have interacted with minor companions which is a common cause for declining rotation curves.

Zodiacal Exoplanets in Time (ZEIT). IV. Seven Transiting Planets in the Praesepe Cluster

NASA Astrophysics Data System (ADS)

Mann, Andrew W.; Gaidos, Eric; Vanderburg, Andrew; Rizzuto, Aaron C.; Ansdell, Megan; Medina, Jennifer Vanessa; Mace, Gregory N.; Kraus, Adam L.; Sokal, Kimberly R.

2017-02-01

Open clusters and young stellar associations are attractive sites to search for planets and to test theories of planet formation, migration, and evolution. We present our search for, and characterization of, transiting planets in the 800 Myr old Praesepe (Beehive, M44) Cluster from K2 light curves. We identify seven planet candidates, six of which we statistically validate to be real planets, the last of which requires more data. For each host star, we obtain high-resolution NIR spectra to measure its projected rotational broadening and radial velocity, the latter of which we use to confirm cluster membership. We combine low-resolution spectra with the known cluster distance and metallicity to provide precise temperatures, masses, radii, and luminosities for the host stars. Combining our measurements of rotational broadening, rotation periods, and our derived stellar radii, we show that all planetary orbits are consistent with alignment to their host star’s rotation. We fit the K2 light curves, including priors on stellar density to put constraints on the planetary eccentricities, all of which are consistent with zero. The difference between the number of planets found in Praesepe and Hyades (8 planets, ≃ 800 Myr) and a similar data set for Pleiades (0 planets, ≃125 Myr) suggests a trend with age, but may be due to incompleteness of current search pipelines for younger, faster-rotating stars. We see increasing evidence that some planets continue to lose atmosphere past 800 Myr, as now two planets at this age have radii significantly larger than their older counterparts from Kepler.

NGC 1866: First Spectroscopic Detection of Fast-rotating Stars in a Young LMC Cluster

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

Dupree, A. K.; Dotter, A.; Johnson, C. I.

High-resolution spectroscopic observations were taken of 29 extended main-sequence turnoff (eMSTO) stars in the young (∼200 Myr) Large Magellanic Cloud (LMC) cluster, NGC 1866, using the Michigan/ Magellan Fiber System and MSpec spectrograph on the Magellan -Clay 6.5 m telescope. These spectra reveal the first direct detection of rapidly rotating stars whose presence has only been inferred from photometric studies. The eMSTO stars exhibit H α emission (indicative of Be-star decretion disks), others have shallow broad H α absorption (consistent with rotation ≳150 km s{sup −1}), or deep H α core absorption signaling lower rotation velocities (≲150 km s{sup −1}).more » The spectra appear consistent with two populations of stars—one rapidly rotating, and the other, younger and slowly rotating.« less

10B+α states with chain-like structures in 14N

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2015-12-01

I investigate 10B+α -cluster states of 14N with a 10B+α -cluster model. Near the α -decay threshold energy, I obtain Kπ=3+ and Kπ=1+ rotational bands having 10B(3+) +α and 10B(1+) +α components, respectively. I assign the bandhead state of the Kπ=3+ band to the experimental 3+ at Ex=13.19 MeV of 14N observed in α scattering reactions by 10B and show that the calculated α -decay width is consistent with the experimental data. I discuss an α -cluster motion around the 10B cluster and show that the Kπ=3+ and Kπ=1+ rotational bands contain an enhanced component of a linear-chain 3 α configuration, in which an α cluster is localized in the longitudinal direction around the deformed 10B cluster.

Recovering a MOND-like acceleration law in mimetic gravity

NASA Astrophysics Data System (ADS)

Vagnozzi, Sunny

2017-09-01

We reconsider the recently proposed mimetic gravity, focusing in particular on whether the theory is able to reproduce the inferred flat rotation curves of galaxies. We extend the theory by adding a non-minimal coupling between matter and mimetic field. Such coupling leads to the appearance of an extra force which renders the motion of test particles non-geodesic. By studying the weak field limit of the resulting equations of motion, we demonstrate that in the Newtonian limit the acceleration law induced by the non-minimal coupling reduces to a modified Newtonian dynamics (MOND)-like one. In this way, it is possible to reproduce the successes of MOND, namely the explanation for the flat galactic rotation curves and the Tully-Fisher relation, within the framework of mimetic gravity, without the need for particle dark matter. The scale-dependence of the recovered acceleration scale opens up the possibility of addressing the missing mass problem not only on galactic but also on cluster scales: we defer a full study of this issue, together with a complete analysis of fits to spiral galaxy rotation curves, to an upcoming companion paper.

Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study.

PubMed

Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina

2017-04-06

The 1:1 complex of ammonia with pyridine is characterized by using state-of-the-art quantum-chemical computations combined with pulsed-jet Fourier-transform microwave spectroscopy. The computed potential energy landscape indicates the formation of a stable σ-type complex, which is confirmed experimentally: analysis of the rotational spectrum shows the presence of only one 1:1 pyridine-ammonia adduct. Each rotational transition is split into several components owing to the internal rotation of NH 3 around its C 3 axis and to the hyperfine structure of both 14 N quadrupolar nuclei, thus providing unequivocal proof that the two molecules form a σ-type complex involving both a N-H⋅⋅⋅N and a C-H⋅⋅⋅N hydrogen bond. The dissociation energy (BSSE- and ZPE-corrected) is estimated to be 11.5 kJ mol -1 . This work represents the first application of an accurate yet efficient computational scheme, designed for the investigation of small biomolecules, to a molecular cluster. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-Covalent Interactions and Internal Dynamics in Pyridine-Ammonia a Combined Quantum-Chemical and Microwave Spectroscopy Study

NASA Astrophysics Data System (ADS)

Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina

2017-06-01

The 1:1 complex of ammonia with pyridine has been characterized by using state-of-the-art quantum-chemical computations combined with pulsed-jet Fourier-Transform microwave spectroscopy. The computed potential energy landscape pointed out the formation of a stable σ-type complex, which has been confirmed experimentally: the analysis of the rotational spectrum showed the presence of only one 1:1 pyridine - ammonia adduct. Each rotational transition is split into several components due to the internal rotation of NH_3 around its C_3 axis and to the hyperfine structure of both ^{14}N quadrupolar nuclei, thus providing the unequivocal proof that the two molecules form a σ-type complex involving both a N-H\\cdotsN and a C-H\\cdotsN hydrogen bond. The dissociation energy (BSSE and ZPE corrected) has been estimated to be 11.5 kJ\\cdotmol^{-1}. This work represents the first application of an accurate, yet efficient computational scheme, designed for the investigation of small biomolecules, to a molecular cluster.

IUE observations of rapidly rotating low-mass stars in young clusters - The relation between chromospheric activity and rotation

NASA Technical Reports Server (NTRS)

Simon, Theodore

1990-01-01

If the rapid spindown of low-mass stars immediately following their arrival on the ZAMS results from magnetic braking by coronal winds, an equally sharp decline in their chromospheric emission may be expected. To search for evidence of this effect, the IUE spacecraft was used to observe the chromospheric Mg II emission lines of G-M dwarfs in the nearby IC 2391, Alpha Persei, Pleiades, and Hyades clusters. Similar observations were made of a group of X-ray-selected 'naked' T Tauri stars in Taurus-Auriga. The existence of a decline in activity cannot be confirmed from the resulting data. However, the strength of the chromospheric emission in the Mg II lines of the cluster stars is found to be correlated with rotation rate, being strongest for the stars with the shortest rotation periods and weakest for those with the longest periods. This provides indirect support for such an evolutionary change in activity. Chromospheric activity may thus be only an implicit function of age.

Reducing Memory Cost of Exact Diagonalization using Singular Value Decomposition

NASA Astrophysics Data System (ADS)

Weinstein, Marvin; Chandra, Ravi; Auerbach, Assa

2012-02-01

We present a modified Lanczos algorithm to diagonalize lattice Hamiltonians with dramatically reduced memory requirements. In contrast to variational approaches and most implementations of DMRG, Lanczos rotations towards the ground state do not involve incremental minimizations, (e.g. sweeping procedures) which may get stuck in false local minima. The lattice of size N is partitioned into two subclusters. At each iteration the rotating Lanczos vector is compressed into two sets of nsvd small subcluster vectors using singular value decomposition. For low entanglement entropy See, (satisfied by short range Hamiltonians), the truncation error is bounded by (-nsvd^1/See). Convergence is tested for the Heisenberg model on Kagom'e clusters of 24, 30 and 36 sites, with no lattice symmetries exploited, using less than 15GB of dynamical memory. Generalization of the Lanczos-SVD algorithm to multiple partitioning is discussed, and comparisons to other techniques are given. Reference: arXiv:1105.0007

Purely hydrodynamic ordering of rotating disks at a finite Reynolds number.

PubMed

Goto, Yusuke; Tanaka, Hajime

2015-01-28

Self-organization of moving objects in hydrodynamic environments has recently attracted considerable attention in connection to natural phenomena and living systems. However, the underlying physical mechanism is much less clear due to the intrinsically nonequilibrium nature, compared with self-organization of thermal systems. Hydrodynamic interactions are believed to play a crucial role in such phenomena. To elucidate the fundamental physical nature of many-body hydrodynamic interactions at a finite Reynolds number, here we study a system of co-rotating hard disks in a two-dimensional viscous fluid at zero temperature. Despite the absence of thermal noise, this system exhibits rich phase behaviours, including a fluid state with diffusive dynamics, a cluster state, a hexatic state, a glassy state, a plastic crystal state and phase demixing. We reveal that these behaviours are induced by the off-axis and many-body nature of nonlinear hydrodynamic interactions and the finite time required for propagating the interactions by momentum diffusion.

The effectiveness of job rotation to prevent work-related musculoskeletal disorders: protocol of a cluster randomized clinical trial.

PubMed

Comper, Maria Luiza Caires; Padula, Rosimeire Simprini

2014-05-22

Job rotation has often been used in situations where the level of exposure cannot be reduced due to the characteristics of the job or through physical measures. However, the effectiveness of the job rotation strategy at preventing musculoskeletal complaints lacks adequate scientific data. A cluster randomized controlled trial will be used to investigate the effectiveness of job rotation to prevent musculoskeletal disorders in industrial workers. The randomized cluster was based in characteristics of production sectors. A total cluster will be 4 sectors, and 957 workers will be recruited from a textile industry and randomly allocated into intervention or control groups. Both groups will receive training on ergonomics guidelines. In addition, the intervention group will perform job rotation, switching between tasks with low, moderate, and high risk for musculoskeletal complaints. The primary outcome will be the number of working hours lost due to sick leave by musculoskeletal injuries recorded in employee administrative data bases. Secondary outcomes measured via survey include: body parts with musculoskeletal pain, the intensity of this pain, physical workload, fatigue, general health status, physical activity level, and work productivity. Secondary outcome measures will be assessed at baseline and after 3, 6, 9, and 12 months. The cost-effectiveness analysis will be performed from the societal and company perspective. Prevention of work-related musculoskeletal disorders is beneficial for workers, employers, and society. The results of this study will provide new information about the effectiveness of job rotation as a strategy to reduce work-related musculoskeletal disorders. NCT01979731, November 3, 2013.

The effectiveness of job rotation to prevent work-related musculoskeletal disorders: protocol of a cluster randomized clinical trial

PubMed Central

2014-01-01

Background Job rotation has often been used in situations where the level of exposure cannot be reduced due to the characteristics of the job or through physical measures. However, the effectiveness of the job rotation strategy at preventing musculoskeletal complaints lacks adequate scientific data. Methods/Design A cluster randomized controlled trial will be used to investigate the effectiveness of job rotation to prevent musculoskeletal disorders in industrial workers. The randomized cluster was based in characteristics of production sectors. A total cluster will be 4 sectors, and 957 workers will be recruited from a textile industry and randomly allocated into intervention or control groups. Both groups will receive training on ergonomics guidelines. In addition, the intervention group will perform job rotation, switching between tasks with low, moderate, and high risk for musculoskeletal complaints. The primary outcome will be the number of working hours lost due to sick leave by musculoskeletal injuries recorded in employee administrative data bases. Secondary outcomes measured via survey include: body parts with musculoskeletal pain, the intensity of this pain, physical workload, fatigue, general health status, physical activity level, and work productivity. Secondary outcome measures will be assessed at baseline and after 3, 6, 9, and 12 months. The cost-effectiveness analysis will be performed from the societal and company perspective. Discussion Prevention of work-related musculoskeletal disorders is beneficial for workers, employers, and society. The results of this study will provide new information about the effectiveness of job rotation as a strategy to reduce work-related musculoskeletal disorders. Trial registration NCT01979731, November 3, 2013 PMID:24885958

Evidence for Cluster to Cluster Variations in Low-mass Stellar Rotational Evolution

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Rotational evolution of slow-rotator sequence stars

NASA Astrophysics Data System (ADS)

Lanzafame, A. C.; Spada, F.

2015-12-01

Context. The observed relationship between mass, age and rotation in open clusters shows the progressive development of a slow-rotator sequence among stars possessing a radiative interior and a convective envelope during their pre-main sequence and main-sequence evolution. After 0.6 Gyr, most cluster members of this type have settled on this sequence. Aims: The observed clustering on this sequence suggests that it corresponds to some equilibrium or asymptotic condition that still lacks a complete theoretical interpretation, and which is crucial to our understanding of the stellar angular momentum evolution. Methods: We couple a rotational evolution model, which takes internal differential rotation into account, with classical and new proposals for the wind braking law, and fit models to the data using a Monte Carlo Markov chain (MCMC) method tailored to the problem at hand. We explore to what extent these models are able to reproduce the mass and time dependence of the stellar rotational evolution on the slow-rotator sequence. Results: The description of the evolution of the slow-rotator sequence requires taking the transfer of angular momentum from the radiative core to the convective envelope into account. We find that, in the mass range 0.85-1.10 M⊙, the core-envelope coupling timescale for stars in the slow-rotator sequence scales as M-7.28. Quasi-solid body rotation is achieved only after 1-2 Gyr, depending on stellar mass, which implies that observing small deviations from the Skumanich law (P ∝ √{t}) would require period data of older open clusters than is available to date. The observed evolution in the 0.1-2.5 Gyr age range and in the 0.85-1.10 M⊙ mass range is best reproduced by assuming an empirical mass dependence of the wind angular momentum loss proportional to the convective turnover timescale and to the stellar moment of inertia. Period isochrones based on our MCMC fit provide a tool for inferring stellar ages of solar-like main-sequence stars from their mass and rotation period that is largely independent of the wind braking model adopted. These effectively represent gyro-chronology relationships that take the physics of the two-zone model for the stellar angular momentum evolution into account.

Contributions of Microtubule Dynamic Instability and Rotational Diffusion to Kinetochore Capture.

PubMed

Blackwell, Robert; Sweezy-Schindler, Oliver; Edelmaier, Christopher; Gergely, Zachary R; Flynn, Patrick J; Montes, Salvador; Crapo, Ammon; Doostan, Alireza; McIntosh, J Richard; Glaser, Matthew A; Betterton, Meredith D

2017-02-07

Microtubule dynamic instability allows search and capture of kinetochores during spindle formation, an important process for accurate chromosome segregation during cell division. Recent work has found that microtubule rotational diffusion about minus-end attachment points contributes to kinetochore capture in fission yeast, but the relative contributions of dynamic instability and rotational diffusion are not well understood. We have developed a biophysical model of kinetochore capture in small fission-yeast nuclei using hybrid Brownian dynamics/kinetic Monte Carlo simulation techniques. With this model, we have studied the importance of dynamic instability and microtubule rotational diffusion for kinetochore capture, both to the lateral surface of a microtubule and at or near its end. Over a range of biologically relevant parameters, microtubule rotational diffusion decreased capture time, but made a relatively small contribution compared to dynamic instability. At most, rotational diffusion reduced capture time by 25%. Our results suggest that while microtubule rotational diffusion can speed up kinetochore capture, it is unlikely to be the dominant physical mechanism for typical conditions in fission yeast. In addition, we found that when microtubules undergo dynamic instability, lateral captures predominate even in the absence of rotational diffusion. Counterintuitively, adding rotational diffusion to a dynamic microtubule increases the probability of end-on capture. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Dynamical Analysis and Visualization of Tornadoes Time Series

PubMed Central

2015-01-01

In this paper we analyze the behavior of tornado time-series in the U.S. from the perspective of dynamical systems. A tornado is a violently rotating column of air extending from a cumulonimbus cloud down to the ground. Such phenomena reveal features that are well described by power law functions and unveil characteristics found in systems with long range memory effects. Tornado time series are viewed as the output of a complex system and are interpreted as a manifestation of its dynamics. Tornadoes are modeled as sequences of Dirac impulses with amplitude proportional to the events size. First, a collection of time series involving 64 years is analyzed in the frequency domain by means of the Fourier transform. The amplitude spectra are approximated by power law functions and their parameters are read as an underlying signature of the system dynamics. Second, it is adopted the concept of circular time and the collective behavior of tornadoes analyzed. Clustering techniques are then adopted to identify and visualize the emerging patterns. PMID:25790281

Dynamical analysis and visualization of tornadoes time series.

PubMed

Lopes, António M; Tenreiro Machado, J A

2015-01-01

In this paper we analyze the behavior of tornado time-series in the U.S. from the perspective of dynamical systems. A tornado is a violently rotating column of air extending from a cumulonimbus cloud down to the ground. Such phenomena reveal features that are well described by power law functions and unveil characteristics found in systems with long range memory effects. Tornado time series are viewed as the output of a complex system and are interpreted as a manifestation of its dynamics. Tornadoes are modeled as sequences of Dirac impulses with amplitude proportional to the events size. First, a collection of time series involving 64 years is analyzed in the frequency domain by means of the Fourier transform. The amplitude spectra are approximated by power law functions and their parameters are read as an underlying signature of the system dynamics. Second, it is adopted the concept of circular time and the collective behavior of tornadoes analyzed. Clustering techniques are then adopted to identify and visualize the emerging patterns.

Energy spectra of vibron and cluster models in molecular and nuclear systems

NASA Astrophysics Data System (ADS)

Jalili Majarshin, A.; Sabri, H.; Jafarizadeh, M. A.

2018-03-01

The relation of the algebraic cluster model, i.e., of the vibron model and its extension, to the collective structure, is discussed. In the first section of the paper, we study the energy spectra of vibron model, for diatomic molecule then we derive the rotation-vibration spectrum of 2α, 3α and 4α configuration in the low-lying spectrum of 8Be, 12C and 16O nuclei. All vibrational and rotational states with ground and excited A, E and F states appear to have been observed, moreover the transitional descriptions of the vibron model and α-cluster model were considered by using an infinite-dimensional algebraic method based on the affine \\widehat{SU(1,1)} Lie algebra. The calculated energy spectra are compared with experimental data. Applications to the rotation-vibration spectrum for the diatomic molecule and many-body nuclear clusters indicate that there are solvable models and they can be approximated very well using the transitional theory.

The role of magnetic fields in cluster cooling flows

NASA Technical Reports Server (NTRS)

Soker, Noam; Sarazin, Craig L.

1990-01-01

An investigation is made of the dynamical effects of the intracluster magnetic field, whose radial inflow and shear can produce a dramatic increase in the field's strength while rendering it more radial, with cooling flows. It is found that field reconnection is the most likely dominant-loss mechanism, so that buoyancy effects are probably not important. Attention is given to the effect of the magnetic field on thermal instabilities. The most important observable effect of the magnetic field in cooling flows will probably be very strong Faraday rotation of the polarization of radio sources within or behind the cooling flow.

Supermassive black holes and central star clusters: Connection with the host galaxy kinematics and color

NASA Astrophysics Data System (ADS)

Zasov, A. V.; Cherepashchuk, A. M.

2013-11-01

The relationship between the masses of the central, supermassive black holes ( M bh) and of the nuclear star clusters ( M nc) of disk galaxies with various parameters galaxies are considered: the rotational velocity at R = 2 kpc V (2), the maximum rotational velocity V max, the indicative dynamical mass M 25, the integrated mass of the stellar population M *, and the integrated color index B-V. The rotational velocities andmasses of the central objects were taken from the literature. Themass M nc correlatesmore closely with the kinematic parameters and the disk mass than M bh, including with the velocity V max, which is closely related to the virial mass of the dark halo. On average, lenticular galaxies are characterized by higher masses M bh compared to other types of galaxies with similar characteristics. The dependence of the blackhole mass on the color index is bimodal: galaxies of the red group (red-sequence) with B-V >0.6-0.7 which are mostly early-type galaxies with weak star formation, differ appreciably from blue galaxies, which have higher values of M nc and M bh. At the dependences we consider between the masses of the central objects and the parameters of the host galaxies (except for the dependence of M bh on the central velocity dispersion), the red-group galaxies have systematically higher M bh values, even when the host-galaxy parameters are similar. In contrast, in the case of nuclear star clusters, the blue and red galaxies form unified sequences. The results agree with scenarios in which most red-group galaxies form as a result of the partial or complete loss of interstellar gas in a stage of high nuclear activity in galaxies whose central black-hole masses exceed 106-107 M ⊙ (depending on the mass of the galaxy itself). The bulk of disk galaxies with M bh > 107 M ⊙ are lenticular galaxies (types S0, E/S0) whose disks are practically devoid of gas.

Sterically Hindered Chiral Organometallic Complexes: AN X-Ray Crystallographic, NMR Spectroscopic and Ehmo Study.

NASA Astrophysics Data System (ADS)

Malisza, Krisztina Laura

Sterically crowded organometallic complexes present fascinating problems of structure and molecular dynamics. Tetrahedral clusters such as (RCequivCR ^')rm(C_5H_5)_2M _2(CO)_4, where M = Mo or W, crystallize in conformations possessing three terminal carbonyls while the fourth is semi-bridging. However, these ligands undergo a rapid exchange process which can be followed by variable -temperature NMR spectroscopy. When the R substituent is derived from a chiral natural product, the low temperature NMR spectra reveal the presence of diastereomers which are interconvertible via rotations of the organometallic vertices. The fluxional behaviour of tetrahedral clusters containing such vertices as Co(CO)_3, Fe(CO)_3 or rm(C_5H _5)Mo(CO)_2 can be rationalized by means of molecular orbital calculations at the extended Huckel level of approximation. These studies show that the barriers to vertex rotation can usually be traced to one principal orbital interaction in each case. However, in rm(C_5H_5)_2Mo_2(CO) _4(R-CequivC-R) clusters, the barriers are primarily steric in character. The ability of transition metal clusters to delocalize electronic charge is well known and, in principle, could be used to stabilize intermediates of biochemical significance. Treatment of 2-methylcyclopentanone with an alkyne anion was carried out in order to generate 1-alkynyl-2-methylcyclopentanols in which the methyl and alkynyl groups are trans diaxial; the aim was to mimic the "D"-ring of the steroidal contraceptive mestranol. In fact, the major epimer was the one in which the methyl and alkynyl substituents were disposed in a cis manner. The conformation of 2-methyl-1-phenylethynylcyclopentanol 47 was elucidated by two-dimensional NMR techniques. Moreover, the structure of 47 and also of its rm Co _2(CO)_6 derivative have been determined crystallographically. Protonation of the dicobalt or dimolybdenum complexes of 47 lead to stable cations; treatment of these cations with nucleophiles results in elimination of water to yield 2-methylcyclopentene derivatives of which the dimolybdenum cluster has been characterized by x-ray crystallography. The sterically crowded complexes rm(C _6H_5)_3SiOH[ Cr(CO)_3 ]_{n}, where n = 1,2,3, have also been characterized X-ray crystallographically and all three have propellor-type geometries. The question of whether the phenyl ring rotations are correlated has been studied by variable-temperature NMR spectroscopy. These systems do not yield stable silicenium cations, but the analogous Cr(CO)_3 complex of triphenylcarbinol not only shows fluxional behaviour but also yields a metal -stabilized cation. The pathway for phenyl rotations in such systems can be followed via a Dunitz-type trajectory approach in which a number of x-ray structures were analyzed.

Luminosity-velocity diagrams for Virgo Cluster spirals. I - Inner rotation curves

NASA Technical Reports Server (NTRS)

Woods, David; Fahlman, Gregory G.; Madore, Barry F.

1990-01-01

Optical rotation curves are presented for the innermost portions of nine spiral galaxies in the Virgo Cluster. The emission-line (H-alpha and forbidden N II) velocity data are to be used in combination with new CCD photometry to construct luminosity-velocity diagrams, in a continuing investigation of an apparent initial linear branch and its potential as a distance indicator. Compared to recent H I data, the present optical rotation curves generally show systematically steeper inner gradients. This effect is ascribed to the poorer resolution of the H I data and/or to holes in the gas distribution.

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

Zuniga-Gutierrez, Bernardo, E-mail: bzuniga.51@gmail.com; Camacho-Gonzalez, Monica; Bendana-Castillo, Alfonso

The computation of the spin-rotation tensor within the framework of auxiliary density functional theory (ADFT) in combination with the gauge including atomic orbital (GIAO) scheme, to treat the gauge origin problem, is presented. For the spin-rotation tensor, the calculation of the magnetic shielding tensor represents the most demanding computational task. Employing the ADFT-GIAO methodology, the central processing unit time for the magnetic shielding tensor calculation can be dramatically reduced. In this work, the quality of spin-rotation constants obtained with the ADFT-GIAO methodology is compared with available experimental data as well as with other theoretical results at the Hartree-Fock and coupled-clustermore » level of theory. It is found that the agreement between the ADFT-GIAO results and the experiment is good and very similar to the ones obtained by the coupled-cluster single-doubles-perturbative triples-GIAO methodology. With the improved computational performance achieved, the computation of the spin-rotation tensors of large systems or along Born-Oppenheimer molecular dynamics trajectories becomes feasible in reasonable times. Three models of carbon fullerenes containing hundreds of atoms and thousands of basis functions are used for benchmarking the performance. Furthermore, a theoretical study of temperature effects on the structure and spin-rotation tensor of the H{sup 12}C–{sup 12}CH–DF complex is presented. Here, the temperature dependency of the spin-rotation tensor of the fluorine nucleus can be used to identify experimentally the so far unknown bent isomer of this complex. To the best of our knowledge this is the first time that temperature effects on the spin-rotation tensor are investigated.« less

Fast Rotational Diffusion of Water Molecules in a 2D Hydrogen Bond Network at Cryogenic Temperatures

NASA Astrophysics Data System (ADS)

Prisk, T. R.; Hoffmann, C.; Kolesnikov, A. I.; Mamontov, E.; Podlesnyak, A. A.; Wang, X.; Kent, P. R. C.; Anovitz, L. M.

2018-05-01

Individual water molecules or small clusters of water molecules contained within microporous minerals present an extreme case of confinement where the local structure of hydrogen bond networks are dramatically altered from bulk water. In the zinc silicate hemimorphite, the water molecules form a two-dimensional hydrogen bond network with hydroxyl groups in the crystal framework. Here, we present a combined experimental and theoretical study of the structure and dynamics of water molecules within this network. The water molecules undergo a continuous phase transition in their orientational configuration analogous to a two-dimensional Ising model. The incoherent dynamic structure factor reveals two thermally activated relaxation processes, one on a subpicosecond timescale and another on a 10-100 ps timescale, between 70 and 130 K. The slow process is an in-plane reorientation of the water molecule involving the breaking of hydrogen bonds with a framework that, despite the low temperatures involved, is analogous to rotational diffusion of water molecules in the bulk liquid. The fast process is a localized motion of the water molecule with no apparent analogs among known bulk or confined phases of water.

Fast Rotational Diffusion of Water Molecules in a 2D Hydrogen Bond Network at Cryogenic Temperatures

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

Prisk, Timothy; Hoffmann, Christina; Kolesnikov, Alexander I.

Individual water molecules or small clusters of water molecules contained within microporous minerals present an extreme case of confinement where the local structure of hydrogen bond networks are dramatically altered from bulk water. In the zinc silicate hemimorphite, the water molecules form a two-dimensional hydrogen bond network with hydroxyl groups in the crystal framework. Here in this paper, we present a combined experimental and theoretical study of the structure and dynamics of water molecules within this network. The water molecules undergo a continuous phase transition in their orientational configuration analogous to a two-dimensional Ising model. The incoherent dynamic structure factormore » reveals two thermally activated relaxation processes, one on a subpicosecond timescale and another on a 10–100 ps timescale, between 70 and 130 K. The slow process is an in-plane reorientation of the water molecule involving the breaking of hydrogen bonds with a framework that, despite the low temperatures involved, is analogous to rotational diffusion of water molecules in the bulk liquid. The fast process is a localized motion of the water molecule with no apparent analogs among known bulk or confined phases of water.« less

Fast Rotational Diffusion of Water Molecules in a 2D Hydrogen Bond Network at Cryogenic Temperatures

DOE PAGES

Prisk, Timothy; Hoffmann, Christina; Kolesnikov, Alexander I.; ...

2018-05-09

Individual water molecules or small clusters of water molecules contained within microporous minerals present an extreme case of confinement where the local structure of hydrogen bond networks are dramatically altered from bulk water. In the zinc silicate hemimorphite, the water molecules form a two-dimensional hydrogen bond network with hydroxyl groups in the crystal framework. Here in this paper, we present a combined experimental and theoretical study of the structure and dynamics of water molecules within this network. The water molecules undergo a continuous phase transition in their orientational configuration analogous to a two-dimensional Ising model. The incoherent dynamic structure factormore » reveals two thermally activated relaxation processes, one on a subpicosecond timescale and another on a 10–100 ps timescale, between 70 and 130 K. The slow process is an in-plane reorientation of the water molecule involving the breaking of hydrogen bonds with a framework that, despite the low temperatures involved, is analogous to rotational diffusion of water molecules in the bulk liquid. The fast process is a localized motion of the water molecule with no apparent analogs among known bulk or confined phases of water.« less

Towards Solvation of a Chiral Alpha-Hydroxy Ester: Broadband Chirp and Narrow Band Cavity Fouirier Transform Microwave Spectroscopy of Methyl Lactate-Water Clusters

NASA Astrophysics Data System (ADS)

Thomas, Javix; Sukhorukov, Oleksandr; Jaeger, Wolfgang; Xu, Yunjie

2013-06-01

Methyl lactate (ML), a chiral alpha-hydroxy ester, has attracted much attention as a prototype system in studies of chirality transfer,[1] solvation effects on chiroptical signatures,[2] and chirality recognition.[3] It has multiple functional groups which can serve both as a hydrogen donor and acceptor. By applying rotational spectroscopy and high level ab initio calculations, we examine the delicate competition between inter- and intramolecular hydrogen-bonding in the ML-water clusters. Broadband rotational spectra obtained with a chirp Fourier transform microwave (FTMW) spectrometer, reveal that the insertion conformations are the most favourable ones in the binary and ternary solvated complexes. In the insertion conformations, the water molecule(s) inserts itself (themselves) into the existing intramolecular hydrogen-bonded ring formed between the alcoholic hydroxyl group and the oxygen of the carbonyl group of ML. The final frequency measurements have been carried out using a cavity based FTMW instrument where internal rotation splittings due to the ester methyl group have also been detected. A number of insertion conformers with subtle structural differences for both the binary and ternary complexes have been identified theoretically. The interconversion dynamics of these conformers and the identification of the most favorable conformers will be discussed. 1. C. Merten, Y. Xu, Angew. Chem. Int. Ed., 2013, 52, 2073 -2076. 2. M. Losada, Y. Xu, Phys. Chem. Chem. Phys., 2007, 9, 3127-3135; Y. Liu, G. Yang, M. Losada, Y. Xu, J. Chem. Phys., 2010, 132, 234513/1-11. 3. A. Zehnacker, M. Suhm, Angew. Chem. Int. Ed. 2008, 47, 6970 - 6992.

Broadband Microwave Spectroscopy as a Tool to Study Dispersion Interactions in Camphor-Alcohol Systems

NASA Astrophysics Data System (ADS)

Fatima, Mariyam; Perez, Cristobal; Schnell, Melanie

2016-06-01

Many biological processes such as chemical recognition and protein folding are mainly controlled by the interplay between hydrogen bonds and dispersive forces. Broadband rotational spectroscopy studies of weakly bound complexes are able to accurately reveal the structures and internal dynamics of molecular clusters isolated in the gas phase. To investigate the influence of the interplay between different types of weak intermolecular interactions and how it controls the preferred active sites of an amphiphilic molecule, we are using camphor (C10H16O, 1,7,7-trimethylbicyclo[2.2.1]hepta-2-one) with different aliphatic alcohol systems. Camphor is a conformationally rigid bicyclic molecule endowed with considerable steric hindrance and has a single polar group (-C=O). The rotational spectrum of camphor and its structure has been previously reported [1] as well as multiple clusters with water [2]. In order to determine the structure of the camphor-alcohol complexes, we targeted low energy rotational transitions in the 2-8 GHz range under the isolated conditions of a molecular jet in the gas phase. The data obtained suggests that camphor forms one complex with methanol and two with ethanol, with differences in the intermolecular interaction in both complexes. With these results, we aim to study the shift in intermolecular interaction from hydrogen bonding to dispersion with the increase in the size of the aliphatic alcohol. [1] Z. Kisiel, et al., Phys. Chem. Chem. Phys., 5 (2003), 820-826. [2] C. Pérez, et al, J. Phys. Chem. Lett., 7 (2016), 154-160.

Rotational Periods and Starspot Activity of Young Solar-Type Dwarfs in the Open Cluster IC 4665

NASA Technical Reports Server (NTRS)

Allain, S.; Bouvier, J.; Prosser, C.; Marschall, L. A.; Laaksonen, B. D.

1995-01-01

We present the results of a V-band photometric monitoring survey of 15 late-type dwarfs in the young open cluster IC 4665. Low-amplitude periodic light variations are found for 8 stars and ascribed to the modulation by starspots that cover typically a few percent of the stellar disk. Periods range from 0.6 to 3.7 d, translating to equatorial velocities between 13 and 93 km/s. That no period longer than 4 d was detected suggests a relative paucity of extremely slow rotators (V(sub eq) much less than 10 km/s) among late-type dwarfs in IC 4665. The fractional number of slow rotators in IC 4665 is similar to that of Alpha Per cluster, suggesting that IC 4665 is close in age to Alpha Per (approx. 50 Myr).

Asteroid clusters similar to asteroid pairs

NASA Astrophysics Data System (ADS)

Pravec, Petr; Vokrouhlicky, David; Fatka, Petr; Kusnirák, Peter; Hornoch, Kamil; Galád, Adrián

2016-10-01

We study five small, tight and young clusters of asteroids. They are placed around following largest (primary) bodies: (11842) Kap'bos, (14627) Emilkowalski, (16598) 1992 YC2, (21509) Lucascavin and (39991) 1998 HR37. Each cluster has 2-4 secondaries that are tightly clustered around the primary body, with distance in the 5-dimensional space of mean orbital elements mostly within 10 m/s, and always < 23 m/s. Backward orbital integrations indicate that they formed between 105 and 106 yr ago. In the P1-q space, where P1 is the primary's spin period and q = Σ Mj/M1 is the total secondary-to-primary mass ratio, the clusters lie in the same range as asteroid pairs formed by rotational fission. We have extended the model of a proto-system separation after rotational fission by Pravec et al. (2010) for application to systems with more than one secondary and found a perfect match for the five tight clusters. We find these clusters to be similar to asteroid pairs and we suggest that they are "extended pairs", having 2-4 escaped secondaries rather than just one secondary as in the case of an asteroid pair. We compare them to six young mini-families (1270) Datura, (2384) Schulhof, (3152) Jones, (6825) Irvine, (10321) Rampo and (20674) 1999 VT1. These mini-families have similar ages, but they have a higher number of members and/or they show a significantly larger spread in the mean orbital elements (dmean on an order of tens m/s) than the five tight clusters. In the P1-q space, all but one of the mini-families lie in the same range as asteroid pairs and the tight clusters; the exception is the mini-family of (3152) Jones which appears to be a collisional family. A possibility that the other five mini-families were also formed by rotational fission as we suggest for the tight clusters ("extended asteroid pairs") is being explored.Reference:Pravec, P., et al. Formation of asteroid pairs by rotational fission. Nature 466, 1085-1088.

Kinetics of motility-induced phase separation and swim pressure

NASA Astrophysics Data System (ADS)

Patch, Adam; Yllanes, David; Marchetti, M. Cristina

2017-01-01

Active Brownian particles (ABPs) represent a minimal model of active matter consisting of self-propelled spheres with purely repulsive interactions and rotational noise. Here we examine the pressure of ABPs in two dimensions in both closed boxes and systems with periodic boundary conditions and show that its nonmonotonic behavior with density is a general property of ABPs and is not the result of finite-size effects. We correlate the time evolution of the mean pressure towards its steady-state value with the kinetics of motility-induced phase separation. For parameter values corresponding to phase-separated steady states, we identify two dynamical regimes. The pressure grows monotonically in time during the initial regime of rapid cluster formation, overshooting its steady-state value and then quickly relaxing to it, and remains constant during the subsequent slower period of cluster coalescence and coarsening. The overshoot is a distinctive feature of active systems.

Formation of Cool Cores in Galaxy Clusters via Hierarchical Mergers

NASA Astrophysics Data System (ADS)

Motl, Patrick M.; Burns, Jack O.; Loken, Chris; Norman, Michael L.; Bryan, Greg

2004-05-01

We present a new scenario for the formation of cool cores in rich galaxy clusters, based on results from recent high spatial dynamic range, adaptive mesh Eulerian hydrodynamic simulations of large-scale structure formation. We find that cores of cool gas, material that would be identified as a classical cooling flow on the basis of its X-ray luminosity excess and temperature profile, are built from the accretion of discrete stable subclusters. Any ``cooling flow'' present is overwhelmed by the velocity field within the cluster; the bulk flow of gas through the cluster typically has speeds up to about 2000 km s-1, and significant rotation is frequently present in the cluster core. The inclusion of consistent initial cosmological conditions for the cluster within its surrounding supercluster environment is crucial when the evolution of cool cores in rich galaxy clusters is simulated. This new model for the hierarchical assembly of cool gas naturally explains the high frequency of cool cores in rich galaxy clusters, despite the fact that a majority of these clusters show evidence of substructure that is believed to arise from recent merger activity. Furthermore, our simulations generate complex cluster cores in concordance with recent X-ray observations of cool fronts, cool ``bullets,'' and filaments in a number of galaxy clusters. Our simulations were computed with a coupled N-body, Eulerian, adaptive mesh refinement, hydrodynamics cosmology code that properly treats the effects of shocks and radiative cooling by the gas. We employ up to seven levels of refinement to attain a peak resolution of 15.6 kpc within a volume 256 Mpc on a side and assume a standard ΛCDM cosmology.

New symmetry of the cluster model

NASA Astrophysics Data System (ADS)

Gai, Moshe

2015-10-01

A new approach to clustering in the frame of the Algebraic Cluster Model (ACM) has been developed. It predicts rotation-vibration structure with rotational band of an oblate equilateral triangular spinning top with a 𝒟3h symmetry characterized by the sequence of states: 0+, 2+, 3-, 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Our measurement of the new 22+ and the measured of the new 5- state in 12C fit very well to the predicted (ground state) rotational band structure with the sequence of states: 0+, 2+, 3-, 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Such a 𝒟3h symmetry was observed in triatomic molecules, and it is observed in 12C for the first time in nuclear physics. We discuss a classification of other rotation-vibration bands in 12C such as the (0+) Hoyle band and the (1-) bending mode band and suggest measurements in search of the predicted ("missing") states that may shed new light on clustering in 12C and light nuclei. In particular, the observation (or non observation) of the predicted ("missing") states in the Hoyle band will allow us to conclude the geometrical arrangement of the three alpha particles composing the Hoyle state at 7.654 MeV in 12C.

Tests of Predictions of the Algebraic Cluster Model: the Triangular D 3h Symmetry of 12C

NASA Astrophysics Data System (ADS)

Gai, Moshe

2016-07-01

A new theoretical approach to clustering in the frame of the Algebraic Cluster Model (ACM) has been developed. It predicts rotation-vibration structure with rotational band of an oblate equilateral triangular symmetric spinning top with a D 3h symmetry characterized by the sequence of states: 0+, 2+, 3-, 4±, 5- with a degenerate 4+ and 4- (parity doublet) states. Our measured new 2+ 2 in 12C allows the first study of rotation-vibration structure in 12C. The newly measured 5- state and 4- states fit very well the predicted ground state rotational band structure with the predicted sequence of states: 0+, 2+, 3-, 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Such a D 3h symmetry is characteristic of triatomic molecules, but it is observed in the ground state rotational band of 12C for the first time in a nucleus. We discuss predictions of the ACM of other rotation-vibration bands in 12 C such as the (0+) Hoyle band and the (1-) bending mode with prediction of (“missing 3- and 4-”) states that may shed new light on clustering in 12C and light nuclei. In particular, the observation (or non observation) of the predicted (“missing”) states in the Hoyle band will allow us to conclude the geometrical arrangement of the three alpha particles composing the Hoyle state at 7.6542 MeV in 12C. We discuss proposed research programs at the Darmstadt S-DALINAC and at the newly constructed ELI-NP facility near Bucharest to test the predictions of the ACM in isotopes of carbon.

Current and Future Tests of the Algebraic Cluster Model of12C

NASA Astrophysics Data System (ADS)

Gai, Moshe

2017-07-01

A new theoretical approach to clustering in the frame of the Algebraic Cluster Model (ACM) has been developed. It predicts, in12C, rotation-vibration structure with rotational bands of an oblate equilateral triangular symmetric spinning top with a D 3h symmetry characterized by the sequence of states: 0+, 2+, 3-, 4±, 5- with a degenerate 4+ and 4- (parity doublet) states. Our newly measured {2}2+ state in12C allows the first study of rotation-vibration structure in12C. The newly measured 5- state and 4- states fit very well the predicted ground state rotational band structure with the predicted sequence of states: 0+, 2+, 3-, 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Such a D 3h symmetry is characteristic of triatomic molecules, but it is observed in the ground state rotational band of12C for the first time in a nucleus. We discuss predictions of the ACM of other rotation-vibration bands in12C such as the (0+) Hoyle band and the (1-) bending mode with prediction of (“missing 3- and 4-”) states that may shed new light on clustering in12C and light nuclei. In particular, the observation (or non observation) of the predicted (“missing”) states in the Hoyle band will allow us to conclude the geometrical arrangement of the three alpha particles composing the Hoyle state at 7.6542 MeV in12C. We discuss proposed research programs at the Darmstadt S- DALINAC and at the newly constructed ELI-NP facility near Bucharest to test the predictions of the ACM in isotopes of carbon.

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

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

Coker, Carl T.; Pinsonneault, Marc; Terndrup, Donald M., E-mail: coker@astronomy.ohio-state.edu, E-mail: pinsono@astronomy.ohio-state.edu, E-mail: terndrup@astronomy.ohio-state.edu

2016-12-10

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

Not-so-simple stellar populations in the intermediate-age Large Magellanic Cloud star clusters NGC 1831 and NGC 1868

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

Li, Chengyuan; De Grijs, Richard; Deng, Licai, E-mail: joshuali@pku.edu.cn, E-mail: grijs@pku.edu.cn

2014-04-01

Using a combination of high-resolution Hubble Space Telescope/Wide-Field and Planetary Camera-2 observations, we explore the physical properties of the stellar populations in two intermediate-age star clusters, NGC 1831 and NGC 1868, in the Large Magellanic Cloud based on their color-magnitude diagrams. We show that both clusters exhibit extended main-sequence turn offs. To explain the observations, we consider variations in helium abundance, binarity, age dispersions, and the fast rotation of the clusters' member stars. The observed narrow main sequence excludes significant variations in helium abundance in both clusters. We first establish the clusters' main-sequence binary fractions using the bulk of themore » clusters' main-sequence stellar populations ≳ 1 mag below their turn-offs. The extent of the turn-off regions in color-magnitude space, corrected for the effects of binarity, implies that age spreads of order 300 Myr may be inferred for both clusters if the stellar distributions in color-magnitude space were entirely due to the presence of multiple populations characterized by an age range. Invoking rapid rotation of the population of cluster members characterized by a single age also allows us to match the observed data in detail. However, when taking into account the extent of the red clump in color-magnitude space, we encounter an apparent conflict for NGC 1831 between the age dispersion derived from that based on the extent of the main-sequence turn off and that implied by the compact red clump. We therefore conclude that, for this cluster, variations in stellar rotation rate are preferred over an age dispersion. For NGC 1868, both models perform equally well.« less

Stellar models with microscopic diffusion and rotational mixing. 2: Application to open clusters

NASA Technical Reports Server (NTRS)

Chaboyer, B.; Demarque, P.; Pinsonneault, M. H.

1995-01-01

Stellar models with masses ranging from 05.5 to 1.3 solar mass were constructed for comparison with young cluster observations of Li and of rotation velocities. The amount of Li depletion in cool stars is sensitive to the amount of overshoot at the base of the surface convection zone, and the exact metallicity of the models. Even when this is taken into account, the Li observations are a severe constraint for the models and rule out standard models and pure diffusion models. Stellar models which include diffusion and rotational mixing in the radiative regions of stars are able to simultaneously match the Li abundances observed in the Pleiades, the UMa Group, The Hyades, Praesepe, NGC 752, and M67. They also match the observed rotation periods in the Hyades. However, these models are unable to simultaneously explain the presence of the rapidly rotating late G and K stars in the Pleiades and the absence of rapidly rotating late F and early G stars.

Accretion-induced luminosity spreads in young clusters: evidence from stellar rotation

NASA Astrophysics Data System (ADS)

Littlefair, S. P.; Naylor, Tim; Mayne, N. J.; Saunders, Eric; Jeffries, R. D.

2011-05-01

We present an analysis of the rotation of young stars in the associations Cepheus OB3b, NGC 2264, 2362 and the Orion Nebula Cluster (ONC). We discover a correlation between rotation rate and position in a colour-magnitude diagram (CMD) such that stars which lie above an empirically determined median pre-main sequence rotate more rapidly than stars which lie below this sequence. The same correlation is seen, with a high degree of statistical significance, in each association studied here. If position within the CMD is interpreted as being due to genuine age spreads within a cluster, then the stars above the median pre-main sequence would be the youngest stars. This would in turn imply that the most rapidly rotating stars in an association are the youngest, and hence those with the largest moments of inertia and highest likelihood of ongoing accretion. Such a result does not fit naturally into the existing picture of angular momentum evolution in young stars, where the stars are braked effectively by their accretion discs until the disc disperses. Instead, we argue that, for a given association of young stars, position within the CMD is not primarily a function of age, but of accretion history. We show that this hypothesis could explain the correlation we observe between rotation rate and position within the CMD.

Kinematics of the Normal Knee during Dynamic Activities: A Synthesis of Data from Intracortical Pins and Biplane Imaging

PubMed Central

Gasparutto, Xavier; Moissenet, Florent; Lafon, Yoann

2017-01-01

Few studies have provided in vivo tibiofemoral kinematics of the normal knee during dynamic weight-bearing activities. Indeed, gold standard measurement methods (i.e., intracortical pins and biplane imaging) raise ethical and experimental issues. Moreover, the conventions used for the processing of the kinematics show large inconsistencies. This study aims at synthesising the tibiofemoral kinematics measured with gold standard measurement methods. Published kinematic data were transformed in the standard recommended by the International Society of Biomechanics (ISB), and a clustering method was applied to investigate whether the couplings between the degrees of freedom (DoFs) are consistent among the different activities and measurement methods. The synthesised couplings between the DoFs during knee flexion (from 4° of extension to −61° of flexion) included abduction (up to −10°); internal rotation (up to 15°); and medial (up to 10 mm), anterior (up to 25 mm), and proximal (up to 28 mm) displacements. These synthesised couplings appeared mainly partitioned into two clusters that featured all the dynamic weight-bearing activities and all the measurement methods. Thus, the effect of the dynamic activities on the couplings between the tibiofemoral DoFs appeared to be limited. The synthesised data might be used as a reference of normal in vivo knee kinematics for prosthetic and orthotic design and for knee biomechanical model development and validation. PMID:28487620

Brownian cluster dynamics with short range patchy interactions: Its application to polymers and step-growth polymerization

NASA Astrophysics Data System (ADS)

Prabhu, A.; Babu, S. B.; Dolado, J. S.; Gimel, J.-C.

2014-07-01

We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel potential to describe patchy interactions between particles. This technique gives access to static properties, dynamics and kinetics of the system, even far from the equilibrium. Particle thermal motions are modeled using billions of independent small random translations and rotations, constrained by the excluded volume and the connectivity. This algorithm, applied to a single polymer chain leads to correct static and dynamic properties, in the framework where hydrodynamic interactions are ignored. By varying patch angles, various local chain flexibilities can be obtained. We have used this new algorithm to model step-growth polymerization under various solvent qualities. The polymerization reaction is modeled by an irreversible aggregation between patches while an isotropic finite square-well potential is superimposed to mimic the solvent quality. In bad solvent conditions, a competition between a phase separation (due to the isotropic interaction) and polymerization (due to patches) occurs. Surprisingly, an arrested network with a very peculiar structure appears. It is made of strands and nodes. Strands gather few stretched chains that dip into entangled globular nodes. These nodes act as reticulation points between the strands. The system is kinetically driven and we observe a trapped arrested structure. That demonstrates one of the strengths of this new simulation technique. It can give valuable insights about mechanisms that could be involved in the formation of stranded gels.

Rotational Dynamics of Proteins from Spin Relaxation Times and Molecular Dynamics Simulations.

PubMed

Ollila, O H Samuli; Heikkinen, Harri A; Iwaï, Hideo

2018-06-14

Conformational fluctuations and rotational tumbling of proteins can be experimentally accessed with nuclear spin relaxation experiments. However, interpretation of molecular dynamics from the experimental data is often complicated, especially for molecules with anisotropic shape. Here, we apply classical molecular dynamics simulations to interpret the conformational fluctuations and rotational tumbling of proteins with arbitrarily anisotropic shape. The direct calculation of spin relaxation times from simulation data did not reproduce the experimental data. This was successfully corrected by scaling the overall rotational diffusion coefficients around the protein inertia axes with a constant factor. The achieved good agreement with experiments allowed the interpretation of the internal and overall dynamics of proteins with significantly anisotropic shape. The overall rotational diffusion was found to be Brownian, having only a short subdiffusive region below 0.12 ns. The presented methodology can be applied to interpret rotational dynamics and conformation fluctuations of proteins with arbitrary anisotropic shape. However, a water model with more realistic dynamical properties is probably required for intrinsically disordered proteins.

Lithium in lower-main-sequence stars of the Alpha Persei cluster

NASA Technical Reports Server (NTRS)

Balachandran, Suchitra; Lambert, David L.; Stauffer, John R.

1988-01-01

Lithium abundances are presented for main-sequence stars of spectral types F, G, and K in the young open cluster Alpha Per. For 46 cluster members, a correlation between Li abundance and projected rotational velocity v sin i is found: all of the Li-poor stars are slow rotators. Two explanations are proposed to account for the correlation: (1) that the Li depletion is introduced following a rapid spin-down phase experienced by young low-mass stars, and that this episode of Li depletion may be the dominant one determining the spread of Li abundances among young low-mass main-sequence stars, and (2) that star formation has occurred over a finite period such that the older stars have undergone a spin-down and depletion of Li by a means that may or may not depend on rotation. The Li abundance in the warm and rapidly rotating stars appears to be undepleted, as is predicted by recent models of pre-main-sequence stars. The depletion observed in the cool stars exceeds the level predicted by these models.

THE NEXT GENERATION VIRGO CLUSTER SURVEY XVI: THE ANGULAR MOMENTUM OF DWARF EARLY-TYPE GALAXIES FROM GLOBULAR CLUSTER SATELLITES

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

Toloba, Elisa; Guhathakurta, Puragra; Li, Biao

2016-05-01

We analyze the kinematics of six Virgo cluster dwarf early-type galaxies (dEs) from their globular cluster (GC) systems. We present new Keck/DEIMOS spectroscopy for three of them and re-analyze the data found in the literature for the remaining three. We use two independent methods to estimate the rotation amplitude ( V {sub rot}) and velocity dispersion ( σ {sub GC}) of the GC systems and evaluate their statistical significance by simulating non-rotating GC systems with the same number of GC satellites and velocity uncertainties. Our measured kinematics agree with the published values for the three galaxies from the literature and,more » in all cases, some rotation is measured. However, our simulations show that the null hypothesis of being non-rotating GC systems cannot be ruled out. In the case of VCC 1861, the measured V {sub rot} and the simulations indicate that it is not rotating. In the case of VCC 1528, the null hypothesis can be marginally ruled out, and thus it might be rotating although further confirmation is needed. In our analysis, we find that, in general, the measured V {sub rot} tends to be overestimated and the measured σ {sub GC} tends to be underestimated by amounts that depend on the intrinsic V {sub rot}/ σ {sub GC}, the number of observed GCs ( N {sub GC}), and the velocity uncertainties. The bias is negligible when N {sub GC} ≳ 20. In those cases where a large N {sub GC} is not available, it is imperative to obtain data with small velocity uncertainties. For instance, errors of ≤2 km s{sup −1} lead to V {sub rot} < 10 km s{sup −1} for a system that is intrinsically not rotating.« less

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

Context. Low-mass members of young loose stellar associations and open clusters exhibit a wide spread of rotation periods. Such a spread originates from the distributions of masses and initial rotation periods. However, multiplicity can also play a significant role. Aims: We aim to investigate the role played by physical companions in multiple systems in shortening the primordial disk lifetime, anticipating the rotation spin up with respect to single stars. Methods: We have compiled the most extensive list to date of low-mass bona fide and candidate members of the young 25-Myr β Pictoris association. We have measured from our own photometric time series or from archival time series the rotation periods of almost all members. In a few cases the rotation periods were retrieved from the literature. We used updated UVWXYZ components to assess the membership of the whole stellar sample. Thanks to the known basic properties of most members we built the rotation period distribution distinguishing between bona fide members and candidate members and according to their multiplicity status. Results: We find that single stars and components of multiple systems in wide orbits (>80 AU) have rotation periods that exhibit a well defined sequence arising from mass distribution with some level of spread likely arising from initial rotation period distribution. All components of multiple systems in close orbits (<80 AU) have rotation periods that are significantly shorter than their equal-mass single counterparts. For these close components of multiple systems a linear dependence of rotation rate on separation is only barely detected. A comparison with the younger 13 Myr h Per cluster and with the older 40-Myr open clusters and stellar associations NGC 2547, IC 2391, Argus, and IC 2602 and the 130-Myr Pleiades shows that whereas the evolution of F-G stars is well reproduced by angular momentum evolution models, this is not the case for the slow K and early-M stars. Finally, we find that the amplitude of their light curves is correlated neither with rotation nor with mass. Conclusions: Once single stars and wide components of multiple systems are separated from close components of multiple systems, the rotation period distributions exhibit a well defined dependence on mass that allows us to make a meaningful comparison with similar distributions of either younger or older associations and clusters. Such cleaned distributions allow us to use the stellar rotation period meaningfully as an age indicator for F and G type stars. Tables 2 and 3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/607/A3

Dynamical stability of the one-dimensional rigid Brownian rotator: the role of the rotator’s spatial size and shape

NASA Astrophysics Data System (ADS)

Jeknić-Dugić, Jasmina; Petrović, Igor; Arsenijević, Momir; Dugić, Miroljub

2018-05-01

We investigate dynamical stability of a single propeller-like shaped molecular cogwheel modelled as the fixed-axis rigid rotator. In the realistic situations, rotation of the finite-size cogwheel is subject to the environmentally-induced Brownian-motion effect that we describe by utilizing the quantum Caldeira-Leggett master equation. Assuming the initially narrow (classical-like) standard deviations for the angle and the angular momentum of the rotator, we investigate the dynamics of the first and second moments depending on the size, i.e. on the number of blades of both the free rotator as well as of the rotator in the external harmonic field. The larger the standard deviations, the less stable (i.e. less predictable) rotation. We detect the absence of the simple and straightforward rules for utilizing the rotator’s stability. Instead, a number of the size-related criteria appear whose combinations may provide the optimal rules for the rotator dynamical stability and possibly control. In the realistic situations, the quantum-mechanical corrections, albeit individually small, may effectively prove non-negligible, and also revealing subtlety of the transition from the quantum to the classical dynamics of the rotator. As to the latter, we detect a strong size-dependence of the transition to the classical dynamics beyond the quantum decoherence process.

Rapidly rotating second-generation progenitors for the 'blue hook' stars of ω Centauri.

PubMed

Tailo, Marco; D'Antona, Francesca; Vesperini, Enrico; Di Criscienzo, Marcella; Ventura, Paolo; Milone, Antonino P; Bellini, Andrea; Dotter, Aaron; Decressin, Thibaut; D'Ercole, Annibale; Caloi, Vittoria; Capuzzo-Dolcetta, Roberto

2015-07-16

Horizontal branch stars belong to an advanced stage in the evolution of the oldest stellar galactic population, occurring either as field halo stars or grouped in globular clusters. The discovery of multiple populations in clusters that were previously believed to have single populations gave rise to the currently accepted theory that the hottest horizontal branch members (the 'blue hook' stars, which had late helium-core flash ignition, followed by deep mixing) are the progeny of a helium-rich 'second generation' of stars. It is not known why such a supposedly rare event (a late flash followed by mixing) is so common that the blue hook of ω Centauri contains approximately 30 per cent of the horizontal branch stars in the cluster, or why the blue hook luminosity range in this massive cluster cannot be reproduced by models. Here we report that the presence of helium core masses up to about 0.04 solar masses larger than the core mass resulting from evolution is required to solve the luminosity range problem. We model this by taking into account the dispersion in rotation rates achieved by the progenitors, whose pre-main-sequence accretion disk suffered an early disruption in the dense environment of the cluster's central regions, where second-generation stars form. Rotation may also account for frequent late-flash-mixing events in massive globular clusters.

Faraday rotation enhancement of gold coated Fe2O3 nanoparticles: comparison of experiment and theory.

PubMed

Dani, Raj Kumar; Wang, Hongwang; Bossmann, Stefan H; Wysin, Gary; Chikan, Viktor

2011-12-14

Understanding plasmonic enhancement of nanoscale magnetic materials is important to evaluate their potential for application. In this study, the Faraday rotation (FR) enhancement of gold coated Fe(2)O(3) nanoparticles (NP) is investigated experimentally and theoretically. The experiment shows that the Faraday rotation of a Fe(2)O(3) NP solution changes from approximately 3 rad/Tm to 10 rad/Tm as 5 nm gold shell is coated on a 9.7 nm Fe(2)O(3) core at 632 nm. The results also show how the volume fraction normalized Faraday rotation varies with the gold shell thickness. From the comparison of experiment and calculated Faraday rotation based on the Maxwell-Garnett theory, it is concluded that the enhancement and shell dependence of Faraday rotation of Fe(2)O(3) NPs is a result of the shifting plasmon resonance of the composite NP. In addition, the clustering of the NPs induces a different phase lag on the Faraday signal, which suggests that the collective response of the magnetic NP aggregates needs to be considered even in solution. From the Faraday phase lag, the estimated time of the full alignment of the magnetic spins of bare (cluster size 160 nm) and gold coated NPs (cluster size 90 nm) are found to be 0.65 and 0.17 μs. The calculation includes a simple theoretical approach based on the Bruggeman theory to account for the aggregation and its effect on the Faraday rotation. The Bruggeman model provides a qualitatively better agreement with the experimentally observed Faraday rotation and points out the importance of making a connection between component properties and the average "effective" optical behavior of the Faraday medium containing magnetic nanoparticles. © 2011 American Institute of Physics

New mechanisms of cluster diffusion on metal fcc(100) surfaces

NASA Astrophysics Data System (ADS)

Trushin, Oleg; Salo, Petri; Alatalo, Matti; Ala-Nissila, Tapio

2001-03-01

We have studied atomic mechanisms of the diffusion of small clusters on the fcc(100) metal surfaces using semi-empirical and ab-initio molecular static calculations. Primary goal of these studies was to investigate possible many-body mechanisms of cluster motion which can contribute to low temperature crystal growth. We used embedded atom and Glue potentials in semi-empirical simulations of Cu and Al. Combination of the Nudged Elastic Band and Eigenvector Following methods allowed us to find all the possible transition paths for cluster movements on flat terrace. In case of Cu(001) we have found several new mechanisms for diffusion of clusters, including mechanisms called row-shearing and dimer-rotating in which a whole row inside an island moves according to a concerted jump and a dimer rotates at the periphery of an island, respectively. In some cases these mechanisms yield a lower energy barrier than the standard mechanisms.

Photometrically-derived properties of massive-star clusters obtained with different massive-star evolution tracks and deterministic models

NASA Astrophysics Data System (ADS)

Wofford, Aida; Charlot, Stéphane; Eldridge, John

2015-08-01

We compute libraries of stellar + nebular spectra of populations of coeval stars with ages of <100 Myr and metallicities of Z=0.001 to 0.040, using different sets of massive-star evolution tracks, i.e., new Padova tracks for single non-rotating stars, the Geneva tracks for single non-rotating and rotating stars, and the Auckland tracks for single non-rotating and binary stars. For the stellar component, we use population synthesis codes galaxev, starburst99, and BPASS, depending on the set of tracks. For the nebular component we use photoionization code cloudy. From these spectra, we obtain magnitudes in filters F275W, F336W, F438W, F547M, F555W, F657N, and F814W of the Hubble Space Telescope (HST) Wide Field Camera Three. We use i) our computed magnitudes, ii) new multi-band photometry of massive-star clusters in nearby (<11 Mpc) galaxies spanning the metallicity range 12+log(O/H)=7.2-9.2, observed as part of HST programs 13364 (PI Calzetti) and 13773 (PI Chandar), and iii) Bayesian inference to a) establish how well the different models are able to constrain the metallicities, extinctions, ages, and masses of the star clusters, b) quantify differences in the cluster properties obtained with the different models, and c) assess how properties of lower-mass clusters are affected by the stochastic sampling of the IMF. In our models, the stellar evolution tracks, stellar atmospheres, and nebulae have similar chemical compositions. Different metallicities are available with different sets of tracks and we compare results from models of similar metallicities. Our results have implications for studies of the formation and evolution of star clusters, the cluster age and mass functions, and the star formation histories of galaxies.

Translational and Rotational Diffusion of Two Differently Charged Solutes in Ethylammonium Nitrate-Methanol Mixture: Does the Nanostructure of the Amphiphiles Influence the Motion of the Solute?

PubMed

Kundu, Niloy; Roy, Arpita; Dutta, Rupam; Sarkar, Nilmoni

2016-06-23

In this Article, we have investigated the translational and rotational diffusion of two structurally similar but differently charged solutes (rhodamine 6G perchlorate and fluorescein sodium salt) in ethylammonium nitrate (EAN)-methanol (CH3OH) mixture to understand the effect of added ionic liquid on the motion of the solutes. EAN and CH3OH both are amphiphilic molecules and characterized by an extended hydrogen bonding network. Recently, Russina et al. found that a wide distribution of clusters exist in the CH3OH rich region (0.10 ≤ χEAN ≤ 0.15) and EAN molecules preserve their bulk-sponge-like morphology (Russina, O.; Sferrazza, A.; Caminiti, R.; Triolo, A. J. Phys. Chem. Lett. 2014, 5, 1738-1742). The effect of this microheterogeneous mixture on the solute's motion shows some interesting results compared to other PIL (protic ionic liquid)-cosolvent mixtures. Analysis of the time-resolved anisotropy data with the aid of Stokes-Einstein-Debye (SED) hydrodynamic theory predicts that the reorientation time of both of the solutes appears close to the stick hydrodynamic line in the methanol rich region. The hydrogen bond accepting solutes experience specific interaction with CH3OH, and with increasing concentration of EAN, the specific interaction between the solute and solvent molecules is decreased while the decrease is more prominent in the low mole fraction of EAN due to the large size of cluster formation. The temperature dependent anisotropy measurements show that the hydrogen bonding interaction between EAN and CH3OH is increased with increasing temperature. Moreover, fluorescence correlation spectroscopy (FCS) shows the dynamic heterogeneity of the mixture which is due to the segregation of the alkyl chain of the PIL. Formation of a large cluster at a low mole fraction of IL (0.10 ≤ χEAN ≤ 0.15) can be proved by the insensitivity of the translational diffusion and rotational activation energy of the solutes to the concentration of EAN. Thus, the result of the work suggests that the addition of EAN to the CH3OH affects the specific interaction between solute and solvent and, as a consequence, the translational motion as well as the rotational motion of the solutes are modulated.

The evolution of angular momentum among zero-age main-sequence solar-type stars

NASA Technical Reports Server (NTRS)

Soderblom, David R.; Stauffer, John R.; Macgregor, Keith B.; Jones, Burton F.

1993-01-01

We consider a survey of rotation among F, G, and K dwarfs of the Pleiades in the context of other young clusters (Alpha Persei and the Hyades) and pre-main-sequence (PMS) stars (in Taurus-Auriga and Orion) in order to examine how the angular momentum of a star like the sun evolves during its early life on the main sequence. The rotation of PMS stars can be evolved into distributions like those seen in the young clusters if there is only modest, rotation-independent angular momentum loss prior to the ZAMS. Even then, the ultrafast rotators (UFRs, or ZAMS G and K dwarfs with v sin i equal to or greater than 30 km/s) must owe their extra angular momentum to their conditions of formation and to different angular momentum loss rates above a threshold velocity, for it is unlikely that these stars had angular momentum added as they neared the ZAMS, nor can a spread in ages within a cluster account for the range of rotation seen. Only a fraction of solar-type stars are thus capable of becoming UFRs, and it is not a phase that all stars experience. Simple scaling relations (like the Skumanich relation) applied to the observed surface rotation rates of young solar-type stars cannot reproduce the way in which the Pleiades evolve into the Hyades. We argue that invoking internal differential rotation in these ZAMS stars can explain several aspects of the observations and thus can provide a consistent picture of ZAMS angular momentum evolution.

LITHIUM DEPLETION IS A STRONG TEST OF CORE-ENVELOPE RECOUPLING

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

Somers, Garrett; Pinsonneault, Marc H., E-mail: somers@astronomy.ohio-state.edu

2016-09-20

Rotational mixing is a prime candidate for explaining the gradual depletion of lithium from the photospheres of cool stars during the main sequence. However, previous mixing calculations have relied primarily on treatments of angular momentum transport in stellar interiors incompatible with solar and stellar data in the sense that they overestimate the internal differential rotation. Instead, recent studies suggest that stars are strongly differentially rotating at young ages but approach a solid body rotation during their lifetimes. We modify our rotating stellar evolution code to include an additional source of angular momentum transport, a necessary ingredient for explaining the openmore » cluster rotation pattern, and examine the consequences for mixing. We confirm that core-envelope recoupling with a ∼20 Myr timescale is required to explain the evolution of the mean rotation pattern along the main sequence, and demonstrate that it also provides a more accurate description of the Li depletion pattern seen in open clusters. Recoupling produces a characteristic pattern of efficient mixing at early ages and little mixing at late ages, thus predicting a flattening of Li depletion at a few Gyr, in agreement with the observed late-time evolution. Using Li abundances we argue that the timescale for core-envelope recoupling during the main sequence decreases sharply with increasing mass. We discuss the implications of this finding for stellar physics, including the viability of gravity waves and magnetic fields as agents of angular momentum transport. We also raise the possibility of intrinsic differences in initial conditions in star clusters using M67 as an example.« less

Alternative to particle dark matter

NASA Astrophysics Data System (ADS)

Khoury, Justin

2015-01-01

We propose an alternative to particle dark matter that borrows ingredients of modified Newtonian dynamics (MOND) while adding new key components. The first new feature is a dark matter fluid, in the form of a scalar field with small equation of state and sound speed. This component is critical in reproducing the success of cold dark matter for the expansion history and the growth of linear perturbations, but does not cluster significantly on nonlinear scales. Instead, the missing mass problem on nonlinear scales is addressed by a modification of the gravitational force law. The force law approximates MOND at large and intermediate accelerations, and therefore reproduces the empirical success of MOND at fitting galactic rotation curves. At ultralow accelerations, the force law reverts to an inverse-square law, albeit with a larger Newton's constant. This latter regime is important in galaxy clusters and is consistent with their observed isothermal profiles, provided the characteristic acceleration scale of MOND is mildly varying with scale or mass, such that it is 12 times higher in clusters than in galaxies. We present an explicit relativistic theory in terms of two scalar fields. The first scalar field is governed by a Dirac-Born-Infeld action and behaves as a dark matter fluid on large scales. The second scalar field also has single-derivative interactions and mediates a fifth force that modifies gravity on nonlinear scales. Both scalars are coupled to matter via an effective metric that depends locally on the fields. The form of this effective metric implies the equality of the two scalar gravitational potentials, which ensures that lensing and dynamical mass estimates agree. Further work is needed in order to make both the acceleration scale of MOND and the fraction at which gravity reverts to an inverse-square law explicitly dynamical quantities, varying with scale or mass.

An elementary singularity-free Rotational Brownian Dynamics algorithm for anisotropic particles

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

Ilie, Ioana M.; Briels, Wim J.; MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede

2015-03-21

Brownian Dynamics is the designated technique to simulate the collective dynamics of colloidal particles suspended in a solution, e.g., the self-assembly of patchy particles. Simulating the rotational dynamics of anisotropic particles by a first-order Langevin equation, however, gives rise to a number of complications, ranging from singularities when using a set of three rotational coordinates to subtle metric and drift corrections. Here, we derive and numerically validate a quaternion-based Rotational Brownian Dynamics algorithm that handles these complications in a simple and elegant way. The extension to hydrodynamic interactions is also discussed.

Lithium in ROSAT-discovered candidate members in the Alpha Persei cluster

NASA Astrophysics Data System (ADS)

Randich, S.; Martin, E. L.; Garcia Lopez, R. J.; Pallavicini, R.

1998-05-01

We present lithium observations of 23 X-ray selected candidate members of alpha Per, which are part of a larger sample of stars identified through two ROSAT surveys of the cluster. Our observations on one hand allowed us to confirm membership for 18 of the candidates, thus suggesting that a high percentage of the whole X-ray selected candidates are probably cluster members. On the other hand, we had the possibility to significantly enlarge the Li database for this cluster. The distribution of Li abundances for stars in our sample (or `new' members) is in good agreement with that for previously known (or `old') members, although `new' members in the 5000 - 4700 T_eff interval stay on the upper envelope of the Li vs. T_eff diagram. The comparison of the merged `new' + `old' sample with the younger IC 2602 and IC 4665 clusters and with the older Pleiades confirms that stars more massive than the Sun do not undergo any PMS Li destruction, whereas some depletion occurs during the early phases on the ZAMS. We re-addressed the issue of the star-to-star scatter and Li-rotation connection for both alpha Per and the Pleiades; as several previous studies have pointed out, fast rotators, as a group, show higher lithium than slow rotators. At the same time, however, fast rotators exhibit a much narrower dispersion than slow rotators. We demonstrate that this dicothomy is unlikely due to projection effects and suggest that the reason for it could reside in the PMS rotational history and, in particular, in the presence (absence) of a circumstellar disk. As to very cool stars (T_eff < 4500 K), we find that alpha Per members do not seem to have higher lithium than the Pleiades. This result, however, must be confirmed with a larger sample of alpha Per stars before any conclusion can be drawn. Based on observations made with the Isaac Newton telescope, operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrof\\'\\i sica de Canarias.

On intracluster Faraday rotation. II - Statistical analysis

NASA Technical Reports Server (NTRS)

Lawler, J. M.; Dennison, B.

1982-01-01

The comparison of a reliable sample of radio source Faraday rotation measurements seen through rich clusters of galaxies, with sources seen through the outer parts of clusters and therefore having little intracluster Faraday rotation, indicates that the distribution of rotation in the former population is broadened, but only at the 80% level of statistical confidence. Employing a physical model for the intracluster medium in which the square root of magnetic field strength/turbulent cell per gas core radius number ratio equals approximately 0.07 microgauss, a Monte Carlo simulation is able to reproduce the observed broadening. An upper-limit analysis figure of less than 0.20 microgauss for the field strength/turbulent cell ratio, combined with lower limits on field strength imposed by limitations on the Compton-scattered flux, shows that intracluster magnetic fields must be tangled on scales greater than about 20 kpc.

Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field

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

Gao, Weimin; Niu, Haitao; Lin, Tong

2014-01-28

The behavior of Liquid N,N-dimethylformamide subjected to a wide range of externally applied electric fields (from 0.001 V/nm to 1 V/nm) has been investigated through molecular dynamics simulation. To approach the objective the AMOEBA polarizable force field was extended to include the interaction of the external electric field with atomic partial charges and the contribution to the atomic polarization. The simulation results were evaluated with quantum mechanical calculations. The results from the present force field for the liquid at normal conditions were compared with the experimental and molecular dynamics results with non-polarizable and other polarizable force fields. The uniform externalmore » electric fields of higher than 0.01 V/nm have a significant effect on the structure of the liquid, which exhibits a variation in numerous properties, including molecular polarization, local cluster structure, rotation, alignment, energetics, and bulk thermodynamic and structural properties.« less

Using DOUBLE STAR and CLUSTER Synoptic Observations to Test Global MHD Simulations of the Large-scale Topology of the Dayside Merging Region

NASA Astrophysics Data System (ADS)

Berchem, J.; Marchaudon, A.; Bosqued, J.; Escoubet, C. P.; Dunlop, M.; Owen, C. J.; Reme, H.; Balogh, A.; Carr, C.; Fazakerley, A. N.; Cao, J. B.

2005-12-01

Synoptic measurements from the DOUBLE STAR and CLUSTER spacecraft offer a unique opportunity to evaluate global models in simulating the complex topology and dynamics of the dayside merging region. We compare observations from the DOUBLE STAR TC-1 and CLUSTER spacecraft on May 8, 2004 with the predictions from a three-dimensional magnetohydrodynamic (MHD) simulation that uses plasma and magnetic field parameters measured upstream of the bow shock by the WIND spacecraft. Results from the global simulation are consistent with the large-scale features observed by CLUSTER and TC-1. We discuss topological changes and plasma flows at the dayside magnetospheric boundary inferred from the simulation results. The simulation shows that the DOUBLE STAR spacecraft passed through the dawn side merging region as the IMF rotated. In particular, the simulation indicates that at times TC-1 was very close to the merging region. In addition, we found that the bifurcation of the merging region in the simulation results is consistent with predictions by the antiparallel merging model. However, because of the draping of the magnetosheath field lines over the magnetopause, the positions and shape of the merging region differ significantly from those predicted by the model.

The vibration-rotation-tunneling levels of N2-H2O and N2-D2O.

PubMed

Wang, Xiao-Gang; Carrington, Tucker

2015-07-14

In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

The vibration-rotation-tunneling levels of N2-H2O and N2-D2O

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2015-07-01

In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

Broadband Microwave Spectroscopy as a Tool to Study Intermolecular Interactions in the Diphenyl Ether - Water System

NASA Astrophysics Data System (ADS)

Fatima, Mariyam; Perez, Cristobal; Schnell, Melanie

2017-06-01

Many biological processes, such as chemical recognition and protein folding, are mainly controlled by the interplay of hydrogen bonds and dispersive forces. This interplay also occurs between organic molecules and solvent water molecules. Broadband rotational spectroscopy studies of weakly bound complexes are able to accurately reveal the structures and internal dynamics of molecular clusters isolated in the gas phase. Amongst them, water clusters with organic molecules are of particular interest. In this work, we investigate the interplay between different types of weak intermolecular interactions and how it controls the preferred interaction sites of aromatic ethers, where dispersive interactions may play a significant role. We present our results on diphenyl ether (C_{12}H_{10}O, 1,1'-Oxydibenzene) complexed with up to three molecules of water. Diphenyl ether is a flexible molecule, and it offers two competing binding sites for water: the ether oxygen and the aromatic π system. In order to determine the structure of the diphenyl ether-water complexes, we targeted transitions in the 2-8 GHz range using broadband rotational spectroscopy. We identify two isomers with one water, one with two water, and one with three water molecules. Further analysis from isotopic substitution measurements provided accurate structural information. The preferred interactions, as well as the observed structural changes induced upon complexation, will be presented and discussed.

Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble

NASA Astrophysics Data System (ADS)

Yongye, Austin B.; Bender, Andreas; Martínez-Mayorga, Karina

2010-08-01

Representing the 3D structures of ligands in virtual screenings via multi-conformer ensembles can be computationally intensive, especially for compounds with a large number of rotatable bonds. Thus, reducing the size of multi-conformer databases and the number of query conformers, while simultaneously reproducing the bioactive conformer with good accuracy, is of crucial interest. While clustering and RMSD filtering methods are employed in existing conformer generators, the novelty of this work is the inclusion of a clustering scheme (NMRCLUST) that does not require a user-defined cut-off value. This algorithm simultaneously optimizes the number and the average spread of the clusters. Here we describe and test four inter-dependent approaches for selecting computer-generated conformers, namely: OMEGA, NMRCLUST, RMS filtering and averaged- RMS filtering. The bioactive conformations of 65 selected ligands were extracted from the corresponding protein:ligand complexes from the Protein Data Bank, including eight ligands that adopted dissimilar bound conformations within different receptors. We show that NMRCLUST can be employed to further filter OMEGA-generated conformers while maintaining biological relevance of the ensemble. It was observed that NMRCLUST (containing on average 10 times fewer conformers per compound) performed nearly as well as OMEGA, and both outperformed RMS filtering and averaged- RMS filtering in terms of identifying the bioactive conformations with excellent and good matches (0.5 < RMSD < 1.0 Å). Furthermore, we propose thresholds for OMEGA root-mean square filtering depending on the number of rotors in a compound: 0.8, 1.0 and 1.4 for structures with low (1-4), medium (5-9) and high (10-15) numbers of rotatable bonds, respectively. The protocol employed is general and can be applied to reduce the number of conformers in multi-conformer compound collections and alleviate the complexity of downstream data processing in virtual screening experiments.

Orbital clustering of martian Trojans: An asteroid family in the inner Solar System?

NASA Astrophysics Data System (ADS)

Christou, Apostolos A.

2013-05-01

We report on the discovery of new martian Trojans within the Minor Planet Center list of asteroids. Their orbital evolution over 108 yr shows characteristic signatures of dynamical longevity (Scholl, H., Marzari, F., Tricarico, P. [2005]. Icarus 175, 397-408) while their average orbits resemble that of the largest known martian Trojan, 5261 Eureka. The group forms a cluster within the region where the most stable Trojans should reside. Based on a combinatorial analysis and a comparison with the jovian Trojan population, we argue that both this feature and the apparent paucity of km-sized martian Trojans (Trilling, D.E., Spahr, T.B., Rivkin, A.S., Hergenrother, C.W., Kortenkamp, S.J. [2006]. ID 2006A-0251) as compared to expectations from earlier work (Tabachnik, S., Evans, N.W. [1999]. Astrophys. J. 517, L63-L66) is not due to observational bias but instead a natural end result of the collisional comminution (Jutzi, M., Michel, P., Benz, W., Richardson, D.C. [2010]. Icarus 207, 54-65) or, alternatively, the rotational fission (Pravec, P. et al. [2010]. Nature 466, 1085-1088) of a progenitor L5 Trojan of Mars. Under the collisional scenario in particular, the new martian Trojans are dynamically young, in agreement with our age estimate of this "cluster" of <2 Gyr based on the earlier work of Scholl et al. (Scholl, H., Marzari, F., Tricarico, P. [2005]. Icarus 175, 397-408). This work highlights the Trojan regions of the terrestrial planets as natural laboratories to study processes important for small body evolution in the Solar System and provides the first direct evidence for an orbital cluster of asteroids close to the Earth.

Dynamical Models for Sloshing Dynamics of Helium 2 Under Low-G Conditions

NASA Technical Reports Server (NTRS)

Hung, R. J.; Long, Y. T.

1997-01-01

Coupling of sloshing dynamics within a partially filled rotating dewar of superfluid helium 2 with spacecraft dynamics are investigated in response to the realistic environmental disturbance forces and torques acting on the spacecraft during normal operation. This study investigates: (1) the rotating bubble of superfluid helium 2 reacting to combined environmental disturbances, including gravity gradient, aerodynamic, and magnetic forces and torques; (2) characteristics of slosh reaction forces and torques coupling with spacecraft dynamics; (3) the contribution of slosh dynamics to over-all spacecraft dynamics; and (4) activating of attitude and translation control system. The numerical computation of sloshing dynamics is based on the rotational frame, while the spacecraft dynamics is associated with non-rotational frame. Results show that the contributions of spacecraft dynamics are driven by the environmental disturbances coupling with slosh dynamics. Without considering the effects of environmental disturbances-driven slosh dynamics acting on spacecraft coupling with the spacecraft dynamics may lead to the wrong results for the development of spacecraft system guidance and attitude control techniques.

Rotation of endosomes demonstrates coordination of molecular motors during axonal transport.

PubMed

Kaplan, Luke; Ierokomos, Athena; Chowdary, Praveen; Bryant, Zev; Cui, Bianxiao

2018-03-01

Long-distance axonal transport is critical to the maintenance and function of neurons. Robust transport is ensured by the coordinated activities of multiple molecular motors acting in a team. Conventional live-cell imaging techniques used in axonal transport studies detect this activity by visualizing the translational dynamics of a cargo. However, translational measurements are insensitive to torques induced by motor activities. By using gold nanorods and multichannel polarization microscopy, we simultaneously measure the rotational and translational dynamics for thousands of axonally transported endosomes. We find that the rotational dynamics of an endosome provide complementary information regarding molecular motor activities to the conventionally tracked translational dynamics. Rotational dynamics correlate with translational dynamics, particularly in cases of increased rotation after switches between kinesin- and dynein-mediated transport. Furthermore, unambiguous measurement of nanorod angle shows that endosome-contained nanorods align with the orientation of microtubules, suggesting a direct mechanical linkage between the ligand-receptor complex and the microtubule motors.

The rotational velocity of low-mass stars in the Pleiades cluster

NASA Astrophysics Data System (ADS)

Queloz, D.; Allain, S.; Mermilliod, J.-C.; Bouvier, J.; Mayor, M.

1998-07-01

We present new {vsin i} measurements for 235 low-mass stars in the Pleiades. The differential rotational broadening has been resolved for all the stars in our sample. These results, combined with previously published measurements, provide a complete and unbiased rotation data set for stars in the mass range from 0.6 to 1.2{Msun}. Applying a numerical inversion technique on the {vsin i} distributions, we derive the distributions of equatorial velocities for low-mass Pleiades members. We find that half of the Pleiades dwarfs with a mass between 0.6 to 1 {Msun} have rotation rates lower than 10{ km s(-1) }. Comparison of the rotational distributions of low-mass members between IC 2602/2391 (~ 35 Myr) and the Pleiades (~ 100 Myr) suggests that G dwarfs behave like solid-bodies and follow Skumanich's law during this time span. However, comparison between Pleiades and older clusters -M34 (~ 200 Myr) and Hyades (~ 600 Myr)- indicates that the braking of slow rotators on the early main sequence is weaker than predicted by an asymptotical Skumanich's law. This strongly supports the view that angular momentum tapped in the radiative core of slow rotators on the zero age main sequence (ZAMS) resurfaces into the convective envelope between Pleiades and Hyades age. For the G-dwarfs, we derive a characteristic coupling time scale between the core and the envelope of about 100-200 Myr, which accounts for the observed evolution of surface rotation from the ZAMS to the Hyades. The relationship between rotation and coronal activity in the Pleiades is in agreement with previous observations in other clusters and field stars. We show that the Rossby diagram provides an excellent description of the X-ray activity for all stars in the mass domain studied. The Pleiades data for slow and moderate rotators fills the gap between the X-ray-rotation correlation found for slow rotators and the X-ray ``saturation plateau'' observed for young fast rotators. The transition between increasing X-ray flux with rotation and X-ray saturation is observed at log (P/tau )=0.8+/-0.1. These results strengthen the hypothesis that the ``saturation'' of the angular momentum loss process depends on the stellar mass. Based on observations collected at the Observatoire de Haute-Provence with ELODIE at the 193cm telescope and with CORAVEL at the 1m-swiss telescope

Cargos Rotate at Microtubule Intersections during Intracellular Trafficking.

PubMed

Gao, Yuan; Anthony, Stephen M; Yu, Yanqi; Yi, Yi; Yu, Yan

2018-06-19

Intracellular cargos are transported by molecular motors along actin and microtubules, but how their dynamics depends on the complex structure of the cytoskeletal network remains unclear. In this study, we investigated this longstanding question by measuring simultaneously the rotational and translational dynamics of cargos at microtubule intersections in living cells. We engineered two-faced particles that are fluorescent on one hemisphere and opaque on the other and used their optical anisotropy to report the rotation of cargos. We show that cargos undergo brief episodes of unidirectional and rapid rotation while pausing at microtubule intersections. Probability and amplitude of the cargo rotation depend on the geometry of the intersecting filaments. The cargo rotation is not random motion due to detachment from microtubules, as revealed by statistical analyses of the translational and rotational dynamics. Instead, it is an active rotation driven by motor proteins. Although cargos are known to pause at microtubule intersections, this study reveals a different dimension of dynamics at this seemingly static state and, more importantly, provides direct evidence showing the correlation between cargo rotation and the geometry of underlying microtubule intersections. Copyright © 2018 Biophysical Society. All rights reserved.

Dynamic train-track interaction at high vehicle speeds—Modelling of wheelset dynamics and wheel rotation

NASA Astrophysics Data System (ADS)

Torstensson, P. T.; Nielsen, J. C. O.; Baeza, L.

2011-10-01

Vertical dynamic train-track interaction at high vehicle speeds is investigated in a frequency range from about 20 Hz to 2.5 kHz. The inertial effects due to wheel rotation are accounted for in the vehicle model by implementing a structural dynamics model of a rotating wheelset. Calculated wheel-rail contact forces using the flexible, rotating wheelset model are compared with contact forces based on rigid, non-rotating models. For a validation of the train-track interaction model, calculated contact forces are compared with contact forces measured using an instrumented wheelset. When the system is excited at a frequency where two different wheelset mode shapes, due to the wheel rotation, have coinciding resonance frequencies, significant differences are found in the contact forces calculated with the rotating and non-rotating wheelset models. Further, the use of a flexible, rotating wheelset model is recommended for load cases leading to large magnitude contact force components in the high-frequency range (above 1.5 kHz). In particular, the influence of the radial wheel eigenmodes with two or three nodal diameters is significant.

A dynamical model for the formation of gas rings and episodic starbursts near galactic centres

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.; Kruijssen, J. M. Diederik

2015-10-01

We develop a simple dynamical model for the evolution of gas in the centres of barred spiral galaxies, using the Milky Way's Central Molecular Zone (CMZ, i.e. the central few hundred pc) as a case study. We show that, in the presence of a galactic bar, gas in a disc in the central regions of a galaxy will be driven inwards by angular momentum transport induced by acoustic instabilities within the bar's inner Lindblad resonance. This transport process drives turbulence within the gas that temporarily keeps it strongly gravitationally stable and prevents the onset of rapid star formation. However, at some point the rotation curve must transition from approximately flat to approximately solid body, and the resulting reduction in shear reduces the transport rates and causes gas to build up, eventually producing a gravitationally unstable region that is subject to rapid and violent star formation. For the observed rotation curve of the Milky Way, the accumulation happens ˜100 pc from the centre of the Galaxy, in good agreement with the observed location of gas clouds and young star clusters in the CMZ. The characteristic time-scale for gas accumulation and star formation is of the order of 10-20 Myr. We argue that similar phenomena should be ubiquitous in other barred spiral galaxies.

The growth of discs and bulges during hierarchical galaxy formation - II. Metallicity, stellar populations and dynamical evolution

NASA Astrophysics Data System (ADS)

Tonini, C.; Mutch, S. J.; Wyithe, J. S. B.; Croton, D. J.

2017-03-01

We investigate the properties of the stellar populations of model galaxies as a function of galaxy evolutionary history and angular momentum content. We use the new semi-analytic model presented in Tonini et al. This new model follows the angular momentum evolution of gas and stars, providing the base for a new star formation recipe, and treatment of the effects of mergers that depends on the central galaxy dynamical structure. We find that the new recipes have the effect of boosting the efficiency of the baryonic cycle in producing and recycling metals, as well as preventing minor mergers from diluting the metallicity of bulges and ellipticals. The model reproduces the stellar mass-stellar metallicity relation for galaxies above 1010 solar masses, including Brightest Cluster Galaxies. Model discs, galaxies dominated by instability-driven components, and merger-driven objects each stem from different evolutionary channels. These model galaxies therefore occupy different loci in the galaxy mass-size relation, which we find to be in accord with the ATLAS 3D classification of disc galaxies, fast rotators and slow rotators. We find that the stellar populations' properties depend on the galaxy evolutionary type, with more evolved stellar populations being part of systems that have lost or dissipated more angular momentum during their assembly history.

Influence of sticking vs non-sticking limits of moment of inertia and higher order deformations in the decay of 214,216Rn* compound systems

NASA Astrophysics Data System (ADS)

Mittal, Rajni; Jain, Deepika; Sharma, Manoj K.

2017-12-01

The dynamical cluster decay model (DCM) is employed to explore the relative effect of sticking (IS) and non-sticking (INS) limits of moment of inertia (MOI) in the decay of hot and rotating 214,216Rn* compound nuclei, formed in 16,18O + 198Pt reactions. Beside this, the nuclear deformation effects i.e. quadrupole β2 (static and dynamic) and higher order static deformations up to hexadecapole (β4) are duly incorporated and studied within DCM. The influence of both 'INS/IS' addressing rotational energy component and 'deformations' is gauged through the barrier characteristics, preformation factor and barrier lowering effects. The experimentally given ER and ff data is addressed by optimizing the neck-length ΔR, that strongly depends on the limiting angular momentum, which in turn depends on the sticking or non-sticking limits of interaction. In addition to this, the influence of increase in energy and neutron number is probed in reference to ER survival probability of Rn compound nucleus. Finally, the ff cross-sections of 214,216Rn* nuclei are predicted within sticking limit of moment of inertia as the same seems to be more suitable for such decay paths.

The electronic structure of vanadium monochloride cation (VCl+): Tackling the complexities of transition metal species

NASA Astrophysics Data System (ADS)

DeYonker, Nathan J.; Halfen, DeWayne T.; Allen, Wesley D.; Ziurys, Lucy M.

2014-11-01

Six electronic states (X 4Σ-, A 4Π, B 4Δ, 2Φ, 2Δ, 2Σ+) of the vanadium monochloride cation (VCl+) are described using large basis set coupled cluster theory. For the two lowest quartet states (X 4Σ- and A 4Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T0) and spectroscopic constants (re, r0, Be, B0, bar De, He, ωe, v0, αe, ωexe) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X 4Σ-), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state (2Γ) has a Te of ˜11 200 cm-1. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

Energy Aware Clustering Algorithms for Wireless Sensor Networks

NASA Astrophysics Data System (ADS)

Rakhshan, Noushin; Rafsanjani, Marjan Kuchaki; Liu, Chenglian

2011-09-01

The sensor nodes deployed in wireless sensor networks (WSNs) are extremely power constrained, so maximizing the lifetime of the entire networks is mainly considered in the design. In wireless sensor networks, hierarchical network structures have the advantage of providing scalable and energy efficient solutions. In this paper, we investigate different clustering algorithms for WSNs and also compare these clustering algorithms based on metrics such as clustering distribution, cluster's load balancing, Cluster Head's (CH) selection strategy, CH's role rotation, node mobility, clusters overlapping, intra-cluster communications, reliability, security and location awareness.

Rotation-invariant image and video description with local binary pattern features.

PubMed

Zhao, Guoying; Ahonen, Timo; Matas, Jiří; Pietikäinen, Matti

2012-04-01

In this paper, we propose a novel approach to compute rotation-invariant features from histograms of local noninvariant patterns. We apply this approach to both static and dynamic local binary pattern (LBP) descriptors. For static-texture description, we present LBP histogram Fourier (LBP-HF) features, and for dynamic-texture recognition, we present two rotation-invariant descriptors computed from the LBPs from three orthogonal planes (LBP-TOP) features in the spatiotemporal domain. LBP-HF is a novel rotation-invariant image descriptor computed from discrete Fourier transforms of LBP histograms. The approach can be also generalized to embed any uniform features into this framework, and combining the supplementary information, e.g., sign and magnitude components of the LBP, together can improve the description ability. Moreover, two variants of rotation-invariant descriptors are proposed to the LBP-TOP, which is an effective descriptor for dynamic-texture recognition, as shown by its recent success in different application problems, but it is not rotation invariant. In the experiments, it is shown that the LBP-HF and its extensions outperform noninvariant and earlier versions of the rotation-invariant LBP in the rotation-invariant texture classification. In experiments on two dynamic-texture databases with rotations or view variations, the proposed video features can effectively deal with rotation variations of dynamic textures (DTs). They also are robust with respect to changes in viewpoint, outperforming recent methods proposed for view-invariant recognition of DTs.

Advance Ratio Effects on the Dynamic-stall Vortex of a Rotating Blade in Steady Forward Flight

DTIC Science & Technology

2014-08-06

dependence on advance ratio is used to relate the stability of the dynamic-stall vortex to Coriolis effects . Advance ratio effects on the dynamic-stall vortex...relate the stability of the dynamic-stall vortex to Coriolis effects . Keywords: Leading-edge vortex, Dynamic stall vortex, Vortex flows, Rotating wing...Reynolds number are not decoupled. 3. Radial flow field In the rotating environment the coupled effect of centripetal and Coriolis accelerations is ex

Energy efficient strategy for throughput improvement in wireless sensor networks.

PubMed

Jabbar, Sohail; Minhas, Abid Ali; Imran, Muhammad; Khalid, Shehzad; Saleem, Kashif

2015-01-23

Network lifetime and throughput are one of the prime concerns while designing routing protocols for wireless sensor networks (WSNs). However, most of the existing schemes are either geared towards prolonging network lifetime or improving throughput. This paper presents an energy efficient routing scheme for throughput improvement in WSN. The proposed scheme exploits multilayer cluster design for energy efficient forwarding node selection, cluster heads rotation and both inter- and intra-cluster routing. To improve throughput, we rotate the role of cluster head among various nodes based on two threshold levels which reduces the number of dropped packets. We conducted simulations in the NS2 simulator to validate the performance of the proposed scheme. Simulation results demonstrate the performance efficiency of the proposed scheme in terms of various metrics compared to similar approaches published in the literature.

Energy Efficient Strategy for Throughput Improvement in Wireless Sensor Networks

PubMed Central

Jabbar, Sohail; Minhas, Abid Ali; Imran, Muhammad; Khalid, Shehzad; Saleem, Kashif

2015-01-01

Network lifetime and throughput are one of the prime concerns while designing routing protocols for wireless sensor networks (WSNs). However, most of the existing schemes are either geared towards prolonging network lifetime or improving throughput. This paper presents an energy efficient routing scheme for throughput improvement in WSN. The proposed scheme exploits multilayer cluster design for energy efficient forwarding node selection, cluster heads rotation and both inter- and intra-cluster routing. To improve throughput, we rotate the role of cluster head among various nodes based on two threshold levels which reduces the number of dropped packets. We conducted simulations in the NS2 simulator to validate the performance of the proposed scheme. Simulation results demonstrate the performance efficiency of the proposed scheme in terms of various metrics compared to similar approaches published in the literature. PMID:25625902

New Representation of Bearings in LS-DYNA

NASA Technical Reports Server (NTRS)

Carney, Kelly S.; Howard, Samuel A.; Miller, Brad A.; Benson, David J.

2014-01-01

Non-linear, dynamic, finite element analysis is used in various engineering disciplines to evaluate high-speed, dynamic impact and vibration events. Some of these applications require connecting rotating to stationary components. For example, bird impacts on rotating aircraft engine fan blades are a common analysis performed using this type of analysis tool. Traditionally, rotating machines utilize some type of bearing to allow rotation in one degree of freedom while offering constraints in the other degrees of freedom. Most times, bearings are modeled simply as linear springs with rotation. This is a simplification that is not necessarily accurate under the conditions of high-velocity, high-energy, dynamic events such as impact problems. For this reason, it is desirable to utilize a more realistic non-linear force-deflection characteristic of real bearings to model the interaction between rotating and non-rotating components during dynamic events. The present work describes a rolling element bearing model developed for use in non-linear, dynamic finite element analysis. This rolling element bearing model has been implemented in LS-DYNA as a new element, *ELEMENT_BEARING.

Weakened magnetic braking as the origin of anomalously rapid rotation in old field stars.

PubMed

van Saders, Jennifer L; Ceillier, Tugdual; Metcalfe, Travis S; Aguirre, Victor Silva; Pinsonneault, Marc H; García, Rafael A; Mathur, Savita; Davies, Guy R

2016-01-14

A knowledge of stellar ages is crucial for our understanding of many astrophysical phenomena, and yet ages can be difficult to determine. As they become older, stars lose mass and angular momentum, resulting in an observed slowdown in surface rotation. The technique of 'gyrochronology' uses the rotation period of a star to calculate its age. However, stars of known age must be used for calibration, and, until recently, the approach was untested for old stars (older than 1 gigayear, Gyr). Rotation periods are now known for stars in an open cluster of intermediate age (NGC 6819; 2.5 Gyr old), and for old field stars whose ages have been determined with asteroseismology. The data for the cluster agree with previous period-age relations, but these relations fail to describe the asteroseismic sample. Here we report stellar evolutionary modelling, and confirm the presence of unexpectedly rapid rotation in stars that are more evolved than the Sun. We demonstrate that models that incorporate dramatically weakened magnetic braking for old stars can--unlike existing models--reproduce both the asteroseismic and the cluster data. Our findings might suggest a fundamental change in the nature of ageing stellar dynamos, with the Sun being close to the critical transition to much weaker magnetized winds. This weakened braking limits the diagnostic power of gyrochronology for those stars that are more than halfway through their main-sequence lifetimes.

Rotations and Abundances of Blue Horizontal-Branch Stars in Globular Cluster M15.

PubMed

Behr; Cohen; McCarthy

2000-03-01

High-resolution optical spectra of 18 blue horizontal-branch stars in the globular cluster M15 indicate that their stellar rotation rates and photospheric compositions vary strongly as a function of effective temperature. Among the cooler stars in the sample, at Teff approximately 8500 K, metal abundances are in rough agreement with the canonical cluster metallicity, and the vsini rotations appear to have a bimodal distribution, with eight stars at vsini<15 km s-1 and two stars at vsini approximately 35 km s-1. Most of the stars at Teff>/=10,000 K, however, are slowly rotating, vsini<7 km s-1, and their iron and titanium are enhanced by a factor of 300 to solar abundance levels. Magnesium maintains a nearly constant abundance over the entire range of Teff, and helium is depleted by factors of 10-30 in three of the hotter stars. Diffusion effects in the stellar atmospheres are the most likely explanation for these large differences in composition. Our results are qualitatively very similar to those previously reported for M13 and NGC 6752, but with even larger enhancement amplitudes, presumably due to the increased efficiency of radiative levitation at lower intrinsic [Fe/H]. We also see evidence for faster stellar rotation explicitly preventing the onset of the diffusion mechanisms among a subset of the hotter stars.

Behavior of a Light Solid in a Rotating Horizontal Cylinder with Liquid Under Vibration

NASA Astrophysics Data System (ADS)

Karpunin, I. E.; Kozlova, A. N.; Kozlov, N. V.

2018-06-01

Dynamics of a cylindrical body in a rotating cavity is experimentally studied under transversal translational vibrations of the cavity rotation axis. Experiments are run at high rotation rate, when under the action of centrifugal force the body shifts to the rotation axis (the centrifuged state). In the absence of vibrations, the lagging rotation of the body is observed, due to the body radial shift from the axis of rotation caused by gravity. The body average rotation regime depends on the cavity rotation rate. The vibrations lead to the excitation of different regimes of body differential rotation (leading or lagging) associated with the excitation of its inertial oscillations. The dependence of the differential speed of the body rotation on the vibration frequency is investigated. The body dynamics has a complex character depending on the dimensionless vibration frequency. The analysis of body oscillation trajectory revealed that the body oscillatory motion consists of several modes, which contribute to the averaged dynamics of the body and the flows in the cavity.

Role of tumbling in bacterial swarming

NASA Astrophysics Data System (ADS)

Sidortsov, Marina; Morgenstern, Yakov; Be'er, Avraham

2017-08-01

Typical wild-type bacteria swimming in sparse suspensions exhibit a movement pattern called "run and tumble," characterized by straight trajectories (runs) interspersed by shorter, random reorientation (tumbles). This is achieved by rotating their flagella counterclockwise, or clockwise, respectively. The chemotaxis signaling network operates in controlling the frequency of tumbles, enabling navigation toward or away from desired regions in the medium. In contrast, while in dense populations, flagellated bacteria exhibit collective motion and form large dynamic clusters, whirls, and jets, with intricate dynamics that is fundamentally different than trajectories of sparsely swimming cells. Although collectively swarming cells do change direction at the level of the individual cell, often exhibiting reversals, it has been suggested that chemotaxis does not play a role in multicellular colony expansion, but the change in direction stems from clockwise flagellar rotation. In this paper, the effects of cell rotor switching (i.e., the ability to tumble) and chemotaxis on the collective statistics of swarming bacteria are studied experimentally in wild-type Bacillus subtilis and two mutants—one that does not tumble and one that tumbles independently of the chemotaxis system. We show that while several of the parameters examined are similar between the strains, other collective and individual characteristics are significantly different. The results demonstrate that tumbling and/or flagellar directional rotor switching has an important role on the dynamics of swarming, and imply that swarming models of self-propelled rods that do not take tumbling and/or rotor switching into account may be oversimplified.

The seven sisters DANCe. II. Proper motions and the lithium rotation-activity connection for G and K Pleiades

NASA Astrophysics Data System (ADS)

Barrado, D.; Bouy, H.; Bouvier, J.; Moraux, E.; Sarro, L. M.; Bertin, E.; Cuillandre, J.-C.; Stauffer, J. R.; Lillo-Box, J.; Pollock, A.

2016-12-01

Context. Stellar clusters open the window to understanding stellar evolution and, in particular, the change with time and the dependence on mass of different stellar properties. As such, stellar clusters act as laboratories where different theories can be tested. Aims: We try to understand the origin of the connection between lithium depletion in F, G, and K stars, rotation and activity in the Pleiades open cluster. Methods: We have collected all the relevant data in the literature, including information regarding rotation period, binarity, and activity, and cross-matched this data with proper motions, multiwavelength photometry, and membership probability from the DANCe database. To avoid biases, we only included single members of the Pleiades with probabilities larger than 75% in the discussion. Results: The analysis confirms that there is a strong link between activity, rotation, and the lithium equivalent width excess, especially for the range Lum(bol) = 0.5-0.2L⊙ (about K2-K7 spectral types or 0.75-0.95 M⊙). Conclusions: It is not possible to disentangle these effects, but we cannot exclude that the observed lithium overabundance is partially an observational effect from enhanced activity owing to a large coverage by stellar spots induced by high rotation rates. Since a bona fide lithium enhancement is present in young, fast rotators, both activity and rotation should play a role in the lithium problem. Tables 1-3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/596/A113

Are the gyro-ages of field stars underestimated?

NASA Astrophysics Data System (ADS)

Kovács, Géza

2015-09-01

By using the current photometric rotational data on eight galactic open clusters, we show that the evolutionary stellar model (isochrone) ages of these clusters are tightly correlated with the period shifts applied to the (B - V)0-Prot ridges that optimally align these ridges to the one defined by Praesepe and the Hyades. On the other hand, when the traditional Skumanich-type multiplicative transformation is used, the ridges become far less aligned due to the age-dependent slope change introduced by the period multiplication. Therefore, we employ our simple additive gyro-age calibration on various datasets of Galactic field stars to test its applicability. We show that, in the overall sense, the gyro-ages are systematically greater than the isochrone ages. The difference could exceed several giga years, depending on the stellar parameters. Although the age overlap between the open clusters used in the calibration and the field star samples is only partial, the systematic difference indicates the limitation of the currently available gyro-age methods and suggests that the rotation of field stars slows down with a considerably lower speed than we would expect from the simple extrapolation of the stellar rotation rates in open clusters.

Can hip and knee kinematics be improved by eliminating thigh markers?

PubMed Central

Schulz, Brian W.; Kimmel, Wendy L.

2017-01-01

Background Marker sets developed for gait analysis are often applied to more dynamic tasks with little or no validation, despite known complications of soft tissue artifact. Methods This study presents a comparison of hip and knee kinematics as calculated by five concurrently-worn tracking marker sets during eight different tasks. The first three marker sets were based on Helen Hayes but used 1) proximal thigh wands, 2) distal thigh wands, and 3) patellar markers instead of thigh wands. The remaining two marker sets used rigid clusters on the 4) thighs and shanks and 5) only shanks. Pelvis and foot segments were shared by all marker sets. The first three tasks were maximal femoral rotations using different knee and hip positions to quantify the ability of each marker set to capture this motion. The remaining five tasks were walking, walking a 1m radius circle, running, jumping, and lunging. Findings In general, few and small differences in knee and hip flexion-extension were observed between marker sets, while many and large differences in adduction-abduction and external-internal rotations were observed. The shank-only tracking marker set was capable of detecting the greatest hip external-internal rotation, yet only did so during dynamic tasks where greater hip axial motions would be expected. All data are available as supplementary material. Interpretation Marker set selection is critical to non-sagittal hip and knee motions. The shank-only tracking marker set presented here is a viable alternative that may improve knee and hip kinematics by eliminating errors from thigh soft tissue artifact. PMID:20493599

Fluid Dynamics Appearing during Simulated Microgravity Using Random Positioning Machines

PubMed Central

Stern, Philip; Casartelli, Ernesto; Egli, Marcel

2017-01-01

Random Positioning Machines (RPMs) are widely used as tools to simulate microgravity on ground. They consist of two gimbal mounted frames, which constantly rotate biological samples around two perpendicular axes and thus distribute the Earth’s gravity vector in all directions over time. In recent years, the RPM is increasingly becoming appreciated as a laboratory instrument also in non-space-related research. For instance, it can be applied for the formation of scaffold-free spheroid cell clusters. The kinematic rotation of the RPM, however, does not only distribute the gravity vector in such a way that it averages to zero, but it also introduces local forces to the cell culture. These forces can be described by rigid body analysis. Although RPMs are commonly used in laboratories, the fluid motion in the cell culture flasks on the RPM and the possible effects of such on cells have not been examined until today; thus, such aspects have been widely neglected. In this study, we used a numerical approach to describe the fluid dynamic characteristic occurring inside a cell culture flask turning on an operating RPM. The simulations showed that the fluid motion within the cell culture flask never reached a steady state or neared a steady state condition. The fluid velocity depends on the rotational velocity of the RPM and is in the order of a few centimeters per second. The highest shear stresses are found along the flask walls; depending of the rotational velocity, they can reach up to a few 100 mPa. The shear stresses in the “bulk volume,” however, are always smaller, and their magnitude is in the order of 10 mPa. In conclusion, RPMs are highly appreciated as reliable tools in microgravity research. They have even started to become useful instruments in new research fields of mechanobiology. Depending on the experiment, the fluid dynamic on the RPM cannot be neglected and needs to be taken into consideration. The results presented in this study elucidate the fluid motion and provide insight into the convection and shear stresses that occur inside a cell culture flask during RPM experiments. PMID:28135286

Rotational dynamics of cargos at pauses during axonal transport.

PubMed

Gu, Yan; Sun, Wei; Wang, Gufeng; Jeftinija, Ksenija; Jeftinija, Srdija; Fang, Ning

2012-01-01

Direct visualization of axonal transport in live neurons is essential for our understanding of the neuronal functions and the working mechanisms of microtubule-based motor proteins. Here we use the high-speed single particle orientation and rotational tracking technique to directly visualize the rotational dynamics of cargos in both active directional transport and pausing stages of axonal transport, with a temporal resolution of 2 ms. Both long and short pauses are imaged, and the correlations between the pause duration, the rotational behaviour of the cargo at the pause, and the moving direction after the pause are established. Furthermore, the rotational dynamics leading to switching tracks are visualized in detail. These first-time observations of cargo's rotational dynamics provide new insights on how kinesin and dynein motors take the cargo through the alternating stages of active directional transport and pause.

Stellar models simulating the disk-locking mechanism and the evolutionary history of the Orion Nebula cluster and NGC 2264

NASA Astrophysics Data System (ADS)

Landin, N. R.; Mendes, L. T. S.; Vaz, L. P. R.; Alencar, S. H. P.

2016-02-01

Context. Rotational evolution in young stars is described by pre-main sequence evolutionary tracks including non-gray boundary conditions, rotation, conservation of angular momentum, and simulations of disk-locking. Aims: By assuming that disk-locking is the regulation mechanism for the stellar angular velocity during the early stages of pre-main sequence evolution, we use our rotating models and observational data to constrain disk lifetimes (Tdisk) of a representative sample of low-mass stars in two young clusters, the Orion Nebula cluster (ONC) and NGC 2264, and to better understand their rotational evolution. Methods: The period distributions of the ONC and NGC 2264 are known to be bimodal and to depend on the stellar mass. To follow the rotational evolution of these two clusters' stars, we generated sets of evolutionary tracks from a fully convective configuration with low central temperatures (before D- and Li-burning). We assumed that the evolution of fast rotators can be represented by models considering conservation of angular momentum during all stages and of moderate rotators by models considering conservation of angular velocity during the first stages of evolution. With these models we estimate a mass and an age for all stars. Results: The resulting mass distribution for the bulk of the cluster population is in the ranges of 0.2-0.4 M⊙ and 0.1-0.6 M⊙ for the ONC and NGC 2264, respectively. For the ONC, we assume that the secondary peak in the period distribution is due to high-mass objects still locked in their disks, with a locking period (Plock) of ~8 days. For NGC 2264 we make two hypotheses: (1) the stars in the secondary peak are still locked with Plock = 5 days, and (2) NGC 2264 is in a later stage in the rotational evolution. Hypothesis 2 implies in a disk-locking scenario with Plock = 8 days, a disk lifetime of 1 Myr and, after that, constant angular momentum evolution. We then simulated the period distribution of NGC 2264 when the mean age of the cluster was 1 Myr. Dichotomy and bimodality appear in the simulated distribution, presenting one peak at 2 days and another one at 5-7 days, indicating that the assumption of Plock = 8 days is plausible. Our hypotheses are compared with observational disk diagnoses available in the literature for the ONC and NGC 2264, such as near-infrared excess, Hα emission, and spectral energy distribution slope in the mid-infrared. Conclusions: Disk-locking models with Plock = 8 days and 0.2 Myr ≤ Tdisk ≤ 3 Myr are consistent with observed periods of moderate rotators of the ONC. For NGC 2264, the more promising explanation for the observed period distribution is an evolution with disk-locking (with Plock near 8 days) during the first 1 Myr, approximately, but after this, the evolution continued with constant angular momentum. Full Table 1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/586/A96

The crack effect on instability in a machine tool spindle with gas bearings

NASA Astrophysics Data System (ADS)

Huang, Bo-Wun

2005-09-01

Gas-bearing spindles are required for increased spindle speed in precise machining. Due to manufacturing flaws or cyclic loading, cracks frequently appear in a rotating spindle systems. Cracks markedly affect the dynamic characteristics of rotating machinery. Hence, in this study, high-speed spindles with gas bearings and the crack effect on the instability dynamics are considered. Most investigations on dynamic characteristics of the spindle system were confined to ball-bearing-type spindles. This work examines the dynamic instability in a cracked rotating spindle system with gas bearings. A round Euler-Bernoulli beam is used to approximate the spindle. The Hamilton principle is applied to derive the equation of motion for the spindle system. The effects of crack depth, rotation speed and provided air pressure on the dynamic instability of a rotating spindle system are studied

Gas-phase lifetimes of nucleobase analogues by picosecond pumpionization and streak techniques.

PubMed

Blaser, Susan; Frey, Hans-Martin; Heid, Cornelia G; Leutwyler, Samuel

2014-01-01

The picosecond (ps) timescale is relevant for the investigation of many molecular dynamical processes such as fluorescence, nonradiative relaxation, intramolecular vibrational relaxation, molecular rotation and intermolecular energy transfer, to name a few. While investigations of ultrafast (femtosecond) processes of biological molecules, e.g. nucleobases and their analogues in the gas phase are available, there are few investigations on the ps time scale. We have constructed a ps pump-ionization setup and a ps streak camera fluorescence apparatus for the determination of lifetimes of supersonic jet-cooled and isolated molecules and clusters. The ps pump-ionization setup was used to determine the lifetimes of the nucleobase analogue 2-aminopurine (2AP) and of two 2AP˙(H2O)n water cluster isomers with n=1 and 2. Their lifetimes lie between 150 ps and 3 ns and are strongly cluster-size dependent. The ps streak camera setup was used to determine accurate fluorescence lifetimes of the uracil analogue 2-pyridone (2PY), its self-dimer (2PY)2, two isomers of its trimer (2PY)3 and its tetramer (2PY)4, which lie in the 7-12 ns range.

Laterally bendable belt conveyor

DOEpatents

Peterson, William J.

1985-01-01

An endless, laterally flexible and bendable belt conveyor particularly adapted for coal mining applications in facilitating the transport of the extracted coal up- or downslope and around corners in a continuous manner is disclosed. The conveying means includes a flat rubber belt reinforced along the middle portion thereof along which the major portion of the belt tension is directed so as to cause rotation of the tubular shaped belt when trammed around lateral turns thus preventing excessive belt bulging distortion between adjacent belt supports which would inhibit belt transport. Pretension induced into the fabric reinforced flat rubber belt by conventional belt take-up means supports the load conveyed when the belt conveyor is making lateral turns. The carrying and return portions of the belt are supported and formed into a tubular shape by a plurality of shapers positioned along its length. Each shaper is supported from above by a monorail and includes clusters of idler rollers which support the belt. Additional cluster rollers in each shaper permit the belt supporting roller clusters to rotate in response to the belt's operating tension imposed upon the cluster rollers by induced lateral belt friction forces. The freely rotating roller clusters thus permit the belt to twist on lateral curves without damage to itself while precluding escape of the conveyed material by effectively enclosing it in the tube-shaped, inner belt transport length.

Merging Galaxy Clusters: A Case Study of ZwCl 2341.1+0000 and the Development of a New Forward Modeled Lensing Technique

NASA Astrophysics Data System (ADS)

Benson, Bryant Joseph

Context: Galaxy clusters are the most massive gravitationally bound structures in the universe and are formed through the process of hierarchical clustering, in which smaller systems undergo a series of mergers to form ever larger clusters. Because of the masses involved, mergers between these giants provide a unique laboratory for observing many interesting astrophysical processes. These merging systems also act as large dark matter colliders, because the dark matter halos of the clusters involved pass through each other during of the merger. This offers us a means to observe if dark matter-dark matter collisions result in momentum exchange beyond what occurs from gravity alone. Such observations can help us to unravel some of the mysteries behind dark matter, such as does it interact with itself through mechanisms beyond gravity, and how strong are those interactions. Answers to questions like these are what will eventually allow us to discover what dark matter really is. However, the extremely long time scales for these mergers (˜several billion years) make each observation a single snapshot in the long merger history, and we must infer many of the details necessary for understanding the full merger process. Furthermore, current weak lensing analyses lack the precision required to detect a signal from self-interacting dark matter. Uncertain weak lensing mass and position estimates also yield large uncertainties in the dynamical reconstruction of the merger scenarios. Need: In order to better model the dynamics of merging galaxy cluster systems, and to potentially measure any signal from self-interacting dark matter, we need to obtain more precise measurements on the masses and positions of the dark matter halos involved. Gravitational lensing offers a robust method for mapping the mass in these clusters because it directly measures the gravitational field, and does not depend on the dynamical state of the system that has been disturbed in the merger process. Of the lensing methods, weak gravitational lensing is the only way that we can probe a wide field and measure the total mass of the cluster. However, the precision of conventional weak lensing techniques is currently limited by shape noise (uncertainty in the shear due to the dispersion in the intrinsic shapes and orientations of unlensed galaxies). A possible avenue forward is to eliminate shape noise as a source of uncertainty in shear measurements via a technique to be described below. This would eliminate the largest source of uncertainty in weak lensing analyses, and enable us to obtain mass and position estimates of dark matter halos with a much higher level of precision. Task: In this dissertation we perform statistical clustering, conventional weak lensing analyses, and dynamical reconstruction on the merging galaxy cluster system ZwCl 2341.1+0000 in order to test the capabilities of the dynamical modeling on a complex, multiple merger. We use targeted optical spectroscopy to identify cluster member galaxies, which we then use to model the galaxy substructures. We also obtain a dynamical mass estimate using the galaxy velocity dispersions, and perform weak lensing analyses in the forms of aperture densitometry to place an upper bound on the total cluster mass, and multiple NFW profile halo fitting to approximate the masses and positions of the individual dark matter halos present in the merger. The masses, positions, and line of sight velocities of those clusters are then used to constrain the parameters describing the best fit merger scenario, with radio relic positions and polarization used to further tighten those constraints. We also develop a new method for obtaining weak lensing data from individual source galaxies in the form of shear measurements that are independent of shape noise, and direct measurements of the convergence. We accomplish this by simultaneously modeling the pre-lensing velocity and intensity profiles of a lensed, rotating disk galaxy, and the lensing transform required to distort those into the lensed profiles we observe. We test this method with a host of idealized simulations to characterize its capabilities in a best-case scenario and forecast the possible improvements it can bring to the precision of weak lensing analyses on galaxy clusters. (Abstract shortened by ProQuest.).

Self-accommodation of B19' martensite in Ti-Ni shape memory alloys. Part III. Analysis of habit plane variant clusters by the geometrically nonlinear theory

NASA Astrophysics Data System (ADS)

Inamura, T.; Nishiura, T.; Kawano, H.; Hosoda, H.; Nishida, M.

2012-06-01

Competition between the invariant plane (IP) condition at the habit plane, the twin orientation relation (OR) and the kinematic compatibility (KC) at the junction plane (JP) of self-accommodated B19‧ martensite in Ti-Ni was investigated via the geometrically nonlinear theory to understand the habit plane variant (HPV) clusters presented in Parts I and II of this work. As the IP condition cannot be satisfied simultaneously with KC, an additional rotation Q is necessary to form compatible JPs for all HPV pairs. The rotation J necessary to form the exact twin OR between the major correspondence variants (CVs) in each HPV was also examined. The observed HPV cluster was not the cluster with the smallest Q but the one satisfying Q = J with a { ? 1}B19‧ type I twin at JP. Both Q and J are crucial to understanding the various HPV clusters in realistic transformations. Finally, a scheme for the ideal HPV cluster composed of six HPVs is also proposed.

A diagnostic for determining the quality of single-reference electron correlation methods

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Taylor, Peter R.

1989-01-01

It was recently proposed that the Euclidian norm of the t sub 1 vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appropriate. This diagnostic, T sub 1, is defined for use with self consistent field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T sub 1 is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of nondynamical electron correlation and is far superior to C sub 0 from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T sub 1 (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

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

NASA Astrophysics Data System (ADS)

Soleilhac, Antonin; Bertorelle, Franck; Antoine, Rodolphe

2018-03-01

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

Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations.

PubMed

Linke, Max; Köfinger, Jürgen; Hummer, Gerhard

2018-05-31

We present a method to calculate the fully anisotropic rotational diffusion tensor from molecular dynamics simulations. Our approach is based on fitting the time-dependent covariance matrix of the quaternions that describe the rigid-body rotational dynamics. Explicit analytical expressions have been derived for the covariances by Favro, which are valid irrespective of the degree of anisotropy. We use these expressions to determine an optimal rotational diffusion tensor from trajectory data. The molecular structures are aligned against a reference by optimal rigid-body superposition. The quaternion covariances can then be obtained directly from the rotation matrices used in the alignment. The rotational diffusion tensor is determined by a fit to the time-dependent quaternion covariances, or directly by Laplace transformation and matrix diagonalization. To quantify uncertainties in the fit, we derive analytical expressions and compare them with the results of Brownian dynamics simulations of anisotropic rotational diffusion. We apply the method to microsecond long trajectories of the Dickerson-Drew B-DNA dodecamer and of horse heart myoglobin. The anisotropic rotational diffusion tensors calculated from simulations agree well with predictions from hydrodynamics.

Ethylene glycol revisited: Molecular dynamics simulations and visualization of the liquid and its hydrogen-bond network☆

PubMed Central

Kaiser, Alexander; Ismailova, Oksana; Koskela, Antti; Huber, Stefan E.; Ritter, Marcel; Cosenza, Biagio; Benger, Werner; Nazmutdinov, Renat; Probst, Michael

2014-01-01

Molecular dynamics simulations of liquid ethylene glycol described by the OPLS-AA force field were performed to gain insight into its hydrogen-bond structure. We use the population correlation function as a statistical measure for the hydrogen-bond lifetime. In an attempt to understand the complicated hydrogen-bonding, we developed new molecular visualization tools within the Vish Visualization shell and used it to visualize the life of each individual hydrogen-bond. With this tool hydrogen-bond formation and breaking as well as clustering and chain formation in hydrogen-bonded liquids can be observed directly. Liquid ethylene glycol at room temperature does not show significant clustering or chain building. The hydrogen-bonds break often due to the rotational and vibrational motions of the molecules leading to an H-bond half-life time of approximately 1.5 ps. However, most of the H-bonds are reformed again so that after 50 ps only 40% of these H-bonds are irreversibly broken due to diffusional motion. This hydrogen-bond half-life time due to diffusional motion is 80.3 ps. The work was preceded by a careful check of various OPLS-based force fields used in the literature. It was found that they lead to quite different angular and H-bond distributions. PMID:24748697

Dynamic Imbalance Would Counter Offcenter Thrust

NASA Technical Reports Server (NTRS)

Mccanna, Jason

1994-01-01

Dynamic imbalance generated by offcenter thrust on rotating body eliminated by shifting some of mass of body to generate opposing dynamic imbalance. Technique proposed originally for spacecraft including massive crew module connected via long, lightweight intermediate structure to massive engine module, such that artificial gravitation in crew module generated by rotating spacecraft around axis parallel to thrust generated by engine. Also applicable to dynamic balancing of rotating terrestrial equipment to which offcenter forces applied.

Rotation of endosomes demonstrates coordination of molecular motors during axonal transport

PubMed Central

Kaplan, Luke; Ierokomos, Athena; Chowdary, Praveen; Bryant, Zev; Cui, Bianxiao

2018-01-01

Long-distance axonal transport is critical to the maintenance and function of neurons. Robust transport is ensured by the coordinated activities of multiple molecular motors acting in a team. Conventional live-cell imaging techniques used in axonal transport studies detect this activity by visualizing the translational dynamics of a cargo. However, translational measurements are insensitive to torques induced by motor activities. By using gold nanorods and multichannel polarization microscopy, we simultaneously measure the rotational and translational dynamics for thousands of axonally transported endosomes. We find that the rotational dynamics of an endosome provide complementary information regarding molecular motor activities to the conventionally tracked translational dynamics. Rotational dynamics correlate with translational dynamics, particularly in cases of increased rotation after switches between kinesin- and dynein-mediated transport. Furthermore, unambiguous measurement of nanorod angle shows that endosome-contained nanorods align with the orientation of microtubules, suggesting a direct mechanical linkage between the ligand-receptor complex and the microtubule motors. PMID:29536037

A radial velocity survey of the open cluster IC 4665

NASA Technical Reports Server (NTRS)

Prosser, Charles F.; Giampapa, Mark S.

1994-01-01

A radial velocity survey of the open cluster IC 4665 is reported for a group of candidate members previously identified on the basis of proper motion and photometry. Of those candidates observed, 20 out of 42 have radial velocities consistent with membership; these cluster members populate the F5-K0 dwarf region and represent the first relatively conclusive membership determinations for such solar-type stars in IC 4665. Three new spectroscopic binary members of the cluster have been identified. Rotational velocities have also been derived; the v sin i distribution among IC 4665 members reveals that most apparent G dwarf members of IC 4665 are seen to exhibit substantial rotation (v sin i greater than 10 km/s). When compared to evolutionary isochrones, the current list of intermediate-mass members appears to support earlier suggestions that IC 4665 has an age comparable to the Pleiades.

Binaries, cluster dynamics and population studies of stars and stellar phenomena

NASA Astrophysics Data System (ADS)

Vanbeveren, Dany

2005-10-01

The effects of binaries on population studies of stars and stellar phenomena have been investigated over the past 3 decades by many research groups. Here we will focus mainly on the work that has been done recently in Brussels and we will consider the following topics: the effect of binaries on overall galactic chemical evolutionary models and on the rates of different types of supernova, the population of point-like X-ray sources where we distinguish the standard high mass X-ray binaries and the ULXs, a UFO-scenario for the formation of WR+OB binaries in dense star systems. Finally we critically discuss the possible effect of rotation on population studies.

CFD Based Computations of Flexible Helicopter Blades for Stability Analysis

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.

2011-01-01

As a collaborative effort among government aerospace research laboratories an advanced version of a widely used computational fluid dynamics code, OVERFLOW, was recently released. This latest version includes additions to model flexible rotating multiple blades. In this paper, the OVERFLOW code is applied to improve the accuracy of airload computations from the linear lifting line theory that uses displacements from beam model. Data transfers required at every revolution are managed through a Unix based script that runs jobs on large super-cluster computers. Results are demonstrated for the 4-bladed UH-60A helicopter. Deviations of computed data from flight data are evaluated. Fourier analysis post-processing that is suitable for aeroelastic stability computations are performed.

Observational properties of pulsars.

PubMed

Manchester, R N

2004-04-23

Pulsars are remarkable clocklike celestial sources that are believed to be rotating neutron stars formed in supernova explosions. They are valuable tools for investigations into topics such as neutron star interiors, globular cluster dynamics, the structure of the interstellar medium, and gravitational physics. Searches at radio and x-ray wavelengths over the past 5 years have resulted in a large increase in the number of known pulsars and the discovery of new populations of pulsars, posing challenges to theories of binary and stellar evolution. Recent images at radio, optical, and x-ray wavelengths have revealed structures resulting from the interaction of pulsar winds with the surrounding interstellar medium, giving new insights into the physics of pulsars.

The rotation of very low mass objects

NASA Astrophysics Data System (ADS)

Scholz, Alexander

2004-10-01

This dissertation contains an investigation of the rotation of very low mass objects, i.e. Brown Dwarfs and stars with masses <0.4 MS. Today, it is well-established that there are large populations of such VLM objects in open clusters and in the field, but our knowledge about their physical properties and evolution is still very limited. Contrary to their solar-mass siblings, VLM objects are fully convective throughout their evolution. Thus, they are not able to form a large-scale magnetic field like for example the sun. The magnetic field, in turn, is crucial for the regulation of rotation: Magnetic interaction between star and circumstellar disk ("disk-locking") and angular momentum losses through stellar winds have dominant influence on the rotational evolution. Thus, we can expect major differences in the rotational behaviour of VLM objects and solar-mass stars. The best method to investigate stellar rotation is to measure rotation periods. If a star exhibits surface features which are asymmetrically distributed, its brightness may be modulated with the rotation period. Thus, this dissertation is based on the analysis of photometric time series. Open clusters are an ideal environment for such a project, since they enable one to follow many objects at the same time. Additionally, they allow one to investigate the age and mass dependence of rotation, because distance and age of the clusters are known in good approximation. For this thesis, five open clusters were observed, which span an age range from 3 to 750 Myr. In three of them (SigmaOri, EpsilonOri, IC4665), VLM objects were identified by means of colour magnitude diagrams. The candidate lists for these three regions comprise at least 100 objects, for which photometry in at least three wavelength bands is available. About a fifth to a third of these candidates could be contaminating field stars in the fore- or background of the clusters. For the remaining two clusters (Pleiades and Praesepe), objects from the literature were selected as targets for the variability study. Masses for all these candidates were estimated by comparing the photometry with stellar evolutionary tracks. For each of the clusters, at least one photometric monitoring campaign was carried out; three of them were observed twice. Subsequently, the magnitudes of the VLM objects were measured relative to non-variable stars in the same fields. The difference image analysis procedure was used to improve the precision for two time series. That way, a photometric precision between 5 and 20 mmag was reached for the brightest stars. A comparison of several period search techniques showed that periodogram analysis delivers by far the best results for the available time series data. Beside the Scargle and CLEAN periodogram, the period search includes several independent and robust control procedures, to assure the reliability of the results. Additionally, a test to identify even non-periodic variability was implemented. For 87 candidates, a photometric rotation period was determined, 80 of these objects have masses <0.4 MS. Thus, this work increases the number of known VLM rotation periods in the age range between 3 and 750 Myr by a factor of 14. Altogether, about 30-50% of the candidates are variable. In the two youngest clusters, several objects show variability with very high amplitudes between 0.2 and 1.1 mag. Their lightcurves contain in the most cases a periodic component, but additionally irregular brightness variations. For two VLM stars, a flare event was detected. The origin of the periodic variability is surface features co-rotating with the objects. In most cases, these surface features are cool magnetically induced spots. From the lightcurves, it can be concluded that the spot properties change on timescales of at most two or three weeks. The amplitudes of the lightcurves are in the VLM regime by a factor of 2.4 smaller than for solar-mass stars, indicating a change of the spot properties with mass. The best explanation for this phenomenon is a more symmetric spot distribution on VLM objects. Additionally, it is probable that the contrast between spots and photospheric environment is smaller than for more massive stars. The lightcurves of the highly variable objects in the youngest clusters cannot be understood only with cool spots. This kind of variability resembles very much the photometric behaviour of classical T Tauri stars, i.e. stars which accrete matter from a circumstellar disk. Thus, it is likely that the highly variable VLM objects possess accretion disks as well. This interpretation is confirmed by near-infrared photometry and optical spectroscopy. For VLM objects in the SigmaOri cluster, a disk frequency of 6-14% was estimated. From this value and the age of SigmaOri it follows that VLM objects loose their disk on shorter timescales than solar-mass stars, which could be an indication for a formation through ejection from a multiple system. This result, however, needs confirmation, since the derived disk frequency should only be considered as a lower limit. The majority of the periodic variable objects rotate with periods <2 d. Slow rotators, with periods longer than 2d, are rare, in contrast to solar-mass stars. For M<0.3 MS, a tendency of faster rotation with decreasing object mass is observed. The origin of this tendency lies very probably in the earliest phases of the rotational evolution. The lower limit of the periods is, within the statistical uncertainties, nearly independent of age and ranges from three to six hours. On the other hand, the upper period limit clearly evolves with time. Between ages of 3 and 100 Myr, it declines from at least ten days to about two days. Afterwards, it increases again up to at least four days. To investigate this behaviour in more detail, simple models were constructed which simulate the basic mechanisms of angular momentum regulation. It turns out that the basic aspects of the rotational evolution can be understood if one takes into account the contraction of the objects and exponential rotational braking through stellar winds. On the contrary, for solar-mass stars the angular momentum losses through stellar winds can be described with the Skumanich law, which predicts a period increase proportional to the squareroot of time. This Skumanich law is not applicable in the VLM regime. Moreover, in the considered age range, the influence of "disk-locking" is negligible. Many of these results can be understood by taking into account the fact that VLM objects are fully convective and cannot possess a large-scale magnetic field. This basic physical property could be responsible for the fast rotation, the breakdown of the Skumanich law, the exponential braking of the rotation, and a more symmetric spot distribution. Thus, main results of this thesis can be ascribed to the internal structure of VLM objects.

Rotating toroids in G10.62-0.38, G19.61-0.23, and G29.96-0.02

NASA Astrophysics Data System (ADS)

Beltrán, M. T.; Cesaroni, R.; Neri, R.; Codella, C.

2011-01-01

Context. In recent years, we have detected clear evidence of rotation in more than 5 hot molecular cores (HMCs). Their identification is confirmed by the fact that the rotation axes are parallel to the axes of the associated bipolar outflows. We have now pursued our investigation by extending the sample to 3 known massive cores, G10.62-0.38, G19.61-0.23, and G29.96-0.02. Aims: We wish to make a thorough study of the structure and kinematics of HMCs and corresponding molecular outflows to reveal possible velocity gradients indicative of the rotation of the cores. Methods: We carried out PdBI observations at 2.7 and 1.4 mm of gas and dust with angular resolutions of ~2”-3” and ~1”-2”, respectively. To trace both rotation and expansion, we simultaneously observed CH3CN, a typical HMC tracer, and 13CO, a typical outflow tracer. Results: The CH3CN (12-11) observations reveal clear velocity gradients in the three HMCs oriented perpendicular to the direction of the bipolar outflows. For G19 and G29 the molecular outflows have been mapped in 13CO. The gradients are interpreted as rotating toroids. The rotation temperatures, used to derive the mass of the cores, have been obtained by means of the rotational diagram method, and lie in the range of 87-244 K. The diameters and masses of the toroids lie in the range of 4550-12600 AU and 28-415 M_⊙, respectively. Given that the dynamical masses are 2 to 30 times lower than those of the cores (if the inclination of the toroids with respect to the plane of the sky is not much below 45°), we suggest that the toroids could be accreting onto the embedded cluster. For G19 and G29, the collapse is also suggested by the redshifted absorption seen in the 13CO (2-1) line. We infer that infall onto the embedded (proto)stars must proceed with rates of ~10-2 M_⊙ yr-1 and on timescales of ~4 × 103-104 yr. The infall rates derived for G19 and G29 are two orders of magnitude greater than the accretion rates indirectly estimated from the mass loss rate of the corresponding outflows. This suggests that the material in the toroids is not infalling onto a single massive star, which is responsible for the corresponding molecular outflow, but onto a cluster of stars. Based on observations carried out with the IRAM Plateau de Bure Interferometer. IRAM is supported by INSU/CNRS (France), MPG (Germany) and IGN (Spain).

MCC level C formulation requirements. Shuttle TAEM guidance and flight control, STS-1 baseline

NASA Technical Reports Server (NTRS)

Carman, G. L.; Montez, M. N.

1980-01-01

The TAEM guidance and body rotational dynamics models required for the MCC simulation of the TAEM mission phase are defined. This simulation begins at the end of the entry phase and terminates at TAEM autoland interface. The logic presented is the required configuration for the first shuttle orbital flight (STS-1). The TAEM guidance is simulated in detail. The rotational dynamics simulation is a simplified model that assumes that the commanded rotational rates can be achieved in the integration interval. Thus, the rotational dynamics simulation is essentially a simulation of the autopilot commanded rates and integration of these rates to determine orbiter attitude. The rotational dynamics simulation also includes a simulation of the speedbrake deflection. The body flap and elevon deflections are computed in the orbiter aerodynamic simulation.

Dynamics of elastic nonlinear rotating composite beams with embedded actuators

NASA Astrophysics Data System (ADS)

Ghorashi, Mehrdaad

2009-08-01

A comprehensive study of the nonlinear dynamics of composite beams is presented. The study consists of static and dynamic solutions with and without active elements. The static solution provides the initial conditions for the dynamic analysis. The dynamic problems considered include the analyses of clamped (hingeless) and articulated (hinged) accelerating rotating beams. Numerical solutions for the steady state and transient responses have been obtained. It is shown that the transient solution of the nonlinear formulation of accelerating rotating beam converges to the steady state solution obtained by the shooting method. The effect of perturbing the steady state solution has also been calculated and the results are shown to be compatible with those of the accelerating beam analysis. Next, the coupled flap-lag rigid body dynamics of a rotating articulated beam with hinge offset and subjected to aerodynamic forces is formulated. The solution to this rigid-body problem is then used, together with the finite difference method, in order to produce the nonlinear elasto-dynamic solution of an accelerating articulated beam. Next, the static and dynamic responses of nonlinear composite beams with embedded Anisotropic Piezo-composite Actuators (APA) are presented. The effect of activating actuators at various directions on the steady state force and moments generated in a rotating composite beam has been presented. With similar results for the transient response, this analysis can be used in controlling the response of adaptive rotating beams.

Exploring the Internal Dynamics of Globular Clusters

NASA Astrophysics Data System (ADS)

Watkins, Laura L.; van der Marel, Roeland; Bellini, Andrea; Luetzgendorf, Nora; HSTPROMO Collaboration

2018-01-01

Exploring the Internal Dynamics of Globular ClustersThe formation histories and structural properties of globular clusters are imprinted on their internal dynamics. Energy equipartition results in velocity differences for stars of different mass, and leads to mass segregation, which results in different spatial distributions for stars of different mass. Intermediate-mass black holes significantly increase the velocity dispersions at the centres of clusters. By combining accurate measurements of their internal kinematics with state-of-the-art dynamical models, we can characterise both the velocity dispersion and mass profiles of clusters, tease apart the different effects, and understand how clusters may have formed and evolved.Using proper motions from the Hubble Space Telescope Proper Motion (HSTPROMO) Collaboration for a set of 22 Milky Way globular clusters, and our discrete dynamical modelling techniques designed to work with large, high-quality datasets, we are studying a variety of internal cluster properties. We will present the results of theoretical work on simulated clusters that demonstrates the efficacy of our approach, and preliminary results from application to real clusters.

An X-Ray Survey of the Open Cluster NGC 6475 (M7) with ROSAT

NASA Technical Reports Server (NTRS)

Prosser, Charles F.; Stauffer, John R.; Caillault, J.-P.; Balachandran, Suchitra; Stern, Robert A.; Randich, Sofia

1995-01-01

A ROSAT x-ray survey, with complimentary optical photometry, of the open cluster NGC 6475 has enabled the detection of approx. 50 late-F to K0 and approx. 70 K/M dwarf new candidate members, providing the first reliable detection of low-mass stars in this low. galactic latitude, 220 Myr old cluster. The x-ray observations reported here have a typical limiting sensitivity of L(sub x) approx. equal to 10(exp 29) erg/s. The detection frequency of early type cluster members is consistent with the hypothesis that the x-ray emitting early type stars are binary systems with an unseen, low-mass secondary producing the x rays. The ratio between x-ray and bolometric luminosity among NGC 6475 members saturates at a spectral-type/color which is intermediate between that in much younger and in much older clusters, consistent with rotational spindown of solar-type stars upon their arrival on the ZAMS. The upper envelope of x-ray luminosity as a function of spectral type is comparable to that of the Pleiades, with the observed spread in x-ray luminosity among low-mass members being likely due to the presence of binaries and relatively rapid rotators. However, the list of x-ray selected candidate members is likely biased against low-mass, slowly rotating single stars. While some preliminary spectroscopic information is given in an appendix, further spectroscopic observations of the new candidate members will aid in interpreting the coronal activity among solar-type NGC 6475 members and their relation to similar stars in older and younger open clusters.

New clues to the cause of extended main-sequence turnoffs in intermediate-age star clusters in the Magellanic Clouds

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

Correnti, Matteo; Goudfrooij, Paul; Kalirai, Jason S.

2014-10-01

We use the Wide Field Camera 3 on board the Hubble Space Telescope (HST) to obtain deep, high-resolution images of two intermediate-age star clusters in the Large Magellanic Cloud of relatively low mass (≈10{sup 4} M {sub ☉}) and significantly different core radii, namely NGC 2209 and NGC 2249. For comparison purposes, we also reanalyzed archival HST images of NGC 1795 and IC 2146, two other relatively low-mass star clusters. From the comparison of the observed color-magnitude diagrams with Monte Carlo simulations, we find that the main-sequence turnoff (MSTO) regions in NGC 2209 and NGC 2249 are significantly wider thanmore » that derived from simulations of simple stellar populations, while those in NGC 1795 and IC 2146 are not. We determine the evolution of the clusters' masses and escape velocities from an age of 10 Myr to the present age. We find that differences among these clusters can be explained by dynamical evolution arguments if the currently extended clusters (NGC 2209 and IC 2146) experienced stronger levels of initial mass segregation than the currently compact ones (NGC 2249 and NGC 1795). Under this assumption, we find that NGC 2209 and NGC 2249 have estimated escape velocities, V {sub esc} ≳ 15 km s{sup –1} at an age of 10 Myr, large enough to retain material ejected by slow winds of first-generation stars, while the two clusters that do not feature extended MSTOs have V {sub esc} ≲ 12 km s{sup –1} at that age. These results suggest that the extended MSTO phenomenon can be better explained by a range of stellar ages rather than a range of stellar rotation velocities or interacting binaries.« less

Extinction in the Star Cluster SAI 113 and Galactic Structure in Carina

NASA Astrophysics Data System (ADS)

Carraro, Giovanni; Turner, David G.; Majaess, Daniel J.; Baume, Gustavo L.; Gamen, Roberto; Molina Lera, José A.

2017-04-01

Photometric CCD UB VI C photometry obtained for 4860 stars surrounding the embedded southern cluster SAI 113 (Skiff 8) is used to examine the reddening in the field and derive the distance to the cluster and nearby van Genderen 1. Spectroscopic color excesses for bright cluster stars, photometric reddenings for A3 dwarfs, and dereddening of cluster stars imply that the reddening and extinction laws match results derived for other young clusters in Carina: {E}U-B/{E}B-V≃ 0.64 and {R}V≃ 4. SAI 113 displays features that may be linked to a history of dynamical interactions among member stars: possible circumstellar reddening and rapid rotation of late B-type members, ringlike features in star density, and a compact core, with most stars distributed randomly across the field. The group van Genderen 1 resembles a stellar asterism, with potential members distributed randomly across the field. Distances of 3.90 ± 0.19 kpc and 2.49 ± 0.09 kpc are derived for SAI 113 and van Genderen 1, respectively, with variable reddenings {E}B-V ranging from 0.84 to 1.29 and 0.23 to 1.28. The SRC variables CK Car and EV Car may be outlying members of van Genderen 1, thereby of use for calibrating the period-luminosity relation for pulsating M supergiants. More importantly, the anomalous reddening and extinction evident in Carina and nearby regions of the Galactic plane in the fourth quadrant impact the mapping of spiral structure from young open clusters. The distribution of spiral arms in the fourth quadrant may be significantly different from how it is often portrayed.

X-Ray Activity in the Open Cluster IC 4665

NASA Technical Reports Server (NTRS)

Giamapapa, Mark S.; Prosser, Charles F.; Fleming, Thomas A.

1997-01-01

We present the results of a joint ROSAT High Resolution Imager (HRI) and optical investigation of the open cluster IC 4665. The ROSAT data contains detections for 28 stellar sources in the field, including 22 cluster members and candidate members spanning the color range -0.18 less than or equal to (B - V(sub o)) less than or equal to +1.63 (approx. B3 - M3). Upper limits are given for the remaining members (or candidate members) in the HRI field. Keck HIRES spectra have been obtained that yield radial and rotational velocity measures, respectively, for faint, low mass candidate members located within the field of the ROSAT HRI observation. In addition, photometry of possible optical counterparts to previously uncatalogued X-ray sources in the HRI field is presented. The trends in X-ray properties with (B - V) color in IC 4665 are found to be quite similar to that for other, more nearby young clusters such as the Pleiades and alpha Persei. In particular, a maximum in normalized X-ray luminosity of log (L(sub x)/L(sub bol)) approx. equal 3 is observed, beginning in the color range of (B - V)(sub o) = 0.7 - 0.8. This is similar to the corresponding color range among Pleiades members, in agreement with the earlier estimate, that the age of IC 4665 is similar to the age of the Pleiades. The correlation of rotation and X-ray emission levels is consistent with that in other young clusters. Among the high mass stars in IC 4665, five B stars are detected as X-ray sources. Of these, one is a spectroscopic binary while the remaining objects are apparently single staxs. The level of intrinsic X-ray emission observed in the rapidly rotating (v sini greater than 200 km/ s), single B stars is consistent with an origin due to shock heating of the ambient medium by radiatively driven, rotationally enhanced winds. On the basis of these observations and the results for other clusters, we argue that observed levels of X-ray emission in high mass stars of log (L(sub x)/L(sub bol)) greater than -6.0 are likely due to intrinsic emission associated with the B stax itself rather than emission from a late-type secondary. Finally, our results suggest that the initial angular momentum distributions and the subsequent evolution of rotation, L(sub x), and (L(sub x)/L(sub bol)) occur in practically identical fashions in clusters with ages approx. less than 100 Myr.

Optical photometric variable stars towards the Galactic H II region NGC 2282

NASA Astrophysics Data System (ADS)

Dutta, Somnath; Mondal, Soumen; Joshi, Santosh; Jose, Jessy; Das, Ramkrishna; Ghosh, Supriyo

2018-05-01

We report here CCD I-band time series photometry of a young (2-5 Myr) cluster NGC 2282, in order to identify and understand the variability of pre-main-sequence (PMS) stars. The I-band photometry, down to ˜20.5 mag, enables us to probe the variability towards the lower mass end (˜0.1 M⊙) of PMS stars. From the light curves of 1627 stars, we identified 62 new photometric variable candidates. Their association with the region was established from H α emission and infrared (IR) excess. Among 62 variables, 30 young variables exhibit H α emission, near-IR (NIR)/mid-IR (MIR) excess or both and are candidate members of the cluster. Out of 62 variables, 41 are periodic variables, with a rotation rate ranging from 0.2-7 d. The period distribution exhibits a median period at ˜1 d, as in many young clusters (e.g. NGC 2264, ONC, etc.), but it follows a unimodal distribution, unlike others that have bimodality, with slow rotators peaking at ˜6-8 d. To investigate the rotation-disc and variability-disc connection, we derived the NIR excess from Δ(I - K) and the MIR excess from Spitzer [3.6]-[4.5] μm data. No conclusive evidence of slow rotation with the presence of discs around stars and fast rotation for discless stars is obtained from our periodic variables. A clear increasing trend of the variability amplitude with IR excess is found for all variables.

High-resolution sub-Doppler infrared spectroscopy of atmospherically relevant Criegee precursor CH2I radicals: CH2 stretch vibrations and "charge-sloshing" dynamics

NASA Astrophysics Data System (ADS)

Kortyna, A.; Lesko, D. M. B.; Nesbitt, D. J.

2018-05-01

The combination of a pulsed supersonic slit-discharge source and single-mode difference frequency direct absorption infrared spectroscopy permit first high resolution infrared study of the iodomethyl (CH2I) radical, with the CH2I radical species generated in a slit jet Ne/He discharge and cooled to 16 K in the supersonic expansion. Dual laser beam detection and collisional collimation in the slit expansion yield sub-Doppler linewidths (60 MHz), an absolute frequency calibration of 13 MHz, and absorbance sensitivities within a factor of two of the shot-noise limit. Fully rovibrationally resolved direct absorption spectra of the CH2 symmetric stretch mode (ν2) are obtained and fitted to a Watson asymmetric top Hamiltonian with electron spin-rotation coupling, providing precision rotational constants and spin-rotation tensor elements for the vibrationally excited state. Analysis of the asymmetric top rotational constants confirms a vibrationally averaged planar geometry in both the ground- and first-excited vibrational levels. Sub-Doppler resolution permits additional nuclear spin hyperfine structures to be observed, with splittings in excellent agreement with microwave measurements on the ground state. Spectroscopic data on CH2I facilitate systematic comparison with previous studies of halogen-substituted methyl radicals, with the periodic trends strongly correlated with the electronegativity of the halogen atom. Interestingly, we do not observe any asymmetric CH2 stretch transitions, despite S/N ≈ 25:1 on strongest lines in the corresponding symmetric CH2 stretch manifold. This dramatic reversal of the more typical 3:1 antisymmetric/symmetric CH2 stretch intensity ratio signals a vibrational transition moment poorly described by simple "bond-dipole" models. Instead, the data suggest that this anomalous intensity ratio arises from "charge sloshing" dynamics in the highly polar carbon-iodine bond, as supported by ab initio electron differential density plots and indeed consistent with observations in other halomethyl radicals and protonated cluster ions.

Dynamic simulations of the inhomogeneous sedimentation of rigid fibres

NASA Astrophysics Data System (ADS)

Butler, Jason E.; Shaqfeh, Eric S. G.

2002-10-01

We have simulated the dynamics of suspensions of fibres sedimenting in the limit of zero Reynolds number. In these simulations, the dominant inter-particle force arises from hydrodynamic interactions between the rigid, non-Brownian fibres. The simulation algorithm uses slender-body theory to model the linear and rotational velocities of each fibre. To include far-field interactions between the fibres, the line distribution of force on each fibre is approximated by making a Legendre polynomial expansion of the disturbance velocity on the fibre, where only the first two terms of the expansion are retained in the calculation. Thus, the resulting linear force distribution can be specified completely by a centre-of-mass force, a couple, and a stresslet. Short-range interactions between particles are included using a lubrication approximation, and an infinite suspension is simulated by using periodic boundary conditions. Our numerical results confirm that the sedimentation of these non-spherical, orientable particles differs qualitatively from the sedimentation of spherical particles. The simulations demonstrate that an initially homogeneous, settling suspension develops clusters, or streamers, which are particle rich surrounded by clarified fluid. The instability which causes the heterogeneous structure arises solely from hydrodynamic interactions which couple the particle orientation and the sedimentation rate in particle clusters. Depending upon the concentration and aspect ratio, the formation of clusters of particles can enhance the sedimentation rate of the suspension to a value in excess of the maximum settling speed of an isolated particle. The suspension of fibres tends to orient with gravity during the sedimentation process. The average velocities and orientations, as well as their distributions, compare favourably with previous experimental measurements.

Tracking single particle rotation: Probing dynamics in four dimensions

DOE PAGES

Anthony, Stephen Michael; Yu, Yan

2015-04-29

Direct visualization and tracking of small particles at high spatial and temporal resolution provides a powerful approach to probing complex dynamics and interactions in chemical and biological processes. Analysis of the rotational dynamics of particles adds a new dimension of information that is otherwise impossible to obtain with conventional 3-D particle tracking. In this review, we survey recent advances in single-particle rotational tracking, with highlights on the rotational tracking of optically anisotropic Janus particles. Furthermore, strengths and weaknesses of the various particle tracking methods, and their applications are discussed.

Resolved magnetic dynamo action in the simulated intracluster medium

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

A new twist on gyroscopic sensing: body rotations lead to torsion in flapping, flexing insect wings.

PubMed

Eberle, A L; Dickerson, B H; Reinhall, P G; Daniel, T L

2015-03-06

Insects perform fast rotational manoeuvres during flight. While two insect orders use flapping halteres (specialized organs evolved from wings) to detect body dynamics, it is unknown how other insects detect rotational motions. Like halteres, insect wings experience gyroscopic forces when they are flapped and rotated and recent evidence suggests that wings might indeed mediate reflexes to body rotations. But, can gyroscopic forces be detected using only changes in the structural dynamics of a flapping, flexing insect wing? We built computational and robotic models to rotate a flapping wing about an axis orthogonal to flapping. We recorded high-speed video of the model wing, which had a flexural stiffness similar to the wing of the Manduca sexta hawkmoth, while flapping it at the wingbeat frequency of Manduca (25 Hz). We compared the three-dimensional structural dynamics of the wing with and without a 3 Hz, 10° rotation about the yaw axis. Our computational model revealed that body rotation induces a new dynamic mode: torsion. We verified our result by measuring wing tip displacement, shear strain and normal strain of the robotic wing. The strains we observed could stimulate an insect's mechanoreceptors and trigger reflexive responses to body rotations. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

A new twist on gyroscopic sensing: body rotations lead to torsion in flapping, flexing insect wings

PubMed Central

Eberle, A. L.; Dickerson, B. H.; Reinhall, P. G.; Daniel, T. L.

2015-01-01

Insects perform fast rotational manoeuvres during flight. While two insect orders use flapping halteres (specialized organs evolved from wings) to detect body dynamics, it is unknown how other insects detect rotational motions. Like halteres, insect wings experience gyroscopic forces when they are flapped and rotated and recent evidence suggests that wings might indeed mediate reflexes to body rotations. But, can gyroscopic forces be detected using only changes in the structural dynamics of a flapping, flexing insect wing? We built computational and robotic models to rotate a flapping wing about an axis orthogonal to flapping. We recorded high-speed video of the model wing, which had a flexural stiffness similar to the wing of the Manduca sexta hawkmoth, while flapping it at the wingbeat frequency of Manduca (25 Hz). We compared the three-dimensional structural dynamics of the wing with and without a 3 Hz, 10° rotation about the yaw axis. Our computational model revealed that body rotation induces a new dynamic mode: torsion. We verified our result by measuring wing tip displacement, shear strain and normal strain of the robotic wing. The strains we observed could stimulate an insect's mechanoreceptors and trigger reflexive responses to body rotations. PMID:25631565

Kinematic properties and dark matter fraction of Virgo dwarf early-type galaxies

NASA Astrophysics Data System (ADS)

Toloba, E.; Boselli, A.; Peletier, R.; Gorgas, J.

2015-03-01

What happens to dwarf galaxies as they enter the cluster potential well is one of the main unknowns in studies of galaxy evolution. Several evidence suggests that late-type galaxies enter the cluster and are transformed to dwarf early-type galaxies (dEs). We study the Virgo cluster to understand which mechanisms are involved in this transformation. We find that the dEs in the outer parts of Virgo have rotation curves with shapes and amplitudes similar to late-type galaxies of the same luminosity (Fig. 1). These dEs are rotationally supported, have disky isophotes, and younger ages than those dEs in the center of Virgo, which are pressure supported, often have boxy isophotes and are older (Fig. 1). Ram pressure stripping, thus, explains the properties of the dEs located in the outskirts of Virgo. However, the dEs in the central cluster regions, which have lost their angular momentum, must have suffered a more violent transformation. A combination of ram pressure stripping and harassment is not enough to remove the rotation and the spiral/disky structures of these galaxies. We find that on the the Faber-Jackson and the Fundamental Plane relations dEs deviate from the trends of massive elliptical galaxies towards the position of dark matter dominated systems such as the dwarf spheroidal satellites of the Milky Way and M31. Both, rotationally and pressure supported dEs, however, populate the same region in these diagrams. This indicates that dEs have a non-negligible dark matter fraction within their half light radius.

Implications for the Origin of Early-type Dwarf Galaxies: A Detailed Look at the Isolated Rotating Early-type Dwarf Galaxy LEDA 2108986 (CG 611), Ramifications for the Fundamental Plane’s {S}_{K}^{2} Kinematic Scaling, and the Spin-Ellipticity Diagram

NASA Astrophysics Data System (ADS)

Graham, Alister W.; Janz, Joachim; Penny, Samantha J.; Chilingarian, Igor V.; Ciambur, Bogdan C.; Forbes, Duncan A.; Davies, Roger L.

2017-05-01

Selected from a sample of nine, isolated, dwarf early-type galaxies (ETGs) with the same range of kinematic properties as dwarf ETGs in clusters, we use LEDA 2108986 (CG 611) to address the nature versus nurture debate regarding the formation of dwarf ETGs. The presence of faint disk structures and rotation within some cluster dwarf ETGs has often been heralded as evidence that they were once late-type spiral or dwarf irregular galaxies prior to experiencing a cluster-induced transformation into an ETG. However, CG 611 also contains significant stellar rotation (≈20 km s-1) over its inner half-light radius ({R}{{e},{maj}}=0.71 kpc), and its stellar structure and kinematics resemble those of cluster ETGs. In addition to hosting a faint young nuclear spiral within a possible intermediate-scale stellar disk, CG 611 has accreted an intermediate-scale, counter-rotating gas disk. It is therefore apparent that dwarf ETGs can be built by accretion events, as opposed to disk-stripping scenarios. We go on to discuss how both dwarf and ordinary ETGs with intermediate-scale disks, whether under (de)construction or not, are not fully represented by the kinematic scaling {S}0.5=\\sqrt{0.5 {V}{rot}2+{σ }2}, and we also introduce a modified spin-ellipticity diagram λ (R)-ɛ (R) with the potential to track galaxies with such disks.

Gemini/GMOS Spectroscopy of Globular Clusters in the Merger Remnant Galaxy M85

NASA Astrophysics Data System (ADS)

Ko, Youkyung; Lee, Myung Gyoon; Park, Hong Soo; Sohn, Jubee; Lim, Sungsoon; Hwang, Narae

2018-06-01

M85 is a peculiar S0 galaxy in Virgo and a well-known merger remnant. We present the first spectroscopic study of globular clusters (GCs) in M85. We obtain spectra for 21 GC candidates and the nucleus of M85 using the Gemini Multi-Object Spectrograph on the Gemini North 8.1 m telescope. From their radial velocities, 20 of the GCs are found to be members of M85. We find a strong rotation signal of the M85 GC system with a rotation amplitude of 235 km s‑1. The rotation axis of the GC system has a position angle of about 161°, which is 51.°5 larger than that of the stellar light. The rotation-corrected radial velocity dispersion of the GC system is estimated to be {σ }{{r},{cor}}=160 km s‑1. The rotation parameter {{Ω }}{R}icor}/{σ }{{r},{cor}} of the GC system is derived to be {1.47}-0.48+1.05, which is one of the largest among known early-type galaxies. The ages and metallicities of the GCs, which show the same trend as the results based on Lick indices, are derived from full spectrum fitting (ULySS). About half of the GCs are an intermediate-age population whose mean age is ∼3.7 ± 1.9 Gyr, having a mean [Fe/H] value of ‑0.26. The other half are old and metal-poor. These results suggest that M85 experienced a wet merging event about 4 Gyr ago, forming a significant population of star clusters. The strong rotational feature of the GC system can be explained by an off-center major merging.

Low torque hydrodynamic lip geometry for bi-directional rotation seals

DOEpatents

Dietle, Lannie L [Houston, TX; Schroeder, John E [Richmond, TX

2009-07-21

A hydrodynamically lubricating geometry for the generally circular dynamic sealing lip of rotary seals that are employed to partition a lubricant from an environment. The dynamic sealing lip is provided for establishing compressed sealing engagement with a relatively rotatable surface, and for wedging a film of lubricating fluid into the interface between the dynamic sealing lip and the relatively rotatable surface in response to relative rotation that may occur in the clockwise or the counter-clockwise direction. A wave form incorporating an elongated dimple provides the gradual convergence, efficient impingement angle, and gradual interfacial contact pressure rise that are conducive to efficient hydrodynamic wedging. Skewed elevated contact pressure zones produced by compression edge effects provide for controlled lubricant movement within the dynamic sealing interface between the seal and the relatively rotatable surface, producing enhanced lubrication and low running torque.

Low torque hydrodynamic lip geometry for bi-directional rotation seals

DOEpatents

Dietle, Lannie L [Houston, TX; Schroeder, John E [Richmond, TX

2011-11-15

A hydrodynamically lubricating geometry for the generally circular dynamic sealing lip of rotary seals that are employed to partition a lubricant from an environment. The dynamic sealing lip is provided for establishing compressed sealing engagement with a relatively rotatable surface, and for wedging a film of lubricating fluid into the interface between the dynamic sealing lip and the relatively rotatable surface in response to relative rotation that may occur in the clockwise or the counter-clockwise direction. A wave form incorporating an elongated dimple provides the gradual convergence, efficient impingement angle, and gradual interfacial contact pressure rise that are conducive to efficient hydrodynamic wedging. Skewed elevated contact pressure zones produced by compression edge effects provide for controlled lubricant movement within the dynamic sealing interface between the seal and the relatively rotatable surface, producing enhanced lubrication and low running torque.

Report of the panel on earth rotation and reference frames, section 7

NASA Technical Reports Server (NTRS)

Dickey, Jean O.; Dickman, Steven R.; Eubanks, Marshall T.; Feissel, Martine; Herring, Thomas A.; Mueller, Ivan I.; Rosen, Richard D.; Schutz, Robert E.; Wahr, John M.; Wilson, Charles R.

1991-01-01

Objectives and requirements for Earth rotation and reference frame studies in the 1990s are discussed. The objectives are to observe and understand interactions of air and water with the rotational dynamics of the Earth, the effects of the Earth's crust and mantle on the dynamics and excitation of Earth rotation variations over time scales of hours to centuries, and the effects of the Earth's core on the rotational dynamics and the excitation of Earth rotation variations over time scales of a year or longer. Another objective is to establish, refine and maintain terrestrial and celestrial reference frames. Requirements include improvements in observations and analysis, improvements in celestial and terrestrial reference frames and reference frame connections, and improved observations of crustal motion and mass redistribution on the Earth.

Energy dissipation of rigid dipoles in a viscous fluid under the action of a time-periodic field: The influence of thermal bath and dipole interaction

NASA Astrophysics Data System (ADS)

Lyutyy, T. V.; Reva, V. V.

2018-05-01

Ferrofluid heating by an external alternating field is studied based on the rigid dipole model, where the magnetization of each particle in a fluid is supposed to be firmly fixed in the crystal lattice. Equations of motion, employing Newton's second law for rotational motion, the condition of rigid body rotation, and the assumption that the friction torque is proportional to angular velocity are used. This oversimplification permits us to expand the model easily: to take into account the thermal noise and interparticle interaction that allows us to estimate from unified positions the role of thermal activation and dipole interaction in the heating process. Our studies are conducted in three stages. The exact expressions for the average power loss of a single particle are obtained within the dynamical approximation. Then, in the stochastic case, the power loss of a single particle is estimated analytically using the Fokker-Planck equation and numerically using the effective Langevin equation. Finally, the power loss for the particle ensemble is obtained using the molecular dynamics method. Here, the local dipole fields are calculated approximately based on the Barnes-Hut algorithm. The revealed trends in the behavior of both a single particle and the particle ensemble suggest the way of choosing the conditions for obtaining the maximum heating efficiency. The competitiveness character of the interparticle interaction and thermal noise is investigated in detail. Two situations, when the thermal noise rectifies the power loss reduction caused by the interaction, are described. The first of them is related to the complete destruction of dense clusters at high noise intensity. The second one originates from the rare switching of the particles in clusters due to thermal activation, when the noise intensity is relatively weak. In this way, the constructive role of noise appears in the system.

Effect of baffle on slosh reaction forces in rotating liquid helium subjected to a lateral impulse in microgravity

NASA Technical Reports Server (NTRS)

Hung, R. J.; Long, Y. T.

1995-01-01

Sloshing dynamics within a partially filled rotating Dewar of superfluid He II are investigated in response to a lateral impulse. The study investigates several factors, including how the rotating bubble of superfluid He II reacts to the impulse in microgravity, how the amplitudes of slosh reaction forces act on the Dewar with various rotating speeds, how the frequencies of the sloshing modes excited differ in terms of differences in rotating speeds, and how the sloshing dynamics differ with and without a baffle. The numerical computation of sloshing dynamics is based on the noninertial frame spacecraft-bound coordinates. Results of the simulations are illustrated.

A Dynamic Pathway for Stone-Wales Bond Rotation on Carbon Nanotubes through Diamond-Like Bonds

NASA Technical Reports Server (NTRS)

Wei, Chen-Yu; Srivastava, Deepak; Cho, Kyeong-Jae; Menon, Madhu

2003-01-01

A new lower energy barrier with a two-step pathway of Stone-Wales (SW) ,ond rotation on carbon nanotubes (CNTs) is found through molecular dynamics (MD) simulations of CNTs under tension. The first step involves going over to a stable sp3-like metastable configuration with half rotated and partially tilted C-C bond. The second step involves going over to the fully rotated C-C bond with the formation of a SW defect in the nanotube. The energy barrier for this two-step dynamic pathway is significantly lower than the previously known static barrier for in-plane rotation of the C-C bond on a tensile strained (> 4%) CNT.

The Spots and Activity of Stars in the Beehive Cluster Observed by the Kepler Space Telescope (K2)

NASA Astrophysics Data System (ADS)

Savanov, I. S.; Kalinicheva, E. S.; Dmitrienko, E. S.

2018-05-01

The spottedness parameters S (the fraction of the visible surface of the star occupied by spots) characterizing the activity of 674 stars in the Beehive Cluster (age 650 Myr) are estimated, together with variations of this parameter as a function of the rotation period, Rossby number Ro and other characteristics of the stars. The activity of the stars in this cluster is lower than the activity of stars in the younger Pleiades (125 Myr). The average S value for the Beehive Cluster stars is 0.014, while Pleiades stars have the much higher average value 0.052. The activity parameters of 61 solar-type stars in the Beehive Cluster, similar Hyades stars (of about the same age), and stars in the younger Pleiades are compared. The average S value of such objects in the Beehive Cluster is 0.014± 0.008, nearly coincident with the estimate obtained for solar-type Hyades stars. The rotation periods of these objects are 9.1 ± 3.4 day, on average, in agreement with the average rotation period of the Hyades stars (8.6 d ). Stars with periods exceeding 3-4 d are more numerous in the Beehive Cluster than in the Pleiades, and their periods have a larger range, 3-30 d . The characteristic dependence with a kink at Ro (saturation) = 0.13 is not observed in the S-Rossby number diagram for the Beehive and Hyades stars, only a clump of objects with Rossby numbers Ro > 0.7. The spottedness data for the Beehive Cluster and Hyades stars are in good agreement with the S values for dwarfs with ages of 600-700 Myr. This provides evidence for the reliability of the results of gyrochronological calibrations. The data for the Beehive and Pleiades stars are used to analyze variations in the spot-forming activity for a large number of stars of the same age that are members of a single cluster. A joint consideration of the data for two clusters can be used to draw conclusions about the time evolution of the activity of stars of different masses (over a time interval of the order of 500 Myr).

Cluster dynamics transcending chemical dynamics toward nuclear fusion

PubMed Central

Heidenreich, Andreas; Jortner, Joshua; Last, Isidore

2006-01-01

Ultrafast cluster dynamics encompasses femtosecond nuclear dynamics, attosecond electron dynamics, and electron-nuclear dynamics in ultraintense laser fields (peak intensities 1015–1020 W·cm−2). Extreme cluster multielectron ionization produces highly charged cluster ions, e.g., (C4+(D+)4)n and (D+I22+)n at IM = 1018 W·cm−2, that undergo Coulomb explosion (CE) with the production of high-energy (5 keV to 1 MeV) ions, which can trigger nuclear reactions in an assembly of exploding clusters. The laser intensity and the cluster size dependence of the dynamics and energetics of CE of (D2)n, (HT)n, (CD4)n, (DI)n, (CD3I)n, and (CH3I)n clusters were explored by electrostatic models and molecular dynamics simulations, quantifying energetic driving effects, and kinematic run-over effects. The optimization of table-top dd nuclear fusion driven by CE of deuterium containing heteroclusters is realized for light-heavy heteroclusters of the largest size, which allows for the prevalence of cluster vertical ionization at the highest intensity of the laser field. We demonstrate a 7-orders-of-magnitude enhancement of the yield of dd nuclear fusion driven by CE of light-heavy heteroclusters as compared with (D2)n clusters of the same size. Prospective applications for the attainment of table-top nucleosynthesis reactions, e.g., 12C(P,γ)13N driven by CE of (CH3I)n clusters, were explored. PMID:16740666

Cluster dynamics transcending chemical dynamics toward nuclear fusion.

PubMed

Heidenreich, Andreas; Jortner, Joshua; Last, Isidore

2006-07-11

Ultrafast cluster dynamics encompasses femtosecond nuclear dynamics, attosecond electron dynamics, and electron-nuclear dynamics in ultraintense laser fields (peak intensities 10(15)-10(20) W.cm(-2)). Extreme cluster multielectron ionization produces highly charged cluster ions, e.g., (C(4+)(D(+))(4))(n) and (D(+)I(22+))(n) at I(M) = 10(18) W.cm(-2), that undergo Coulomb explosion (CE) with the production of high-energy (5 keV to 1 MeV) ions, which can trigger nuclear reactions in an assembly of exploding clusters. The laser intensity and the cluster size dependence of the dynamics and energetics of CE of (D(2))(n), (HT)(n), (CD(4))(n), (DI)(n), (CD(3)I)(n), and (CH(3)I)(n) clusters were explored by electrostatic models and molecular dynamics simulations, quantifying energetic driving effects, and kinematic run-over effects. The optimization of table-top dd nuclear fusion driven by CE of deuterium containing heteroclusters is realized for light-heavy heteroclusters of the largest size, which allows for the prevalence of cluster vertical ionization at the highest intensity of the laser field. We demonstrate a 7-orders-of-magnitude enhancement of the yield of dd nuclear fusion driven by CE of light-heavy heteroclusters as compared with (D(2))(n) clusters of the same size. Prospective applications for the attainment of table-top nucleosynthesis reactions, e.g., (12)C(P,gamma)(13)N driven by CE of (CH(3)I)(n) clusters, were explored.

Influence of solute charge and pyrrolidinium ionic liquid alkyl chain length on probe rotational reorientation dynamics.

PubMed

Guo, Jianchang; Mahurin, Shannon M; Baker, Gary A; Hillesheim, Patrick C; Dai, Sheng; Shaw, Robert W

2014-01-30

In recent years, the effect of molecular charge on the rotational dynamics of probe solutes in room-temperature ionic liquids (RTILs) has been a subject of growing interest. For the purpose of extending our understanding of charged solute behavior within RTILs, we have studied the rotational dynamics of three illustrative xanthene fluorescent probes within a series of N-alkylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([Cnmpyr][Tf2N]) RTILs with different n-alkyl chain lengths (n = 3, 4, 6, 8, or 10) using time-resolved fluorescence anisotropy decay. The rotational dynamics of the neutral probe rhodamine B (RhB) dye lies between the stick and slip boundary conditions due to the influence of specific hydrogen bonding interactions. The rotation of the negatively charged sulforhodamine 640 (SR640) is slower than that of its positively charged counterpart rhodamine 6G (R6G). An analysis based upon Stokes-Einstein-Debye hydrodynamics indicates that SR640 adheres to stick boundary conditions due to specific interactions, whereas the faster rotation of R6G is attributed to weaker electrostatic interactions. No significant dependence of the rotational dynamics on the solvent alkyl chain length was observed for any of the three dyes, suggesting that the specific interactions between dyes and RTILs are relatively independent of this solvent parameter.

Solute rotational dynamics at the water liquid/vapor interface.

PubMed

Benjamin, Ilan

2007-11-28

The rotational dynamics of a number of diatomic molecules adsorbed at different locations at the interface between water and its own vapors are studied using classical molecular dynamics computer simulations. Both equilibrium orientational and energy correlations and nonequilibrium orientational and energy relaxation correlations are calculated. By varying the dipole moment of the molecule and its location, and by comparing the results with those in bulk water, the effects of dielectric and mechanical frictions on reorientation dynamics and on rotational energy relaxation can be studied. It is shown that for nonpolar and weekly polar solutes, the equilibrium orientational relaxation is much slower in the bulk than at the interface. As the solute becomes more polar, the rotation slows down and the surface and bulk dynamics become similar. The energy relaxation (both equilibrium and nonequilibrium) has the opposite trend with the solute dipole (larger dipoles relax faster), but here again the bulk and surface results converge as the solute dipole is increased. It is shown that these behaviors correlate with the peak value of the solvent-solute radial distribution function, which demonstrates the importance of the first hydration shell structure in determining the rotational dynamics and dependence of these dynamics on the solute dipole and location.

VizieR Online Data Catalog: Photometric rotation periods of stars in α Per (Prosser+ 1997)

NASA Astrophysics Data System (ADS)

Prosser, C. F.; Grankin, K. N.

2013-07-01

Members of the Alpha Perseus open cluster were monitored and their rotation periods and amplitudes were derived. These are combined with their physical characteristics to estimate rotational velocities. V-band observations of α Per stars were obtained by both C.P. and K.G. Observations by C.P. were obtained with the Whipple Observatory 48-in. telescope on Mt. Hopkins. Observations by K.G. were obtained during photometric conditions at Mt. Maidanak (Tashkent) Observatory, Uzbekistan using a 0.48m telescope. K.G. obtained absolute V (Johnson) photometric magnitudes by observing five standard stars several times each night. All together, rotational period information was obtained for 35 members of the α Per cluster in Aug-Dec 1994 and Oct, Dec 1995. This work was never published in a refereed journal because Charles Prosser was killed in an auto accident in 1998. See http://aas.org/obituaries/charles-franklin-prosser-jr-1963-1998 (1 data file).

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

Fu, H.B.; Hu, Y.J.; Bernstein, E.R.

Small methanol clusters are formed by expanding a mixture of methanol vapor seeded in helium and are detected using vacuum UV (vuv) (118 nm) single-photon ionization/linear time-of-flight mass spectrometer (TOFMS). Protonated cluster ions, (CH{sub 3}OH){sub n-1}H{sup +} (n=2-8), formed through intracluster ion-molecule reactions following ionization, essentially correlate to the neutral clusters, (CH{sub 3}OH){sub n}, in the present study using 118 nm light as the ionization source. Both experimental and Born-Haber calculational results clarify that not enough excess energy is released into protonated cluster ions to initiate further fragmentation in the time scale appropriate for linear TOFMS. Size-specific spectra for (CH{submore » 3}OH){sub n} (n=4 to 8) clusters in the OH stretch fundamental region are recorded by IR+vuv (118 nm) nonresonant ion-dip spectroscopy through the detection chain of IR multiphoton predissociation and subsequent vuv single-photon ionization. The general structures and gross features of these cluster spectra are consistent with previous theoretical calculations. The lowest-energy peak contributed to each cluster spectrum is redshifted with increasing cluster size from n=4 to 8, and limits near {approx}3220 cm{sup -1} in the heptamer and octamer. Moreover, IR+vuv nonresonant ionization detected spectroscopy is employed to study the OH stretch first overtone of the methanol monomer. The rotational temperature of the clusters is estimated to be at least 50 K based on the simulation of the monomer rotational envelope under clustering conditions.« less

Collapse and Fragmentation Models of Tidally Interacting Molecular Cloud Cores. IV. Initial Slow Rotation and Magnetic Field Support

NASA Astrophysics Data System (ADS)

Sigalotti, Leonardo Di G.; Klapp, Jaime

2000-03-01

Fragmentation has long been advocated as the primary mechanism for explaining the observed binary frequency among pre-main-sequence stars and, more recently, for explaining the emerging evidence for binary and multiple protostellar systems. The role of magnetic fields and ambipolar diffusion is essential to understand how dense cloud cores begin dynamic collapse and eventually fragment into protostars. Here we consider new numerical models of the gravitational collapse and fragmentation of slowly rotating molecular cloud cores, including the effects of magnetic support and ambipolar diffusion. The starting point of the evolution is provided by a magnetically stable (subcritical) condensation that results from adding a magnetic field pressure, B2/8π [with the field strength given by the scaling relation B=B0(ρ/ρ0)1/2], to a reference state consisting of a thermally supercritical (α~0.36), slowly rotating (β~0.037), Gaussian cloud core of prolate shape and central density ρ0. The effects of ambipolar diffusion are approximated by allowing the reference field strength B0 to gradually decrease over a timescale of 10 free-fall times. The models also include the effects of tidal interaction due to a gravitational encounter with another protostar, and so they may apply to low-mass star formation within a cluster-forming environment. The results indicate that the magnetic forces delay the onset of dynamic collapse, and hence of fragmentation, by an amount of time that depends on the initial central mass-to-flux ratio. Compared with previous magnetic collapse calculations of rapidly rotating (β=0.12) clouds, lower initial rotation (β~0.037) is seen to result in much shorter delay periods, thus anticipating binary fragmentation. In general, the results show that the models are still susceptible to fragment into binary systems. Intermediate magnetic support (η~0.285) and low tidal forces (τ<~0.201) may lead to final triple or quadruple protostellar systems, while increasing the size of η and τ always results in final binary protostellar cores. The formed binary systems have separations of ~200-350 AU, suggesting that the recently observed peaks around ~90 AU and 215 AU for T Tauri stars may be explained by the collapse and fragmentation of initially slowly rotating magnetic cloud cores with β<~0.04.

Towards Cluster-Assembled Materials of True Monodispersity in Size and Chemical Environment: Synthesis, Dynamics and Activity

DTIC Science & Technology

2016-10-27

AFRL-AFOSR-UK-TR-2016-0037 Towards cluster-assembled materials of true monodispersity in size and chemical environment: Synthesis, Dynamics and...Towards cluster-assembled materials of true monodispersity in size and chemical environment: synthesis, dynamics and activity 5a.  CONTRACT NUMBER 5b...report Towards cluster-assembled materials of true monodispersity in size and chemical environment: Synthesis, Dynamics and Activity Ulrich Heiz

Space station rotational equations of motion

NASA Technical Reports Server (NTRS)

Rheinfurth, M. H.; Carroll, S. N.

1985-01-01

Dynamic equations of motion are developed which describe the rotational motion for a large space structure having rotating appendages. The presence of the appendages produce torque coupling terms which are dependent on the inertia properties of the appendages and the rotational rates for both the space structure and the appendages. These equations were formulated to incorporate into the Space Station Attitude Control and Stabilization Test Bed to accurately describe the influence rotating solar arrays and thermal radiators have on the dynamic behavior of the Space Station.

Understanding the Current Dynamical States of Globular Clusters

NASA Astrophysics Data System (ADS)

Pooley, David

2008-09-01

We appear to be on the verge of a major paradigm shift in our understanding of the current dynamical states of Galactic globular clusters. Fregeau (2008) brought together two recent theoretical breakthroughs as well as an observational breakthrough made possible by Chandra -- that a globular cluster's X-ray source population scales with its dynamical encounter frequency -- to persuasively argue that we have misunderstood the dynamical states of Galactic globular clusters. The observational evidence hinges on Chandra results from clusters which are classified as "core collapsed," of which there are only a handful of observations. I propose a nearly complete census with Chandra of the rest of the "core collapsed" globular clusters.

The use of a versatile o-vanilloyl hydrazone ligand to prepare SMM-like Dy3 molecular cluster pair.

PubMed

Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Zhang, Peng; Tang, Jinkui

2012-09-14

A novel lanthanide molecular cluster pair (MCP), displaying single molecule magnet behaviour, was assembled using the novel o-vanilloyl hydrazone ligand, versatile in terms of denticity, tautomerism and the rotatable C-C bond.

Rotational excitations of N2O in small helium clusters and the role of Bose permutation symmetry

NASA Astrophysics Data System (ADS)

Paesani, F.; Whaley, K. B.

2004-09-01

We present a detailed study of the energetics, structures, and Bose properties of small clusters of 4He containing a single nitrous oxide (N2O) molecule, from N=1 4He up to sizes corresponding to completion of the first solvation shell around N2O (N=16 4He). Ground state properties are calculated using the importance-sampled rigid-body diffusion Monte Carlo method, rotational excited state calculations are made with the projection operator imaginary time spectral evolution method, and Bose permutation exchange and associated superfluid properties are calculated with the finite temperature path integral method. For N⩽5 the helium atoms are seen to form an equatorial ring around the molecular axis, at N=6 helium density starts to occupy the second (local) minimum of the N2O-He interaction at the oxygen side of the molecule, and N=9 is the critical size at which there is onset of helium solvation all along the molecular axis. For N⩾8 six 4He atoms are distributed in a symmetric, quasirigid ring around N2O. Path integral calculations show essentially complete superfluid response to rotation about the molecular axis for N⩾5, and a rise of the perpendicular superfluid response from zero to appreciable values for N⩾8. Rotational excited states are computed for three values of the total angular momentum, J=1-3, and the energy levels fitted to obtain effective spectroscopic constants that show excellent agreement with the experimentally observed N dependence of the effective rotational constant Beff. The non-monotonic behavior of the rotational constant is seen to be due to the onset of long 4He permutation exchanges and associated perpendicular superfluid response of the clusters for N⩾8. We provide a detailed analysis of the role of the helium solvation structure and superfluid properties in determining the effective rotational constants.

Dynamical age differences among coeval star clusters as revealed by blue stragglers.

PubMed

Ferraro, F R; Lanzoni, B; Dalessandro, E; Beccari, G; Pasquato, M; Miocchi, P; Rood, R T; Sigurdsson, S; Sills, A; Vesperini, E; Mapelli, M; Contreras, R; Sanna, N; Mucciarelli, A

2012-12-20

Globular star clusters that formed at the same cosmic time may have evolved rather differently from the dynamical point of view (because that evolution depends on the internal environment) through a variety of processes that tend progressively to segregate stars more massive than the average towards the cluster centre. Therefore clusters with the same chronological age may have reached quite different stages of their dynamical history (that is, they may have different 'dynamical ages'). Blue straggler stars have masses greater than those at the turn-off point on the main sequence and therefore must be the result of either a collision or a mass-transfer event. Because they are among the most massive and luminous objects in old clusters, they can be used as test particles with which to probe dynamical evolution. Here we report that globular clusters can be grouped into a few distinct families on the basis of the radial distribution of blue stragglers. This grouping corresponds well to an effective ranking of the dynamical stage reached by stellar systems, thereby permitting a direct measure of the cluster dynamical age purely from observed properties.

Precision Photometric Monitoring of Young Low-mass Stars and Brown Dwarfs: Shedding Light on Rotation, Pulsation, and the Star-disk Connection

NASA Astrophysics Data System (ADS)

Cody, Ann Marie; Hillenbrand, L. A.

2010-01-01

Young star-forming regions are host to a variety of optically variable sources, from accreting and flaring stars to those whose light is modulated by surface spots. In addition, recent theory has suggested that a new type of variability-- pulsation powered by deuterium burning-- may be at work on hour timescales in young brown dwarfs and very low mass stars. Photometric studies of these diverse phenomena are key in probing the underlying physics governing the evolution of few-Myr-old cluster members. High-cadence time series provide insight into not only the stochastic nature of accretion, but also trends in rotation via monitoring of magnetic surface spots. Nevertheless, a complete characterization of variability down to low amplitudes, and particularly amongst very-low-mass (0.01-0.3 M⊙) objects, remains elusive. The lower limit to rotation periods in young clusters is not well established, and mechanisms regulating angular momentum down through the substellar regime are not well understood. To expand the census of variability to very low mass and short timescales, as well as assess the possibility of deuterium-burning pulsation, we have carried out a dedicated monitoring campaign on confirmed low-mass members in several 2-5 Myr clusters. Using meter-class telescopes, our survey achieves sensitivity to periodic variations with photometric amplitudes down to the millimagnitude level on timescales ranging from a fraction of an hour to several weeks. We present results from the 5 Myr Sigma Orionis cluster, including a new compilation of rotation rates and a strong correspondence between variability type and presence of a disk, as indicated by Spitzer/IRAC excesses. In contrast to previous reports of 1-4-hour variability amongst brown dwarfs, we find a dearth of periods under 10 hours. However, we identify a significant positive correlation between rotation period and mass.

The Nonlinear Evolution of Massive Stellar Core Collapses That ``Fizzle''

NASA Astrophysics Data System (ADS)

Imamura, James N.; Pickett, Brian K.; Durisen, Richard H.

2003-04-01

Core collapse in a massive rotating star may pause before nuclear density is reached, if the core contains total angular momentum J>~1049 g cm2 s-1. In such aborted or ``fizzled'' collapses, temporary equilibrium objects form that, although rapidly rotating, are secularly and dynamically stable because of the high electron fraction per baryon Ye>0.3 and the high entropy per baryon Sb/k~1-2 of the core material at neutrino trapping. These fizzled collapses are called ``fizzlers.'' In the absence of prolonged infall from the surrounding star, the evolution of fizzlers is driven by deleptonization, which causes them to contract and spin up until they either become stable neutron stars or reach the dynamic instability point for barlike modes. The barlike instability case is of current interest because the bars would be sources of gravitational wave (GW) radiation. In this paper, we use linear and nonlinear techniques, including three-dimensional hydrodynamic simulations, to study the behavior of fizzlers that have deleptonized to the point of reaching dynamic bar instability. The simulations show that the GW emission produced by bar-unstable fizzlers has rms strain amplitude r15h=10-23 to 10-22 for an observer on the rotation axis, with wave frequency of roughly 60-600 Hz. Here h is the strain and r15= (r/15 Mpc) is the distance to the fizzler in units of 15 Mpc. If the bars that form by dynamic instability can maintain GW emission at this level for 100 periods or more, they may be detectable by the Laser Interferometer Gravitational-Wave Observatory at the distance of the Virgo Cluster. They would be detectable as burst sources, defined as sources that persist for ~10 cycles or less, if they occurred in the Local Group of galaxies. The long-term behavior of the bars is the crucial issue for the detection of fizzler events. The bars present at the end of our simulations are dynamically stable but will evolve on longer timescales because of a variety of effects, such as shock heating, infall, deleptonization, and cooling, as well as gravitational radiation and Newtonian gravitational coupling to surrounding material. Long-term simulations including these effects will be necessary to determine the ultimate fate and GW production of fizzlers with certainty.

Dynamic in vivo 3D atlantoaxial spine kinematics during upright rotation.

PubMed

Anderst, William; Rynearson, Bryan; West, Tyler; Donaldson, William; Lee, Joon

2017-07-26

Diagnosing dysfunctional atlantoaxial motion is challenging given limitations of current diagnostic imaging techniques. Three-dimensional imaging during upright functional motion may be useful in identifying dynamic instability not apparent on static imaging. Abnormal atlantoaxial motion has been linked to numerous pathologies including whiplash, cervicogenic headaches, C2 fractures, and rheumatoid arthritis. However, normal C1/C2 rotational kinematics under dynamic physiologic loading have not been previously reported owing to imaging difficulties. The objective of this study was to determine dynamic three-dimensional in vivo C1/C2 kinematics during upright axial rotation. Twenty young healthy adults performed full head rotation while seated within a biplane X-ray system while radiographs were collected at 30 images per second. Six degree-of-freedom kinematics were determined for C1 and C2 via a validated volumetric model-based tracking process. The maximum global head rotation (to one side) was 73.6±8.3°, whereas maximum C1 rotation relative to C2 was 36.8±6.7°. The relationship between C1/C2 rotation and head rotation was linear through midrange motion (±20° head rotation from neutral) in a nearly 1:1 ratio. Coupled rotation between C1 and C2 included 4.5±3.1° of flexion and 6.4±8.2° of extension, and 9.8±3.8° of contralateral bending. Translational motion of C1 relative to C2 was 7.8±1.5mm ipsilaterally, 2.2±1.2mm inferiorly, and 3.3±1.0mm posteriorly. We believe this is the first study describing 3D dynamic atlantoaxial kinematics under true physiologic conditions in healthy subjects. C1/C2 rotation accounts for approximately half of total head axial rotation. Additionally, C1 undergoes coupled flexion/extension and contralateral bending, in addition to inferior, lateral and posterior translation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Some fundamentals regarding kinematics and generalized forces for multibody dynamics

NASA Technical Reports Server (NTRS)

Hodges, Dewey H.

1990-01-01

In order to illustrate the various forms in which generalized forces can arise from diverse subsystem analyses in multibody dynamics, intrinsic dynamical equations for the rotational dynamics of a rigid body are derived from Hamilton's principle. Two types of generalized forces are derived: (1) those associated with the virtual rotation vector in some orthogonal basis, and (2) those associated with varying generalized coordinates. As one physical or kinematical result (such as a frequency or a specific direction cosine) cannot rely on this selection, a 'blind' coupling of two models in which generalized forces are calculated in different ways would be wrong. Both types should use the same rotational coordinates and should denote the virtual rotation on a similar basis according to method 1, or in terms of common rotational coordinates and their diversifications as in method 2. Alternatively, the generalized forces and coordinates of one model may be transformed to those of the other.

Passive stiffness of coupled wrist and forearm rotations.

PubMed

Drake, Will B; Charles, Steven K

2014-09-01

Coordinated movement requires that the neuromuscular system account and compensate for movement dynamics. One particularly complex aspect of movement dynamics is the interaction that occurs between degrees of freedom (DOF), which may be caused by inertia, damping, and/or stiffness. During wrist rotations, the two DOF of the wrist (flexion-extension and radial-ulnar deviation, FE and RUD) are coupled through interaction torques arising from passive joint stiffness. One important unanswered question is whether the DOF of the forearm (pronation-supination, PS) is coupled to the two DOF of the wrist. Answering this question, and understanding the dynamics of wrist and forearm rotations in general, requires knowledge of the stiffness encountered during rotations involving all three DOF (PS, FE, and RUD). Here we present the first-ever measurement of the passive stiffness encountered during simultaneous wrist and forearm rotations. Using a wrist and forearm robot, we measured coupled wrist and forearm stiffness in 10 subjects and present it as a 3-by-3 stiffness matrix. This measurement of passive wrist and forearm stiffness will enable future studies investigating the dynamics of wrist and forearm rotations, exposing the dynamics for which the neuromuscular system must plan and compensate during movements involving the wrist and forearm.

Comparing cluster-level dynamic treatment regimens using sequential, multiple assignment, randomized trials: Regression estimation and sample size considerations.

PubMed

NeCamp, Timothy; Kilbourne, Amy; Almirall, Daniel

2017-08-01

Cluster-level dynamic treatment regimens can be used to guide sequential treatment decision-making at the cluster level in order to improve outcomes at the individual or patient-level. In a cluster-level dynamic treatment regimen, the treatment is potentially adapted and re-adapted over time based on changes in the cluster that could be impacted by prior intervention, including aggregate measures of the individuals or patients that compose it. Cluster-randomized sequential multiple assignment randomized trials can be used to answer multiple open questions preventing scientists from developing high-quality cluster-level dynamic treatment regimens. In a cluster-randomized sequential multiple assignment randomized trial, sequential randomizations occur at the cluster level and outcomes are observed at the individual level. This manuscript makes two contributions to the design and analysis of cluster-randomized sequential multiple assignment randomized trials. First, a weighted least squares regression approach is proposed for comparing the mean of a patient-level outcome between the cluster-level dynamic treatment regimens embedded in a sequential multiple assignment randomized trial. The regression approach facilitates the use of baseline covariates which is often critical in the analysis of cluster-level trials. Second, sample size calculators are derived for two common cluster-randomized sequential multiple assignment randomized trial designs for use when the primary aim is a between-dynamic treatment regimen comparison of the mean of a continuous patient-level outcome. The methods are motivated by the Adaptive Implementation of Effective Programs Trial which is, to our knowledge, the first-ever cluster-randomized sequential multiple assignment randomized trial in psychiatry.

Analysis of stationary displacement patterns in rotating machinery subject to local harmonic excitation

NASA Astrophysics Data System (ADS)

Österlind, Tomas; Kari, Leif; Nicolescu, Cornel Mihai

2017-02-01

Rotor vibration and stationary displacement patterns observed in rotating machineries subject to local harmonic excitation are analysed for improved understanding and dynamic characterization. The analysis stresses the importance of coordinate transformation between rotating and stationary frame of reference for accurate results and estimation of dynamic properties. A generic method which can be used for various rotor applications such as machine tool spindle and turbo machinery vibration is presented. The phenomenon shares similarities with stationary waves in rotating disks though focuses on vibration in shafts. The paper further proposes a graphical tool, the displacement map, which can be used for selection of stable rotational speed for rotating machinery. The results are validated through simulation of dynamic response of a milling cutter, which is a typical example of a variable speed rotor operating under different load conditions.

Analysis of plasmaspheric plumes: CLUSTER and IMAGE observations and numerical simulations

NASA Technical Reports Server (NTRS)

Darouzet, Fabien; DeKeyser, Johan; Decreau, Pierrette; Gallagher, Dennis; Pierrard, Viviane; Lemaire, Joseph; Dandouras, Iannis; Matsui, Hiroshi; Dunlop, Malcolm; Andre, Mats

2005-01-01

Plasmaspheric plumes have been routinely observed by CLUSTER and IMAGE. The CLUSTER mission provides high time resolution four-point measurements of the plasmasphere near perigee. Total electron density profiles can be derived from the plasma frequency and/or from the spacecraft potential (note that the electron spectrometer is usually not operating inside the plasmasphere); ion velocity is also measured onboard these satellites (but ion density is not reliable because of instrumental limitations). The EUV imager onboard the IMAGE spacecraft provides global images of the plasmasphere with a spatial resolution of 0.1 RE every 10 minutes; such images acquired near apogee from high above the pole show the geometry of plasmaspheric plumes, their evolution and motion. We present coordinated observations for 3 plume events and compare CLUSTER in-situ data (panel A) with global images of the plasmasphere obtained from IMAGE (panel B), and with numerical simulations for the formation of plumes based on a model that includes the interchange instability mechanism (panel C). In particular, we study the geometry and the orientation of plasmaspheric plumes by using a four-point analysis method, the spatial gradient. We also compare several aspects of their motion as determined by different methods: (i) inner and outer plume boundary velocity calculated from time delays of this boundary observed by the wave experiment WHISPER on the four spacecraft, (ii) ion velocity derived from the ion spectrometer CIS onboard CLUSTER, (iii) drift velocity measured by the electron drift instrument ED1 onboard CLUSTER and (iv) global velocity determined from successive EUV images. These different techniques consistently indicate that plasmaspheric plumes rotate around the Earth, with their foot fully co-rotating, but with their tip rotating slower and moving farther out.

Coarse-Grained Clustering Dynamics of Heterogeneously Coupled Neurons.

PubMed

Moon, Sung Joon; Cook, Katherine A; Rajendran, Karthikeyan; Kevrekidis, Ioannis G; Cisternas, Jaime; Laing, Carlo R

2015-12-01

The formation of oscillating phase clusters in a network of identical Hodgkin-Huxley neurons is studied, along with their dynamic behavior. The neurons are synaptically coupled in an all-to-all manner, yet the synaptic coupling characteristic time is heterogeneous across the connections. In a network of N neurons where this heterogeneity is characterized by a prescribed random variable, the oscillatory single-cluster state can transition-through [Formula: see text] (possibly perturbed) period-doubling and subsequent bifurcations-to a variety of multiple-cluster states. The clustering dynamic behavior is computationally studied both at the detailed and the coarse-grained levels, and a numerical approach that can enable studying the coarse-grained dynamics in a network of arbitrarily large size is suggested. Among a number of cluster states formed, double clusters, composed of nearly equal sub-network sizes are seen to be stable; interestingly, the heterogeneity parameter in each of the double-cluster components tends to be consistent with the random variable over the entire network: Given a double-cluster state, permuting the dynamical variables of the neurons can lead to a combinatorially large number of different, yet similar "fine" states that appear practically identical at the coarse-grained level. For weak heterogeneity we find that correlations rapidly develop, within each cluster, between the neuron's "identity" (its own value of the heterogeneity parameter) and its dynamical state. For single- and double-cluster states we demonstrate an effective coarse-graining approach that uses the Polynomial Chaos expansion to succinctly describe the dynamics by these quickly established "identity-state" correlations. This coarse-graining approach is utilized, within the equation-free framework, to perform efficient computations of the neuron ensemble dynamics.

Motions in Prominence Barbs Observed on the Solar Limb

NASA Astrophysics Data System (ADS)

Kucera, T. A.; Ofman, L.; Tarbell, T. D.

2018-06-01

We analyze and discuss an example of prominence barbs observed on the limb on 2016 January 7 by the Hinode/Solar Optical Telescope in Ca II and Hα, the Interface Region Imaging Spectrograph, with slit jaw images and Mg II spectral data, and the Solar Dynamics Observatory’s Atmospheric Imaging Assembly. In the recent literature there has been a debate concerning whether these features, sometimes referred to as “tornadoes,” are rotating. Our data analysis provides no evidence for systematic rotation in the barbs. We do find line-of-sight motions in the barbs that vary with location and time. We also discuss observations of features moving along the barbs. These moving features are elongated parallel to the solar limb and tend to come in clusters of features moving along the same or similar paths in the plane of the sky during a period of 10 minutes to an hour, moving toward or away from the limb. The motion may have a component along the line of sight as well. The spectral data indicate that the features are Doppler shifted. We discuss possible explanations for these features.

Self-assembly of colloids with magnetic caps

NASA Astrophysics Data System (ADS)

Novak, E. V.; Kantorovich, S. S.

2017-06-01

In our earlier work (Steinbach et al., 2016 [1]) we investigated a homogeneous system of magnetically capped colloidal particles that self-assembled via two structural patterns of different symmetry. The particles could form a compact, equilateral triangle with a three-fold rotational symmetry and zero dipole moment and a staggered chain with mirror symmetry with a net magnetisation perpendicular to the chain. The system exhibited a bistability already in clusters of three particles. Based on observations of a real magnetic particles system, analytical calculations and molecular dynamics simulations, it has been shown that the bistability is a result of an anisotropic magnetisation distribution with rotational symmetry inside the particles. The present study is a logical extension of the above research and forms a preparatory stage for the study of a self-assembly of such magnetic particles under the influence of an external magnetic field. Since the magnetic field is only an additive contribution to the total ground state energy, we can study the interparticle interaction energies of candidate ground state structures based on the field-free terms.

Dynamics of molecules in extreme rotational states

PubMed Central

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

2011-01-01

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

Fast-Moving Bacteria Self-Organize into Active Two-Dimensional Crystals of Rotating Cells

NASA Astrophysics Data System (ADS)

Petroff, Alexander P.; Wu, Xiao-Lun; Libchaber, Albert

2015-04-01

We investigate a new form of collective dynamics displayed by Thiovulum majus, one of the fastest-swimming bacteria known. Cells spontaneously organize on a surface into a visually striking two-dimensional hexagonal lattice of rotating cells. As each constituent cell rotates its flagella, it creates a tornadolike flow that pulls neighboring cells towards and around it. As cells rotate against their neighbors, they exert forces on one another, causing the crystal to rotate and cells to reorganize. We show how these dynamics arise from hydrodynamic and steric interactions between cells. We derive the equations of motion for a crystal, show that this model explains several aspects of the observed dynamics, and discuss the stability of these active crystals.

Spinning Like a Blue Straggler: The Population of Fast Rotating Blue Straggler Stars in ω Centauri

NASA Astrophysics Data System (ADS)

Mucciarelli, A.; Lovisi, L.; Ferraro, F. R.; Dalessandro, E.; Lanzoni, B.; Monaco, L.

2014-12-01

By using high-resolution spectra acquired with FLAMES-GIRAFFE at the ESO/VLT, we measured the radial and rotational velocities for 110 blue straggler stars (BSSs) in ω Centauri, the globular cluster-like stellar system harboring the largest known BSS population. According to their radial velocities, 109 BSSs are members of the system. The rotational velocity distribution is very broad, with the bulk of BSSs spinning at less than ~40 km s-1 (in agreement with the majority of such stars observed in other globular clusters) and a long tail reaching ~200 km s-1. About 40% of the sample has ve sin i > 40 km s-1 and about 20% has ve sin i > 70 km s-1. Such a large fraction is very similar to the percentage of fast rotating BSSs observed in M4. Thus, ω Centauri is the second stellar cluster, beyond M4, with a surprisingly high population of fast spinning BSSs. We found a hint of radial behavior for a fraction of fast rotating BSSs, with a mild peak within one core radius, and a possible rise in the external regions (beyond four core radii). This may suggest that recent formation episodes of mass transfer BSSs occurred preferentially in the outskirts of ω Centauri, or that braking mechanisms able to slow down these stars are least efficient in the lowest density environments. Based on observations collected at the ESO-VLT under the programs 077.D-0696(A), 081.D-0356(A), and 089.D-0298(A).

Dynamics of Galaxy Clusters and Expectations from Astro-H

NASA Technical Reports Server (NTRS)

Markevitch, Maxim

2012-01-01

Galaxy clusters span a range of dynamical states, from violent mergers -- the most energetic events in the Universe -- to systems near hydrostatic equilibrium that allow us to map their dark matter distribution using X-ray observations of the intracluster gas. Accurate knowledge of the cluster physics, and in particular, the physics of the hot intracluster gas, is required to realize the full potential of clusters as cosmological probes. So far, we have been studying the cluster dynamics indirectly, deducing merger geometries, cluster masses, etc., using X-ray brightness and gas temperature mapping. For the first time, the calorimeter onboard Astro-H will provide direct measurements of line-of-sight velocities and turbulent broadening in the intracluster gas, testing many of our key assumptions about clusters. This talk will summarize expectations for cluster dynamic studies with this new instrument.

Red giants and yellow stragglers in the young open cluster NGC 2447

NASA Astrophysics Data System (ADS)

da Silveira, M. D.; Pereira, C. B.; Drake, N. A.

2018-06-01

In this work we analysed, using high-resolution spectroscopy, a sample of 12 single and 4 spectroscopic binary stars of the open cluster NGC 2447. For the single stars, we obtained atmospheric parameters and chemical abundances of Li, C, N, O, Na, Mg, Al, Ca, Si, Ti, Ni, Cr, Y, Zr, La, Ce, Nd, Eu. Rotational velocities were obtained for all the stars. The abundances of the light elements and Eu and the rotational velocities were derived using spectral synthesis technique. We obtained a mean metallicity of [Fe/H] = -0.17 ± 0.05. We found that the abundances of all elements are similar to field giants and/or giants of open clusters, even for the s-process elements, which are enhanced as in other young open clusters. We show that the spectroscopic binaries NGC 2447-26, 38, and 42 are yellow-straggler stars, of which the primary is a giant star and the secondary a main-sequence A-type star.

Nonlinear dynamics of mini-satellite respinup by weak internal controllable torques

NASA Astrophysics Data System (ADS)

Somov, Yevgeny

2014-12-01

Contemporary space engineering advanced new problem before theoretical mechanics and motion control theory: a spacecraft directed respinup by the weak restricted control internal forces. The paper presents some results on this problem, which is very actual for energy supply of information mini-satellites (for communication, geodesy, radio- and opto-electronic observation of the Earth et al.) with electro-reaction plasma thrusters and gyro moment cluster based on the reaction wheels or the control moment gyros. The solution achieved is based on the methods for synthesis of nonlinear robust control and on rigorous analytical proof for the required spacecraft rotation stability by Lyapunov function method. These results were verified by a computer simulation of strongly nonlinear oscillatory processes at respinuping of a flexible spacecraft.

Principles and Algorithms for Natural and Engineered Systems

DTIC Science & Technology

2014-12-16

Toolbox for MATLAB into C/C++. The target for the calibration is a 2D black and white checkerboard pattern. In a typical set of calibration images...errors the dynamic clusters typically contain entangled trajectories i.e. links form between two different dynamic clusters (see Figures 8 and 9). To...all dynamic clusters is L, and the average number of trajectories a given dynamic cluster are entangled with for its entire length is known as the

IN-SYNC. III. The Dynamical State of IC 348 - A Super-virial Velocity Dispersion and a Puzzling Sign of Convergence

NASA Astrophysics Data System (ADS)

Cottaar, Michiel; Covey, Kevin R.; Foster, Jonathan B.; Meyer, Michael R.; Tan, Jonathan C.; Nidever, David L.; Chojnowski, S. Drew; da Rio, Nicola; Flaherty, Kevin M.; Frinchaboy, Peter M.; Majewski, Steve; Skrutskie, Michael F.; Wilson, John C.; Zasowski, Gail

2015-07-01

Most field stars will have encountered the highest stellar density and hence the largest number of interactions in their birth environment. Yet the stellar dynamics during this crucial phase are poorly understood. Here we analyze the radial velocities measured for 152 out of 380 observed stars in the 2-6 Myr old star cluster IC 348 as part of the SDSS-III APOGEE. The radial velocity distribution of these stars is fitted with one or two Gaussians, convolved with the measurement uncertainties including binary orbital motions. Including a second Gaussian improves the fit; the high-velocity outliers that are best fit by this second component may either (1) be contaminants from the nearby Perseus OB2 association, (2) be a halo of ejected or dispersing stars from IC 348, or (3) reflect that IC 348 has not relaxed to a Gaussian velocity distribution. We measure a velocity dispersion for IC 348 of 0.72 ± 0.07 km s-1 (or 0.64 ± 0.08 km s-1 if two Gaussians are fitted), which implies a supervirial state, unless the gas contributes more to the gravitational potential than expected. No evidence is found for a dependence of this velocity dispersion on distance from the cluster center or stellar mass. We also find that stars with lower extinction (in the front of the cloud) tend to be redshifted compared with stars with somewhat higher extinction (toward the back of the cloud). This data suggest that the stars in IC 348 are converging along the line of sight. We show that this correlation between radial velocity and extinction is unlikely to be spuriously caused by the small cluster rotation of 0.024 ± 0.013 km s-1 arcmin-1 or by correlations between the radial velocities of neighboring stars. This signature, if confirmed, will be the first detection of line of sight convergence in a star cluster. Possible scenarios for reconciling this convergence with IC 348's observed supervirial state include: (a) the cluster is fluctuating around a new virial equilibrium after a recent disruption due to gas expulsion or a merger event, or (b) the population we identify as IC 348 results from the chance alignment of two sub-clusters converging along the line of sight. Additional measurements of tangential and radial velocities in IC 348 will be important for clarifying the dynamics of this region and informing models of the formation and evolution of star clusters. The radial velocities analyzed in this paper have been made available online.

Oriented xenon hydride molecules in the gas phase

NASA Astrophysics Data System (ADS)

Buck, Udo; Fárník, Michal

The production of the xenon hydride molecules HXeX with X = I and Cl in the gas phase is reviewed. These molecules are generated by the photolysis of the hydrogen halide HI and HCl molecules on the surface of large xenon Xen clusters. Molecular dynamics simulations show that the flexible H atoms react with the heavy XeX moiety and form the desired molecules with nearly no rotational motion. They are observed by photodissociation with subsequent detection of the kinetic energy of the H atom fragment. During the generating process, the cluster starts to evaporate and the hydride molecule is left essentially free. For further discrimination against the H atom fragments from HX, the HXeX molecules are oriented in a combined pulsed laser field and a weak electrostatic field. The three topics which represent the background of our experiments are briefly reviewed: the nature and generation of rare gas hydrides, the alignment and orientation of molecules in electric fields, and the photodissociation of selected molecules in rare gas clusters. The conditions for detecting them in the gas phase are discussed. This is the trade off between the stability, which requires high electron affinity, and the conditions for orientation, which necessitate large polarizability anisotropies and dipole moments. Finally the prospects of detecting other classes of molecules are discussed.

Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble

PubMed Central

Yongye, Austin B.; Bender, Andreas

2010-01-01

Representing the 3D structures of ligands in virtual screenings via multi-conformer ensembles can be computationally intensive, especially for compounds with a large number of rotatable bonds. Thus, reducing the size of multi-conformer databases and the number of query conformers, while simultaneously reproducing the bioactive conformer with good accuracy, is of crucial interest. While clustering and RMSD filtering methods are employed in existing conformer generators, the novelty of this work is the inclusion of a clustering scheme (NMRCLUST) that does not require a user-defined cut-off value. This algorithm simultaneously optimizes the number and the average spread of the clusters. Here we describe and test four inter-dependent approaches for selecting computer-generated conformers, namely: OMEGA, NMRCLUST, RMS filtering and averaged-RMS filtering. The bioactive conformations of 65 selected ligands were extracted from the corresponding protein:ligand complexes from the Protein Data Bank, including eight ligands that adopted dissimilar bound conformations within different receptors. We show that NMRCLUST can be employed to further filter OMEGA-generated conformers while maintaining biological relevance of the ensemble. It was observed that NMRCLUST (containing on average 10 times fewer conformers per compound) performed nearly as well as OMEGA, and both outperformed RMS filtering and averaged-RMS filtering in terms of identifying the bioactive conformations with excellent and good matches (0.5 < RMSD < 1.0 Å). Furthermore, we propose thresholds for OMEGA root-mean square filtering depending on the number of rotors in a compound: 0.8, 1.0 and 1.4 for structures with low (1–4), medium (5–9) and high (10–15) numbers of rotatable bonds, respectively. The protocol employed is general and can be applied to reduce the number of conformers in multi-conformer compound collections and alleviate the complexity of downstream data processing in virtual screening experiments. Electronic supplementary material The online version of this article (doi:10.1007/s10822-010-9365-1) contains supplementary material, which is available to authorized users. PMID:20499135

Sloshing of Cryogenic Helium Driven by Lateral Impulse/Gravity Gradient-Dominated/or g-Jitter-Dominated Accelerations and Orbital Dynamics

NASA Technical Reports Server (NTRS)

Hung, R. J.; Long, Y. T.; Zu, G. J.

1996-01-01

The coupling of slosh dynamics within a partially filled rotating dewar of superfluid helium 11 with spacecraft orbital dynamics is investigated in response to the environmental disturbances of (a) lateral impulses, (b) gravity gradients and (c) g-jitter forces. The purpose of this study is to investigate how the coupling of helium 11 fluid slosh dynamics driven by three cases of environmental force with spacecraft dynamics can affect the bubble deformations and their associated fluid and spacecraft mass centre fluctuations. The numerical computation of slosh dynamics is based on a rotational frame, while the spacecraft dynamics is associated with a non-rotational frame. Results show that the major contribution of orbital dynamics is driven by coupling with slosh dynamics. Neglecting the effect of slosh dynamics acting on the spacecraft may lead to the wrong results for the development of orbital and attitude control techniques.

Collective rotations of active particles interacting with obstacles

NASA Astrophysics Data System (ADS)

Mokhtari, Zahra; Aspelmeier, Timo; Zippelius, Annette

2017-10-01

We consider active particles in a heterogeneous medium, modeled by static, random obstacles. In accordance with the known tendency of active particles to cluster, we observe accumulation and crystallization of active particles around the obstacles which serve as nucleation sites. In the limit of high activity, the crystals start to rotate spontaneously, resembling a rotating rigid body. We trace the occurrence of these oscillations to the enhanced attraction of particles whose orientation points along the rotational velocity as compared to those whose orientation points in the opposite direction.

Inertial measurement unit using rotatable MEMS sensors

DOEpatents

Kohler, Stewart M [Albuquerque, NM; Allen, James J [Albuquerque, NM

2007-05-01

A MEM inertial sensor (e.g. accelerometer, gyroscope) having integral rotational means for providing static and dynamic bias compensation is disclosed. A bias compensated MEM inertial sensor is described comprising a MEM inertial sense element disposed on a rotatable MEM stage. A MEM actuator drives the rotation of the stage between at least two predetermined rotational positions. Measuring and comparing the output of the MEM inertial sensor in the at least two rotational positions allows for both static and dynamic bias compensation in inertial calculations based on the sensor's output. An inertial measurement unit (IMU) comprising a plurality of independently rotatable MEM inertial sensors and methods for making bias compensated inertial measurements are disclosed.

Inertial measurement unit using rotatable MEMS sensors

DOEpatents

Kohler, Stewart M.; Allen, James J.

2006-06-27

A MEM inertial sensor (e.g. accelerometer, gyroscope) having integral rotational means for providing static and dynamic bias compensation is disclosed. A bias compensated MEM inertial sensor is described comprising a MEM inertial sense element disposed on a rotatable MEM stage. A MEM actuator for drives the rotation of the stage between at least two predetermined rotational positions. Measuring and comparing the output of the MEM inertial sensor in the at least two rotational positions allows, for both static and dynamic bias compensation in inertial calculations based on the sensor's output. An inertial measurement unit (IMU) comprising a plurality of independently rotatable MEM inertial sensors and methods for making bias compensated inertial measurements are disclosed.

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

PubMed

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

2012-02-09

The motional behavior of p-phenylene-d(4) rotators confined within the 2D layers of a hierarchically ordered periodic mesoporous p-divinylbenzenesilica has been elucidated to evaluate the effects of reduced dimensionality on the engineered dynamics of artificial molecular machines. The hybrid mesoporous material, characterized by a honeycomb lattice structure, has arrays of alternating p-divinylbenzene rotors and siloxane layers forming the molecularly ordered walls of the mesoscopic channels. The p-divinylbenzene rotors are strongly anchored between two adjacent siloxane sheets, so that the p-phenylene rotators are unable to experience translational diffusion and are allowed to rotate about only one fixed axis. Variable-temperature (2)H NMR experiments revealed that the p-phenylene rotators undergo an exchange process between sites related by 180° and a non-Arrhenius temperature dependence of the dynamics, with reorientational rates ranging from 10(3) to 10(8) Hz between 215 to 305 K. The regime of motion changes rapidly at about 280 K indicating the occurrence of a dynamical transition. The transition was also recognized by a steep change in the heat capacity at constant pressure. As a result of the robust lamellar architecture comprising the pore walls, the orientational dynamic disorder related to the phase transition is only realized in two dimensions within the layers, that is in the plane perpendicular to the channel axis. Thus, the aligned rotors that form the organic layers exhibit unique anisotropic dynamical properties as a result of the architecture's reduced dimensionality. The dynamical disorder restricted to two dimensions constitutes a highly mobile fluidlike rotational phase at room temperature, which upon cooling undergoes a transition to a more rigid glasslike phase. Activation energies of 5.9 and 9.5 kcal/mol respectively have been measured for the two dynamical regimes of rotation. Collectively, our investigation has led to the discovery of an orientationally disordered 2D rotational glass and its transition from rigid to soft at increasing temperature. The spectral narrowing observed in the (2)H NMR experiments at higher temperatures (310-420 K) is consistent with fast rotational dynamics, which remain anisotropic in nature within the robust lamellar architecture. This study suggests that exploiting reduced dimensionality in the design of solid-state artificial molecular machines and functional materials may yield access to behavior previously unrealized in 3D materials. © 2012 American Chemical Society

Dynamics of an [Fe4S4(SPh)4]2- cluster explored via IR, Raman, and nuclear resonance vibrational spectroscopy (NRVS)-analysis using 36S substitution, DFT calculations, and empirical force fields.

PubMed

Xiao, Yuming; Koutmos, Markos; Case, David A; Coucouvanis, Dimitri; Wang, Hongxin; Cramer, Stephen P

2006-05-14

We have used four vibrational spectroscopies--FT-IR, FT-Raman, resonance Raman, and 57Fe nuclear resonance vibrational spectroscopy (NRVS)--to study the normal modes of the Fe-S cluster in [(n-Bu)4N]2[Fe4S4(SPh)4]. This [Fe4S4(SR)4]2- complex serves as a model for the clusters in 4Fe ferredoxins and high-potential iron proteins (HiPIPs). The IR spectra exhibited differences above and below the 243 K phase transition. Significant shifts with 36S substitution into the bridging S positions were also observed. The NRVS results were in good agreement with the low temperature data from the conventional spectroscopies. The NRVS spectra were interpreted by normal mode analysis using optimized Urey-Bradley force fields (UBFF) as well as from DFT theory. For the UBFF calculations, the parameters were refined by comparing calculated and observed NRVS frequencies and intensities. The frequency shifts after 36S substitution were used as an additional constraint. A D 2d symmetry Fe4S4S'4 model could explain most of the observed frequencies, but a better match to the observed intensities was obtained when the ligand aromatic rings were included for a D 2d Fe4S4(SPh)4 model. The best results were obtained using the low temperature structure without symmetry constraints. In addition to stretching and bending vibrations, low frequency modes between approximately 50 and 100 cm(-1) were observed. These modes, which have not been seen before, are interpreted as twisting motions with opposing sides of the cube rotating in opposite directions. In contrast with a recent paper on a related Fe4S4 cluster, we find no need to assign a large fraction of the low frequency NRVS intensity to 'rotational lattice modes'. We also reassign the 430 cm(-1) band as primarily an elongation of the thiophenolate ring, with approximately 10% terminal Fe-S stretch character. This study illustrates the benefits of combining NRVS with conventional Raman and IR analysis for characterization of Fe-S centers. DFT theory is shown to provide remarkable agreement with the experimental NRVS data. These results provide a reference point for the analysis of more complex Fe-S clusters in proteins.

Rotation in the Dynamic Factor Modeling of Multivariate Stationary Time Series.

ERIC Educational Resources Information Center

Molenaar, Peter C. M.; Nesselroade, John R.

2001-01-01

Proposes a special rotation procedure for the exploratory dynamic factor model for stationary multivariate time series. The rotation procedure applies separately to each univariate component series of a q-variate latent factor series and transforms such a component, initially represented as white noise, into a univariate moving-average.…

MIKiS: The Multi-instrument Kinematic Survey of Galactic Globular Clusters. I. Velocity Dispersion Profiles and Rotation Signals of 11 Globular Clusters

NASA Astrophysics Data System (ADS)

Ferraro, F. R.; Mucciarelli, A.; Lanzoni, B.; Pallanca, C.; Lapenna, E.; Origlia, L.; Dalessandro, E.; Valenti, E.; Beccari, G.; Bellazzini, M.; Vesperini, E.; Varri, A.; Sollima, A.

2018-06-01

We present the first results of the Multi-Instrument Kinematic Survey of Galactic Globular Clusters (GGCs), a project aimed at exploring the internal kinematics of a representative sample of GGCs from the radial velocity of individual stars, covering the entire radial extension of each system. This is achieved by exploiting the formidable combination of multi-object and integral field unit spectroscopic facilities of the ESO Very Large Telescope. As a first step, here we discuss the results obtained for 11 clusters from high and medium resolution spectra acquired through a combination of FLAMES and KMOS observations. We provide the first kinematical characterization of NGC 1261 and NGC 6496. In all the surveyed systems, the velocity dispersion profile declines at increasing radii, in agreement with the expectation from the King model that best fits the density/luminosity profile. In the majority of the surveyed systems, we find evidence of rotation within a few half-mass radii from the center. These results are in general overall agreement with the predictions of recent theoretical studies, suggesting that the detected signals could be the relic of significant internal rotation set at the epoch of the cluster’s formation. Based on FLAMES and KMOS observations performed at the European Southern Observatory as part of the Large Programme 193.D-0232 (PI: Ferraro).

Translational, rotational and vibrational relaxation dynamics of a solute molecule in a non-interacting solvent.

PubMed

Grubb, Michael P; Coulter, Philip M; Marroux, Hugo J B; Hornung, Balazs; McMullen, Ryan S; Orr-Ewing, Andrew J; Ashfold, Michael N R

2016-11-01

Spectroscopically observing the translational and rotational motion of solute molecules in liquid solutions is typically impeded by their interactions with the solvent, which conceal spectral detail through linewidth broadening. Here we show that unique insights into solute dynamics can be made with perfluorinated solvents, which interact weakly with solutes and provide a simplified liquid environment that helps to bridge the gap in our understanding of gas- and liquid-phase dynamics. Specifically, we show that in such solvents, the translational and rotational cooling of an energetic CN radical can be observed directly using ultrafast transient absorption spectroscopy. We observe that translational-energy dissipation within these liquids can be modelled through a series of classic collisions, whereas classically simulated rotational-energy dissipation is shown to be distinctly faster than experimentally measured. We also observe the onset of rotational hindering from nearby solvent molecules, which arises as the average rotational energy of the solute falls below the effective barrier to rotation induced by the solvent.

Dynamic behaviour of a rolling tyre: Experimental and numerical analyses

NASA Astrophysics Data System (ADS)

Gonzalez Diaz, Cristobal; Kindt, Peter; Middelberg, Jason; Vercammen, Stijn; Thiry, Christophe; Close, Roland; Leyssens, Jan

2016-03-01

Based on the results of experimental and numerical analyses, the effect of rotation on the tyre dynamic behaviour is investigated. Better understanding of these effects will further improve the ability to control and optimize the noise and vibrations that result from the interaction between the road surface and the rolling tyre. Therefore, more understanding in the complex tyre dynamic properties will contribute to develop tyre design strategies to lower the tyre/road noise while less affecting other tyre performances. The presented work is performed in the framework of the European industry-academia project TIRE-DYN, with partners Goodyear, Katholieke Universiteit Leuven and LMS International. The effect of rotation on the tyre dynamic behaviour is quantified for different operating conditions of the tyre, such as load, air pressure and rotation speed. By means of experimental and numerical analyses, the effects of rotation on the tyre dynamic behaviour are studied.

Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory

NASA Astrophysics Data System (ADS)

Jensen, Christian H.; Nerukh, Dmitry; Glen, Robert C.

2008-03-01

We investigate the sensitivity of a Markov model with states and transition probabilities obtained from clustering a molecular dynamics trajectory. We have examined a 500ns molecular dynamics trajectory of the peptide valine-proline-alanine-leucine in explicit water. The sensitivity is quantified by varying the boundaries of the clusters and investigating the resulting variation in transition probabilities and the average transition time between states. In this way, we represent the effect of clustering using different clustering algorithms. It is found that in terms of the investigated quantities, the peptide dynamics described by the Markov model is sensitive to the clustering; in particular, the average transition times are found to vary up to 46%. Moreover, inclusion of nonphysical sparsely populated clusters can lead to serious errors of up to 814%. In the investigation, the time step used in the transition matrix is determined by the minimum time scale on which the system behaves approximately Markovian. This time step is found to be about 100ps. It is concluded that the description of peptide dynamics with transition matrices should be performed with care, and that using standard clustering algorithms to obtain states and transition probabilities may not always produce reliable results.

Atomic detail brownian dynamics simulations of concentrated protein solutions with a mean field treatment of hydrodynamic interactions.

PubMed

Mereghetti, Paolo; Wade, Rebecca C

2012-07-26

High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. In this paper, we describe the implementation of mean field models of translational and rotational hydrodynamic interactions into an atomically detailed many-protein brownian dynamics simulation method. Concentrated solutions (30-40% volume fraction) of myoglobin, hemoglobin A, and sickle cell hemoglobin S were simulated, and static structure factors, oligomer formation, and translational and rotational self-diffusion coefficients were computed. Good agreement of computed properties with available experimental data was obtained. The results show the importance of both solvent mediated interactions and weak protein-protein interactions for accurately describing the dynamics and the association properties of concentrated protein solutions. Specifically, they show a qualitative difference in the translational and rotational dynamics of the systems studied. Although the translational diffusion coefficient is controlled by macromolecular shape and hydrodynamic interactions, the rotational diffusion coefficient is affected by macromolecular shape, direct intermolecular interactions, and both translational and rotational hydrodynamic interactions.

The properties of the disk system of globular clusters

NASA Technical Reports Server (NTRS)

Armandroff, Taft E.

1989-01-01

A large refined data sample is used to study the properties and origin of the disk system of globular clusters. A scale height for the disk cluster system of 800-1500 pc is found which is consistent with scale-height determinations for samples of field stars identified with the Galactic thick disk. A rotational velocity of 193 + or - 29 km/s and a line-of-sight velocity dispersion of 59 + or - 14 km/s have been found for the metal-rich clusters.

Tunable far infrared laser spectrometers

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

Blake, G.A.; Laughlin, K.B.; Cohen, R.C.

The state of the art in far infrared (FIR) spectroscopy is reviewed. The development of tunable, coherent FIR radiation sources is discussed. Applications of tunable FIR laser spectrometers for measurement of rotational spectra and dipole moments of molecular ions and free radicals, vibration-rotation-tunneling (VRT) spectra of weakly bound complexes, and vibration-rotation spectra of linear carbon clusters are presented. A detailed description of the Berkeley tunable FIR laser spectrometers is presented in the following article.

Asymmetry identification in rigid rotating bodies—Theory and experiment

NASA Astrophysics Data System (ADS)

Bucher, Izhak; Shomer, Ofer

2013-12-01

Asymmetry and anisotropy are important parameters in rotating devices that can cause instability; indicate a manufacturing defect or a developing fault. The present paper discusses an identification method capable of detecting minute levels of asymmetry by exploiting the unique dynamics of parametric excitation caused by asymmetry and rotation. The detection relies on rigid body dynamics without resorting to nonlinear vibration analysis, and the natural dynamics of elastically supported systems is exploited in order to increase the sensitivity to asymmetry. It is possible to isolate asymmetry from other rotation-induced phenomena like unbalance. An asymmetry detection machine which was built in the laboratory demonstrates the method alongside theoretical analysis.

Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations.

PubMed

Linke, Max; Köfinger, Jürgen; Hummer, Gerhard

2018-06-07

We show that the rotational dynamics of proteins and nucleic acids determined from molecular dynamics simulations under periodic boundary conditions suffer from significant finite-size effects. We remove the box-size dependence of the rotational diffusion coefficients by adding a hydrodynamic correction k B T/6 ηV with k B Boltzmann's constant, T the absolute temperature, η the solvent shear viscosity, and V the box volume. We show that this correction accounts for the finite-size dependence of the rotational diffusion coefficients of horse-heart myoglobin and a B-DNA dodecamer in aqueous solution. The resulting hydrodynamic radii are in excellent agreement with experiment.

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

NASA Technical Reports Server (NTRS)

Lai, Steven H.-Y.

1992-01-01

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

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization

PubMed Central

2018-01-01

Macrocycles are of considerable interest as highly specific drug candidates, yet they challenge standard conformer generators with their large number of rotatable bonds and conformational restrictions. Here, we present a molecular dynamics-based routine that bypasses current limitations in conformational sampling and extensively profiles the free energy landscape of peptidic macrocycles in solution. We perform accelerated molecular dynamics simulations to capture a diverse conformational ensemble. By applying an energetic cutoff, followed by geometric clustering, we demonstrate the striking robustness and efficiency of the approach in identifying highly populated conformational states of cyclic peptides. The resulting structural and thermodynamic information is benchmarked against interproton distances from NMR experiments and conformational states identified by X-ray crystallography. Using three different model systems of varying size and flexibility, we show that the method reliably reproduces experimentally determined structural ensembles and is capable of identifying key conformational states that include the bioactive conformation. Thus, the described approach is a robust method to generate conformations of peptidic macrocycles and holds promise for structure-based drug design. PMID:29652495

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization.

PubMed

Kamenik, Anna S; Lessel, Uta; Fuchs, Julian E; Fox, Thomas; Liedl, Klaus R

2018-05-29

Macrocycles are of considerable interest as highly specific drug candidates, yet they challenge standard conformer generators with their large number of rotatable bonds and conformational restrictions. Here, we present a molecular dynamics-based routine that bypasses current limitations in conformational sampling and extensively profiles the free energy landscape of peptidic macrocycles in solution. We perform accelerated molecular dynamics simulations to capture a diverse conformational ensemble. By applying an energetic cutoff, followed by geometric clustering, we demonstrate the striking robustness and efficiency of the approach in identifying highly populated conformational states of cyclic peptides. The resulting structural and thermodynamic information is benchmarked against interproton distances from NMR experiments and conformational states identified by X-ray crystallography. Using three different model systems of varying size and flexibility, we show that the method reliably reproduces experimentally determined structural ensembles and is capable of identifying key conformational states that include the bioactive conformation. Thus, the described approach is a robust method to generate conformations of peptidic macrocycles and holds promise for structure-based drug design.

Extended main sequence turnoffs in intermediate-age star clusters: a correlation between turnoff width and early escape velocity

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

Goudfrooij, Paul; Kozhurina-Platais, Vera; Kalirai, Jason S.

2014-12-10

We present a color-magnitude diagram analysis of deep Hubble Space Telescope imaging of a mass-limited sample of 18 intermediate-age (1-2 Gyr old) star clusters in the Magellanic Clouds, including eight clusters for which new data were obtained. We find that all star clusters in our sample feature extended main-sequence turnoff (eMSTO) regions that are wider than can be accounted for by a simple stellar population (including unresolved binary stars). FWHM widths of the MSTOs indicate age spreads of 200-550 Myr. We evaluate the dynamical evolution of clusters with and without initial mass segregation. Our main results are (1) the fractionmore » of red clump (RC) stars in secondary RCs in eMSTO clusters scales with the fraction of MSTO stars having pseudo-ages of ≲1.35 Gyr; (2) the width of the pseudo-age distributions of eMSTO clusters is correlated with their central escape velocity v {sub esc}, both currently and at an age of 10 Myr. We find that these two results are unlikely to be reproduced by the effects of interactive binary stars or a range of stellar rotation velocities. We therefore argue that the eMSTO phenomenon is mainly caused by extended star formation within the clusters; and (3) we find that v {sub esc} ≥ 15 km s{sup –1} out to ages of at least 100 Myr for all clusters featuring eMSTOs, and v {sub esc} ≤ 12 km s{sup –1} at all ages for two lower-mass clusters in the same age range that do not show eMSTOs. We argue that eMSTOs only occur for clusters whose early escape velocities are higher than the wind velocities of stars that provide material from which second-generation stars can form. The threshold of 12-15 km s{sup –1} is consistent with wind velocities of intermediate-mass asymptotic giant branch stars and massive binary stars in the literature.« less

Galaxy kinematics in the XMMU J2235-2557 cluster field at z 1.4

NASA Astrophysics Data System (ADS)

Pérez-Martínez, J. M.; Ziegler, B.; Verdugo, M.; Böhm, A.; Tanaka, M.

2017-09-01

Aims: The relationship between baryonic and dark components in galaxies varies with the environment and cosmic time. Galaxy scaling relations describe strong trends between important physical properties. A very important quantitative tool in case of spiral galaxies is the Tully-Fisher relation (TFR), which combines the luminosity of the stellar population with the characteristic rotational velocity (Vmax) taken as proxy for the total mass. In order to constrain galaxy evolution in clusters, we need measurements of the kinematic status of cluster galaxies at the starting point of the hierarchical assembly of clusters and the epoch when cosmic star formation peaks. Methods: We took spatially resolved slit FORS2 spectra of 19 cluster galaxies at z 1.4, and 8 additional field galaxies at 1 < z < 1.2 using the ESO Very Large Telescope. The targets were selected from previous spectroscopic and photometric campaigns as [OII] and Hα emitters. Our spectroscopy was complemented with HST/ACS imaging in the F775W and F850LP filters, which is mandatory to derive the galaxy structural parameters accurately. We analyzed the ionized gas kinematics by extracting rotation curves from the two-dimensional spectra. Taking into account all geometrical, observational, and instrumental effects, we used these rotation curves to derive the intrinsic maximum rotation velocity. Results: Vmax was robustly determined for six cluster galaxies and three field galaxies. Galaxies with sky contamination or insufficient spatial rotation curve extent were not included in our analysis. We compared our sample to the local B-band TFR and the local velocity-size relation (VSR), finding that cluster galaxies are on average 1.6 mag brighter and a factor 2-3 smaller. We tentatively divided our cluster galaxies by total mass (I.e., Vmax) to investigate a possible mass dependency in the environmental evolution of galaxies. The averaged deviation from the local TFR is ⟨ ΔMB ⟩ = -0.7 for the high-mass subsample (Vmax > 200 km s-1). This mild evolution may be driven by younger stellar populations (SP) of distant galaxies with respect to their local counterparts, and thus, an increasing luminosity is expected toward higher redshifts. However, the low-mass subsample (Vmax < 200 km s-1) is made of highly overluminous galaxies that show ⟨ ΔMB ⟩ = -2.4 mag. When we repeated a similar analysis with the stellar mass TFR, we did not find significant offsets in our subsamples with respect to recent results at similar redshift. While the B-band TFR is sensitive to recent episodes of star formation, the stellar mass TFR tracks the overall evolution of the underlying stellar population. In order to understand the discrepancies between these two incarnations of the TFR, the reported B-band offsets can no longer be explained only by the gradual evolution of stellar populations with lookback time. We suspect that we instead see compact galaxies whose star formation was enhanced during their infall toward the dense regions of the cluster through interactions with the intracluster medium. Based on observations with the European Southern Observatory Very Large Telescope (ESO-VLT), observing run ID 091.B-0778(B).

Rotation of low-mass stars - A new probe of stellar evolution

NASA Technical Reports Server (NTRS)

Pinsonneault, M. H.; Kawaler, Steven D.; Demarque, P.

1990-01-01

Models of stars of various masses and rotational parameters were developed and compared with observations of stars in open clusters of various ages in order to analyze the evolution of rotating stars from the early premain sequence to an age of 1.7 x 10 to the 9th yrs. It is shown that, for stars older than 10 to the 8th yrs and less massive than 1.1 solar mass, the surface rotation rates depend most strongly on the properties of the angular momentum loss. The trends of the currently available observations suggest that the rotation periods are a good indicator of the field-star ages.

Dynamical evolution of globular-cluster systems in clusters of galaxies

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

Muzzio, J.C.

1987-04-01

The dynamical processes that affect globular-cluster systems in clusters of galaxies are analyzed. Two-body and impulsive approximations are utilized to study dynamical friction, drag force, tidal stripping, tidal radii, globular-cluster swapping, tidal accretion, and galactic cannibalism. The evolution of galaxies and the collision of galaxies are simulated numerically; the steps involved in the simulation are described. The simulated data are compared with observations. Consideration is given to the number of galaxies, halo extension, location of the galaxies, distribution of the missing mass, nonequilibrium initial conditions, mass dependence, massive central galaxies, globular-cluster distribution, and lost globular clusters. 116 references.

Studies on dynamic behavior of rotating mirrors

NASA Astrophysics Data System (ADS)

Li, Jingzhen; Sun, Fengshan; Gong, Xiangdong; Huang, Hongbin; Tian, Jie

2005-02-01

A rotating mirror is a kernel unit in a Miller-type high speed camera, which is both as an imaging element in optical path and as an element to implement ultrahigh speed photography. According to Schardin"s Principle, information capacity of an ultrahigh speed camera with rotating mirror depends on primary wavelength of lighting used by the camera and limit linear velocity on edge of the rotating-mirror: the latter is related to material (including specifications in technology), cross-section shape and lateral structure of rotating mirror. In this manuscript dynamic behavior of high strength aluminium alloy rotating mirrors is studied, from which it is preliminarily shown that an aluminium alloy rotating mirror can be absolutely used as replacement for a steel rotating-mirror or a titanium alloy rotating-mirror in framing photographic systems, and it could be also used as a substitute for a beryllium rotating-mirror in streak photographic systems.

VizieR Online Data Catalog: VFTS. O-type stellar content of 30 Dor (Walborn+, 2014)

NASA Astrophysics Data System (ADS)

Walborn, N. R.; Sana, H.; Simon-Diaz, S.; Maiz Apellaniz, J.; Taylor, W. D.; Evans, C. J.; Markova, N.; Lennon, D. J.; de Koter, A.

2014-06-01

Detailed spectral classifications are presented for 352 O-B0 stars in the VLT-FLAMES Tarantula Survey ESO Large Programme, of which 213 O-type are judged of sufficiently high quality for further morphological analysis. Among them, six subcategories of special interest are distinguished. (1) Several new examples of the earliest spectral types O2-O3 have been found, while a previously known example has been determined to belong to the nitrogen-rich ON2 class. (2) A group of extremely rapidly rotating main-sequence objects has been isolated, including the largest vsini values known, the spatial and radial-velocity distributions of which suggest ejection from the two principal ionizing clusters NGC 2070 and NGC 2060. (3) Several new examples of the evolved, rapidly rotating Onfp class show similar evidence, although at least some of them are spectroscopic binaries. (4) No fewer than 48 members of the Vz category, hypothesized to be on or near the zero-age main sequence, are found in this sample; in contrast to the rapid rotators, they are strongly concentrated to the ionizing clusters and a newly recognized region of current and recent star formation to the north, supporting their interpretation as very young objects, as do their relatively faint absolute magnitudes. (5) A surprisingly large fraction of the main-sequence spectra belong to the recently recognized V((fc)) class, with CIII emission lines of similar strength to the usual NIII in V((f)) spectra, although a comparable number of the latter are also present, as well as six objects with very high-quality data but no trace of either emission feature, presenting new challenges to physical interpretations. (6) Two mid-O Vz and three late-O giant/supergiant spectra with morphologically enhanced nitrogen lines have been detected. Absolute visual magnitudes have been derived for each star with individual extinction laws, and composite Hertzsprung-Russell diagrams provide evidence of the multiple generations present in this field. Spectroscopic binaries, resolved visual multiples, and possible associations with X-ray sources are noted. Astrophysical and dynamical analyses of this unique dataset underway will provide new insights into the evolution of massive stars and starburst clusters. (2 data files).

Solvation of carbonaceous molecules by para-H2 and ortho-D2 clusters. II. Fullerenes.

PubMed

Calvo, F; Yurtsever, E

2016-08-28

The coating of various fullerenes by para-hydrogen and ortho-deuterium molecules has been computationally studied as a function of the solvent amount. Rotationally averaged interaction potentials for structureless hydrogen molecules are employed to model their interaction with neutral or charged carbonaceous dopants containing between 20 and 240 atoms, occasionally comparing different fullerenes having the same size but different shapes. The solvation energy and the size of the first solvation shell obtained from path-integral molecular dynamics simulations at 2 K show only minor influence on the dopant charge and on the possible deuteration of the solvent, although the shell size is largest for ortho-D2 coating cationic fullerenes. Nontrivial finite size effects have been found with the shell size varying non-monotonically close to its completion limit. For fullerenes embedded in large hydrogen clusters, the shell size and solvation energy both follow linear scaling with the fullerene size. The shell sizes obtained for C60 (+) and C70 (+) are close to 49 and 51, respectively, and agree with mass spectrometry experiments.

Solvation of carbonaceous molecules by para-H2 and ortho-D2 clusters. II. Fullerenes

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2016-08-01

The coating of various fullerenes by para-hydrogen and ortho-deuterium molecules has been computationally studied as a function of the solvent amount. Rotationally averaged interaction potentials for structureless hydrogen molecules are employed to model their interaction with neutral or charged carbonaceous dopants containing between 20 and 240 atoms, occasionally comparing different fullerenes having the same size but different shapes. The solvation energy and the size of the first solvation shell obtained from path-integral molecular dynamics simulations at 2 K show only minor influence on the dopant charge and on the possible deuteration of the solvent, although the shell size is largest for ortho-D2 coating cationic fullerenes. Nontrivial finite size effects have been found with the shell size varying non-monotonically close to its completion limit. For fullerenes embedded in large hydrogen clusters, the shell size and solvation energy both follow linear scaling with the fullerene size. The shell sizes obtained for C 60+ and C 70+ are close to 49 and 51, respectively, and agree with mass spectrometry experiments.

X-ray and optical emission-line filaments in the cooling flow cluster 2A 0335 + 096

NASA Technical Reports Server (NTRS)

Sarazin, Craig L.; O'Connell, Robert W.; Mcnamara, Brian R.

1992-01-01

We present a new high-resolution X-ray image of the 2A 0335 + 096 cluster of galaxies obtained with the High Resolution Imager (HRI) aboard the ROSAT satellite. The presence of dense gas having a very short cooling time in the central regions confirms its earlier identification as a cooling flow. The X-ray emission from the central regions of the cooling flow shows a great deal of filamentary structure. Using the crude spectral resolution of the HRI, we show that these filaments are the result of excess emission, rather than foreground X-ray absorption. Although there are uncertainties in the pointing, many of the X-ray features in the cooling flow region correspond to features in H-alpha optical line emission. This suggests that the optical emission line gas has resulted directly from the cooling of X-ray-emitting gas. The filament material cannot be in hydrostatic equilibrium, and it is likely that other forces such as rotation, turbulence, and magnetic fields influence the dynamical state of the gas.

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

PubMed

Soleilhac, Antonin; Bertorelle, Franck; Antoine, Rodolphe

2018-03-15

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

Galaxy Cluster Mass Reconstruction Project – III. The impact of dynamical substructure on cluster mass estimates

DOE PAGES

Old, L.; Wojtak, R.; Pearce, F. R.; ...

2017-12-20

With the advent of wide-field cosmological surveys, we are approaching samples of hundreds of thousands of galaxy clusters. While such large numbers will help reduce statistical uncertainties, the control of systematics in cluster masses is crucial. Here we examine the effects of an important source of systematic uncertainty in galaxy-based cluster mass estimation techniques: the presence of significant dynamical substructure. Dynamical substructure manifests as dynamically distinct subgroups in phase-space, indicating an ‘unrelaxed’ state. This issue affects around a quarter of clusters in a generally selected sample. We employ a set of mock clusters whose masses have been measured homogeneously withmore » commonly used galaxy-based mass estimation techniques (kinematic, richness, caustic, radial methods). We use these to study how the relation between observationally estimated and true cluster mass depends on the presence of substructure, as identified by various popular diagnostics. We find that the scatter for an ensemble of clusters does not increase dramatically for clusters with dynamical substructure. However, we find a systematic bias for all methods, such that clusters with significant substructure have higher measured masses than their relaxed counterparts. This bias depends on cluster mass: the most massive clusters are largely unaffected by the presence of significant substructure, but masses are significantly overestimated for lower mass clusters, by ~ 10 percent at 10 14 and ≳ 20 percent for ≲ 10 13.5. Finally, the use of cluster samples with different levels of substructure can therefore bias certain cosmological parameters up to a level comparable to the typical uncertainties in current cosmological studies.« less

Galaxy Cluster Mass Reconstruction Project – III. The impact of dynamical substructure on cluster mass estimates

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

Old, L.; Wojtak, R.; Pearce, F. R.

With the advent of wide-field cosmological surveys, we are approaching samples of hundreds of thousands of galaxy clusters. While such large numbers will help reduce statistical uncertainties, the control of systematics in cluster masses is crucial. Here we examine the effects of an important source of systematic uncertainty in galaxy-based cluster mass estimation techniques: the presence of significant dynamical substructure. Dynamical substructure manifests as dynamically distinct subgroups in phase-space, indicating an ‘unrelaxed’ state. This issue affects around a quarter of clusters in a generally selected sample. We employ a set of mock clusters whose masses have been measured homogeneously withmore » commonly used galaxy-based mass estimation techniques (kinematic, richness, caustic, radial methods). We use these to study how the relation between observationally estimated and true cluster mass depends on the presence of substructure, as identified by various popular diagnostics. We find that the scatter for an ensemble of clusters does not increase dramatically for clusters with dynamical substructure. However, we find a systematic bias for all methods, such that clusters with significant substructure have higher measured masses than their relaxed counterparts. This bias depends on cluster mass: the most massive clusters are largely unaffected by the presence of significant substructure, but masses are significantly overestimated for lower mass clusters, by ~ 10 percent at 10 14 and ≳ 20 percent for ≲ 10 13.5. Finally, the use of cluster samples with different levels of substructure can therefore bias certain cosmological parameters up to a level comparable to the typical uncertainties in current cosmological studies.« less

Primordial binary populations in low-density star clusters as seen by Chandra: globular clusters versus old open clusters

NASA Astrophysics Data System (ADS)

van den Berg, Maureen C.

2015-08-01

The binaries in the core of a star cluster are the energy source that prevents the cluster from experiencing core collapse. To model the dynamical evolution of a cluster, it is important to have constraints on the primordial binary content. X-ray observations of old star clusters are very efficient in detecting the close interacting binaries among the cluster members. The X-ray sources in star clusters are a mix of binaries that were dynamically formed and primordial binaries. In massive, dense star clusters, dynamical encounters play an important role in shaping the properties and numbers of the binaries. In contrast, in the low-density clusters the impact of dynamical encounters is presumed to be very small, and the close binaries detected in X-rays represent a primordial population. The lowest density globular clusters have current masses and central densities similar to those of the oldest open clusters in our Milky Way. I will discuss the results of studies with the Chandra X-ray Observatory that have nevertheless revealed a clear dichotomy: far fewer (if any at all) X-ray sources are detected in the central regions of the low-density globular clusters compared to the number of secure cluster members that have been detected in old open clusters (above a limiting X-ray luminosity of typically 4e30 erg/s). The low stellar encounter rates imply that dynamical destruction of binaries can be ignored at present, therefore an explanation must be sought elsewhere. I will discuss several factors that can shed light on the implied differences between the primordial close binary populations in the two types of star clusters.

The method of the gas-dynamic centrifugal compressor stage characteristics recalculation for variable rotor rotational speeds and the rotation angle of inlet guide vanes blades if the kinematic and dynamic similitude conditions are not met

NASA Astrophysics Data System (ADS)

Vanyashov, A. D.; Karabanova, V. V.

2017-08-01

A mathematical description of the method for obtaining gas-dynamic characteristics of a centrifugal compressor stage is proposed, taking into account the control action by varying the rotor speed and the angle of rotation of the guide vanes relative to the "basic" characteristic, if the kinematic and dynamic similitude conditions are not met. The formulas of the correction terms for the non-dimensional coefficients of specific work, consumption and efficiency are obtained. A comparative analysis of the calculated gas-dynamic characteristics of a high-pressure centrifugal stage with experimental data is performed.

Cosolvent effect on the dynamics of water in aqueous binary mixtures

NASA Astrophysics Data System (ADS)

Zhang, Xia; Zhang, Lu; Jin, Tan; Zhang, Qiang; Zhuang, Wei

2018-04-01

Water rotational dynamics in the mixtures of water and amphiphilic molecules, such as acetone and dimethyl sulfoxide (DMSO), measured by femtosecond infrared, often vary non-monotonically as the amphiphilic molecule's molar fraction changes from 0 to 1. Recent study has attributed the non-ideal water rotation with concentration in DMSO-water mixtures to different microscopic hydrophilic-hydrophobic segregation structure in water-rich and water-poor mixtures. Interestingly, the acetone molecule has very similar molecular structure to DMSO, but the extremum of the water rotational time in the DMSO-water mixtures significantly shifts to lower concentration and the rotation of water is much faster than those in acetone-water mixtures. The simulation results here shows that the non-ideal rotational dynamics of water in both mixtures are due to the frame rotation during the interval of hydrogen bond (HB) switchings. A turnover of the frame rotation with concentration takes place as the structure transition of mixture from the hydrogen bond percolation structure to the hydrophobic percolation structure. The weak acetone-water hydrogen bond strengthens the hydrophobic aggregation and accelerates the relaxation of the hydrogen bond, so that the structure transition takes places at lower concentration and the rotation of water is faster in acetone-water mixture than in DMSO-water mixture. A generally microscopic picture on the mixing effect on the water dynamics in binary aqueous mixtures is presented here.

Evaluation of Proteins' Rotational Diffusion Coefficients from Simulations of Their Free Brownian Motion in Volume-Occupied Environments.

PubMed

Długosz, Maciej; Antosiewicz, Jan M

2014-01-14

We have investigated the rotational dynamics of hen egg white lysozyme in monodisperse aqueous solutions of concentrations up to 250 mg/mL, using a rigid-body Brownian dynamics method that accurately accounts for anisotropies of diffusing objects. We have examined the validity of the free diffusion concept in the analysis of computer simulations of volume-occupied molecular solutions. We have found that, when as the only intermolecular interaction, the excluded volume effect is considered, rotational diffusion of molecules adheres to the free diffusion model. Further, we present a method based on the exact (in the case of the free diffusion) analytic forms of autocorrelation functions of particular vectors rigidly attached to diffusing objects, which allows one to obtain from results of molecular simulations the three principal rotational diffusion coefficients characterizing rotational Brownian motion of an arbitrarily shaped rigid particle for an arbitrary concentration of crowders. We have applied this approach to trajectories resulting from Brownian dynamics simulations of hen egg white lysozyme solutions. We show that the apparent anisotropy of proteins' rotational motions increases with an increasing degree of crowding. Finally, we demonstrate that even if the hydrodynamic anisotropy of molecules is neglected and molecules are simulated using their average translational and rotational diffusion coefficients, excluded volume effects still lead to their anisotropic rotational dynamics.

Nemo regulates cell dynamics and represses the expression of miple, a midkine/pleiotrophin cytokine, during ommatidial rotation

PubMed Central

Muñoz-Soriano, Verónica; Ruiz, Carlos; Pérez-Alonso, Manuel; Mlodzik, Marek; Paricio, Nuria

2013-01-01

Ommatidial rotation is one of the most important events for correct patterning of the Drosophila eye. Although several signaling pathways are involved in this process, few genes have been shown to specifically affect it. One of them is nemo (nmo), which encodes a MAP-like protein kinase that regulates the rate of rotation throughout the entire process, and serves as a link between core planar cell polarity (PCP) factors and the E-cadherin–β-catenin complex. To determine more precisely the role of nmo in ommatidial rotation, live-imaging analyses in nmo mutant and wild-type early pupal eye discs were performed. We demonstrate that ommatidial rotation is not a continuous process, and that rotating and non-rotating interommatidial cells are very dynamic. Our in vivo analyses also show that nmo regulates the speed of rotation and is required in cone cells for correct ommatidial rotation, and that these cells as well as interommatidial cells are less dynamic in nmo mutants. Furthermore, microarray analyses of nmo and wild-type larval eye discs led us to identify new genes and signaling pathways related to nmo function during this process. One of them, miple, encodes the Drosophila ortholog of the midkine/pleiotrophin secreted cytokines that are involved in cell migration processes. miple is highly up-regulated in nmo mutant discs. Indeed, phenotypic analyses reveal that miple overexpression leads to ommatidial rotation defects. Genetic interaction assays suggest that miple is signaling through Ptp99A, the Drosophila ortholog of the vertebrate midkine/pleiotrophin PTPζ receptor. Accordingly, we propose that one of the roles of Nmo during ommatial rotation is to repress miple expression, which may in turn affect the dynamics in E-cadherin–β-catenin complexes. PMID:23428616

The electronic structure of vanadium monochloride cation (VCl{sup +}): Tackling the complexities of transition metal species

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

DeYonker, Nathan J., E-mail: ndyonker@memphis.edu; Halfen, DeWayne T.; Ziurys, Lucy M.

Six electronic states (X {sup 4}Σ{sup −}, A {sup 4}Π, B {sup 4}Δ, {sup 2}Φ, {sup 2}Δ, {sup 2}Σ{sup +}) of the vanadium monochloride cation (VCl{sup +}) are described using large basis set coupled cluster theory. For the two lowest quartet states (X {sup 4}Σ{sup −} and A {sup 4}Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T{sub 0}) and spectroscopic constants (r{sub e}, r{sub 0}, B{sub e}, B{sub 0}, D{sup ¯}{sub e}, H{sub e},more » ω{sub e}, v{sub 0}, α{sub e}, ω{sub e}x{sub e}) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X {sup 4}Σ{sup −}), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state ({sup 2}Γ) has a T{sub e} of ∼11 200 cm{sup −1}. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.« less

IMPLICATIONS OF RAPID CORE ROTATION IN RED GIANTS FOR INTERNAL ANGULAR MOMENTUM TRANSPORT IN STARS

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

Tayar, Jamie; Pinsonneault, Marc H., E-mail: tayar.1@osu.edu

2013-09-20

Core rotation rates have been measured for red giant stars using asteroseismology. These data, along with helioseismic measurements and open cluster spin-down studies, provide powerful clues about the nature and timescale for internal angular momentum transport in stars. We focus on two cases: the metal-poor red giant KIC 7341231 ({sup O}tto{sup )} and intermediate-mass core helium burning stars. For both, we examine limiting case studies for angular momentum coupling between cores and envelopes under the assumption of rigid rotation on the main sequence. We discuss the expected pattern of core rotation as a function of mass and radius. In themore » case of Otto, strong post-main-sequence coupling is ruled out and the measured core rotation rate is in the range of 23-33 times the surface value expected from standard spin-down models. The minimum coupling timescale (0.17-0.45 Gyr) is significantly longer than that inferred for young open cluster stars. This implies ineffective internal angular momentum transport in early first ascent giants. By contrast, the core rotation rates of evolved secondary clump stars are found to be consistent with strong coupling given their rapid main-sequence rotation. An extrapolation to the white dwarf regime predicts rotation periods between 330 and 0.0052 days, depending on mass and decoupling time. We identify two key ingredients that explain these features: the presence of a convective core and inefficient angular momentum transport in the presence of larger mean molecular weight gradients. Observational tests that can disentangle these effects are discussed.« less

Spatial methods for deriving crop rotation history

NASA Astrophysics Data System (ADS)

Mueller-Warrant, George W.; Trippe, Kristin M.; Whittaker, Gerald W.; Anderson, Nicole P.; Sullivan, Clare S.

2017-08-01

Benefits of converting 11 years of remote sensing classification data into cropping history of agricultural fields included measuring lengths of rotation cycles and identifying specific sequences of intervening crops grown between final years of old grass seed stands and establishment of new ones. Spatial and non-spatial methods were complementary. Individual-year classification errors were often correctable in spreadsheet-based non-spatial analysis, whereas their presence in spatial data generally led to exclusion of fields from further analysis. Markov-model testing of non-spatial data revealed that year-to-year cropping sequences did not match average frequencies for transitions among crops grown in western Oregon, implying that rotations into new grass seed stands were influenced by growers' desires to achieve specific objectives. Moran's I spatial analysis of length of time between consecutive grass seed stands revealed that clustering of fields was relatively uncommon, with high and low value clusters only accounting for 7.1 and 6.2% of fields.

STELLAR BORON ABUNDANCES NEAR THE MAIN-SEQUENCE TURNOFF OF THE OPEN CLUSTER NGC 3293 AND IMPLICATIONS FOR THE EFFICIENCY OF ROTATIONALLY DRIVEN MIXING IN STELLAR ENVELOPES

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

Proffitt, Charles R.; Lennon, Daniel J.; Langer, Norbert

2016-06-10

Spectra from the Hubble Space Telescope Cosmic Origins Spectrograph and the Space Telescope Imaging Spectrograph covering the B iii resonance line have been obtained for 10 early-B stars near the turnoff of the young Galactic open cluster NGC 3293. This is the first sample of boron abundance determinations in a single, clearly defined population of early-B stars that also covers a substantial range of projected rotational velocities. In most of these stars we detect partial depletion of boron at a level consistent with that expected for rotational mixing in single stars, but inconsistent with expectations for depletion from close binarymore » evolution. However, our results do suggest that the efficiency of rotational mixing is at or slightly below the low end of the range predicted by the available theoretical calculations. The two most luminous targets observed have a very large boron depletion and may be the products of either binary interactions or post-main-sequence evolution.« less

Chirped Pulse Rotational Spectroscopy of a Single THUJONE+WATER Sample

NASA Astrophysics Data System (ADS)

Kisiel, Zbigniew; Perez, Cristobal; Schnell, Melanie

2016-06-01

Rotational spectroscopy of natural products dates over 35 years when six different species including thujone were investigated. Nevertheless, the technique of low-resolution microwave spectroscopy employed therein allowed determination of only a single conformational parameter. Advances in sensitivity and resolution possible with supersonic expansion techniques of rotational spectroscopy made possible much more detailed studies such that, for example, the structures of first camphor, and then of multiple clusters of camphor with water were determined. We revisited the rotational spectrum of the well known thujone molecule by using the chirped pulse spectrometer in Hamburg. The spectrum of a single thujone sample was recorded with an admixture of 18O enriched water and was successively analysed using an array of techniques, including the AUTOFIT program, the AABS package and the STRFIT program. We have, so far, been able to assign rotational transitions of α-thujone, β-thujone, another thujone isomer, fenchone, and several thujone-water clusters in the spectrum of this single sample. Natural abundance molecular populations were sufficient to determine precise heavy atom backbones of thujone and fenchone, and H_218O enrichment delivered water molecule orientations in the hydrated clusters. An overview of these results will be presented. Z.Kisiel, A.C.Legon, JACS 100, 8166 (1978) Z.Kisiel, O.Desyatnyk, E.Białkowska-Jaworska, L.Pszczółkowski, PCCP 5 820 (2003) C.Pérez, A.Krin, A.L.Steber, J.C.López, Z.Kisiel, M.Schnell, J.Phys.Chem.Lett. 7 154 (2016) N.A.Seifert, I.A.Finneran, C.Perez, et al. J.Mol.Spectrosc. 312, 12 (2015) Z.Kisiel, L.Pszczółkowski, B.J.Drouin, et al. J.Mol.Spectrosc. 280, 134 (2012). Z.Kisiel, J.Mol.Spectrosc. 218, 58 (2003)

Robust rotational-velocity-Verlet integration methods.

PubMed

Rozmanov, Dmitri; Kusalik, Peter G

2010-05-01

Two rotational integration algorithms for rigid-body dynamics are proposed in velocity-Verlet formulation. The first method uses quaternion dynamics and was derived from the original rotational leap-frog method by Svanberg [Mol. Phys. 92, 1085 (1997)]; it produces time consistent positions and momenta. The second method is also formulated in terms of quaternions but it is not quaternion specific and can be easily adapted for any other orientational representation. Both the methods are tested extensively and compared to existing rotational integrators. The proposed integrators demonstrated performance at least at the level of previously reported rotational algorithms. The choice of simulation parameters is also discussed.

Robust rotational-velocity-Verlet integration methods

NASA Astrophysics Data System (ADS)

Rozmanov, Dmitri; Kusalik, Peter G.

2010-05-01

Two rotational integration algorithms for rigid-body dynamics are proposed in velocity-Verlet formulation. The first method uses quaternion dynamics and was derived from the original rotational leap-frog method by Svanberg [Mol. Phys. 92, 1085 (1997)]; it produces time consistent positions and momenta. The second method is also formulated in terms of quaternions but it is not quaternion specific and can be easily adapted for any other orientational representation. Both the methods are tested extensively and compared to existing rotational integrators. The proposed integrators demonstrated performance at least at the level of previously reported rotational algorithms. The choice of simulation parameters is also discussed.

Low torque hydrodynamic lip geometry for rotary seals

DOEpatents

Dietle, Lannie L.; Schroeder, John E.

2015-07-21

A hydrodynamically lubricating geometry for the generally circular dynamic sealing lip of rotary seals that are employed to partition a lubricant from an environment. The dynamic sealing lip is provided for establishing compressed sealing engagement with a relatively rotatable surface, and for wedging a film of lubricating fluid into the interface between the dynamic sealing lip and the relatively rotatable surface in response to relative rotation that may occur in the clockwise or the counter-clockwise direction. A wave form incorporating an elongated dimple provides the gradual convergence, efficient impingement angle, and gradual interfacial contact pressure rise that are conducive to efficient hydrodynamic wedging. Skewed elevated contact pressure zones produced by compression edge effects provide for controlled lubricant movement within the dynamic sealing interface between the seal and the relatively rotatable surface, producing enhanced lubrication and low running torque.

Orientational dynamics and dye-DNA interactions in a dye-labeled DNA aptamer.

PubMed

Unruh, Jay R; Gokulrangan, Giridharan; Lushington, G H; Johnson, Carey K; Wilson, George S

2005-05-01

We report the picosecond and nanosecond timescale rotational dynamics of a dye-labeled DNA oligonucleotide or "aptamer" designed to bind specifically to immunoglobulin E. Rotational dynamics in combination with fluorescence lifetime measurements provide information about dye-DNA interactions. Comparison of Texas Red (TR), fluorescein, and tetramethylrhodamine (TAMRA)-labeled aptamers reveals surprising differences with significant implications for biophysical studies employing such conjugates. Time-resolved anisotropy studies demonstrate that the TR- and TAMRA-aptamer anisotropy decays are dominated by the overall rotation of the aptamer, whereas the fluorescein-aptamer anisotropy decay displays a subnanosecond rotational correlation time much shorter than that expected for the overall rotation of the aptamer. Docking and molecular dynamics simulations suggest that the low mobility of TR is a result of binding in the groove of the DNA helix. Additionally, associated anisotropy analysis of the TAMRA-aptamer reveals both quenched and unquenched states that experience significant coupling to the DNA motion. Therefore, quenching of TAMRA by guanosine must depend on the configuration of the dye bound to the DNA. The strong coupling of TR to the rotational dynamics of the DNA aptamer, together with the absence of quenching of its fluorescence by DNA, makes it a good probe of DNA orientational dynamics. The understanding of the nature of dye-DNA interactions provides the basis for the development of bioconjugates optimized for specific biophysical measurements and is important for the sensitivity of anisotropy-based DNA-protein interaction studies employing such conjugates.

Orientational Dynamics and Dye-DNA Interactions in a Dye-Labeled DNA Aptamer

PubMed Central

Unruh, Jay R.; Gokulrangan, Giridharan; Lushington, G. H.; Johnson, Carey K.; Wilson, George S.

2005-01-01

We report the picosecond and nanosecond timescale rotational dynamics of a dye-labeled DNA oligonucleotide or “aptamer” designed to bind specifically to immunoglobulin E. Rotational dynamics in combination with fluorescence lifetime measurements provide information about dye-DNA interactions. Comparison of Texas Red (TR), fluorescein, and tetramethylrhodamine (TAMRA)-labeled aptamers reveals surprising differences with significant implications for biophysical studies employing such conjugates. Time-resolved anisotropy studies demonstrate that the TR- and TAMRA-aptamer anisotropy decays are dominated by the overall rotation of the aptamer, whereas the fluorescein-aptamer anisotropy decay displays a subnanosecond rotational correlation time much shorter than that expected for the overall rotation of the aptamer. Docking and molecular dynamics simulations suggest that the low mobility of TR is a result of binding in the groove of the DNA helix. Additionally, associated anisotropy analysis of the TAMRA-aptamer reveals both quenched and unquenched states that experience significant coupling to the DNA motion. Therefore, quenching of TAMRA by guanosine must depend on the configuration of the dye bound to the DNA. The strong coupling of TR to the rotational dynamics of the DNA aptamer, together with the absence of quenching of its fluorescence by DNA, makes it a good probe of DNA orientational dynamics. The understanding of the nature of dye-DNA interactions provides the basis for the development of bioconjugates optimized for specific biophysical measurements and is important for the sensitivity of anisotropy-based DNA-protein interaction studies employing such conjugates. PMID:15731389

An Overview of the History of Cluster Conferences

NASA Astrophysics Data System (ADS)

Horiuchi, H.

2017-06-01

An overview is given on the historical development of the cluster conference series which started at Bohum in 1969. I start with the discussion of the philosophy of Karl Wildermuth and then I make a review on the main subjects and topics in cluster conferences. Since the cluster dynamics is a main nuclear dynamics together with the mean-field dynamics, we see that development of the cluster conference has been along with the rises of many new subjects in nuclear physics itself. Examples of them include superheavy nuclei, nuclear astrophysics, neutron-rich nuclei, cluster-gas states and ab initio calculations. Finally I discuss that more activities in and attention to cluster physics are seen in recent days.

HIFLUGCS: X-ray luminosity-dynamical mass relation and its implications for mass calibrations with the SPIDERS and 4MOST surveys

NASA Astrophysics Data System (ADS)

Zhang, Yu-Ying; Reiprich, Thomas H.; Schneider, Peter; Clerc, Nicolas; Merloni, Andrea; Schwope, Axel; Borm, Katharina; Andernach, Heinz; Caretta, César A.; Wu, Xiang-Ping

2017-03-01

We present the relation of X-ray luminosity versus dynamical mass for 63 nearby clusters of galaxies in a flux-limited sample, the HIghest X-ray FLUx Galaxy Cluster Sample (HIFLUGCS, consisting of 64 clusters). The luminosity measurements are obtained based on 1.3 Ms of clean XMM-Newton data and ROSAT pointed observations. The masses are estimated using optical spectroscopic redshifts of 13647 cluster galaxies in total. We classify clusters into disturbed and undisturbed based on a combination of the X-ray luminosity concentration and the offset between the brightest cluster galaxy and X-ray flux-weighted center. Given sufficient numbers (I.e., ≥45) of member galaxies when the dynamical masses are computed, the luminosity versus mass relations agree between the disturbed and undisturbed clusters. The cool-core clusters still dominate the scatter in the luminosity versus mass relation even when a core-corrected X-ray luminosity is used, which indicates that the scatter of this scaling relation mainly reflects the structure formation history of the clusters. As shown by the clusters with only few spectroscopically confirmed members, the dynamical masses can be underestimated and thus lead to a biased scaling relation. To investigate the potential of spectroscopic surveys to follow up high-redshift galaxy clusters or groups observed in X-ray surveys for the identifications and mass calibrations, we carried out Monte Carlo resampling of the cluster galaxy redshifts and calibrated the uncertainties of the redshift and dynamical mass estimates when only reduced numbers of galaxy redshifts per cluster are available. The resampling considers the SPIDERS and 4MOST configurations, designed for the follow-up of the eROSITA clusters, and was carried out for each cluster in the sample at the actual cluster redshift as well as at the assigned input cluster redshifts of 0.2, 0.4, 0.6, and 0.8. To follow up very distant clusters or groups, we also carried out the mass calibration based on the resampling with only ten redshifts per cluster, and redshift calibration based on the resampling with only five and ten redshifts per cluster, respectively. Our results demonstrate the power of combining upcoming X-ray and optical spectroscopic surveys for mass calibration of clusters. The scatter in the dynamical mass estimates for the clusters with at least ten members is within 50%.

On the Maximum Mass of Differentially Rotating Neutron Stars

NASA Astrophysics Data System (ADS)

Baumgarte, Thomas W.; Shapiro, Stuart L.; Shibata, Masaru

2000-01-01

We construct relativistic equilibrium models of differentially rotating neutron stars and show that they can support significantly more mass than their nonrotating or uniformly rotating counterparts. We dynamically evolve such ``hypermassive'' models in full general relativity and show that there do exist configurations that are dynamically stable against radial collapse and bar formation. Our results suggest that the remnant of binary neutron star coalescence may be temporarily stabilized by differential rotation, leading to delayed collapse and a delayed gravitational wave burst.

Validating clustering of molecular dynamics simulations using polymer models.

PubMed

Phillips, Joshua L; Colvin, Michael E; Newsam, Shawn

2011-11-14

Molecular dynamics (MD) simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our knowledge, our framework is the first to utilize model polymers to rigorously test the utility of clustering algorithms for studying biopolymers.

Validating clustering of molecular dynamics simulations using polymer models

PubMed Central

2011-01-01

Background Molecular dynamics (MD) simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. Results We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. Conclusions We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our knowledge, our framework is the first to utilize model polymers to rigorously test the utility of clustering algorithms for studying biopolymers. PMID:22082218

Temporal Change of Seismic Earth's Inner Core Phases: Inner Core Differential Rotation Or Temporal Change of Inner Core Surface?

NASA Astrophysics Data System (ADS)

Yao, J.; Tian, D.; Sun, L.; Wen, L.

2017-12-01

Since Song and Richards [1996] first reported seismic evidence for temporal change of PKIKP wave (a compressional wave refracted in the inner core) and proposed inner core differential rotation as its explanation, it has generated enormous interests in the scientific community and the public, and has motivated many studies on the implications of the inner core differential rotation. However, since Wen [2006] reported seismic evidence for temporal change of PKiKP wave (a compressional wave reflected from the inner core boundary) that requires temporal change of inner core surface, both interpretations for the temporal change of inner core phases have existed, i.e., inner core rotation and temporal change of inner core surface. In this study, we discuss the issue of the interpretation of the observed temporal changes of those inner core phases and conclude that inner core differential rotation is not only not required but also in contradiction with three lines of seismic evidence from global repeating earthquakes. Firstly, inner core differential rotation provides an implausible explanation for a disappearing inner core scatterer between a doublet in South Sandwich Islands (SSI), which is located to be beneath northern Brazil based on PKIKP and PKiKP coda waves of the earlier event of the doublet. Secondly, temporal change of PKIKP and its coda waves among a cluster in SSI is inconsistent with the interpretation of inner core differential rotation, with one set of the data requiring inner core rotation and the other requiring non-rotation. Thirdly, it's not reasonable to invoke inner core differential rotation to explain travel time change of PKiKP waves in a very small time scale (several months), which is observed for repeating earthquakes in Middle America subduction zone. On the other hand, temporal change of inner core surface could provide a consistent explanation for all the observed temporal changes of PKIKP and PKiKP and their coda waves. We conclude that the observed temporal changes of the inner core phases are caused by temporal changes of inner core surface. The temporal changes of inner core surface are found to occur in some localized regions within a short time scale (years to months), a phenomenon that should provide important clues to a potentially fundamental change of our understanding of core dynamics.

Taking Measure of the Milky Way

NASA Technical Reports Server (NTRS)

Majewski, Steven R.; Bahcall, John N.; Geisler, Douglas; Gieren, Wolfgang; Grebel, Eva; Grillmair, Carl; Irwin, Michael; Johnston, Kathryn V.; Patterson, Richard J.; Reid, Neill I.

2004-01-01

We intend to use SIM to make definitive measurements of fundamental structural and dynamical parameters of the Milky Way. The important niche in dynamical parameter space afforded by SIM can be exploited to resolve, with unprecedented precision, a number of classical problems of Galactic astronomy. In addition, we have developed new tests of the Galactic mass distribution specifically designed for data with the special properties of SIM products. Our proposed suite of experiments will utilize the SIM Astrometric Grid as well as complementary observations of star clusters and other strategically-selected, distant "test particles" for a definitive characterization of the major components (bulge, disk, halo, satellite system) of the Milky Way. Specifically, our goals will be: 1) The determination of two fundamental parameters that play a central role in virtually every problem in Galactic astronomy, namely (a) the solar distance to the center of the Milky Way, R(sub 0); (b) the solar angular velocity around the Galactic: center, omega(sub 0). 2) The measurement of fundamental dynamical properties of the Milky Way, among them (a) the pattern speed of the central bar (b) the rotation field and velocity-dispersion tensor in the disk (c) the kinematics (mean rotational velocity and velocity dispersion tensor) of the halo as a function of position 3. The definition of the mass distribution of the Galaxy, which is dominated by the presence of dark matter. We intend to measure (a) the relative contribution of the disk and halo to the gravitational potential (b) the local volume and surface mass density of the disk (c) the shape, mass and extent of the dark halo of the Milky Way out to 250 kpc.

The dynamics of plus end polarization and microtubule assembly during Xenopus cortical rotation

PubMed Central

Olson, David J.; Oh, Denise

2015-01-01

The self-organization of dorsally-directed microtubules during cortical rotation in the Xenopus egg is essential for dorsal axis formation. The mechanisms controlling this process have been problematic to analyze, owing to difficulties in visualizing microtubules in living egg. Also, the order of events occurring at the onset of cortical rotation have not been satisfactorily visualized in vivo and have been inferred from staged fixed samples. To address these issues, we have characterized the dynamics of total microtubule and plus end behavior continuously throughout cortical rotation, as well as in oocytes and unfertilized eggs. Here, we show that the nascent microtubule network forms in the cortex but associates with the deep cytoplasm at the start of rotation. Importantly, plus ends remain cortical and become increasingly more numerous and active prior to rotation, with dorsal polarization occurring rapidly after the onset of rotation. Additionally, we show that vegetally localized Trim36 is required to attenuate dynamic plus end growth, suggesting that vegetal factors are needed to locally coordinate growth in the cortex. PMID:25753733

Visual Vestibular Interaction in the Dynamic Visual Acuity Test during Voluntary Head Rotation

NASA Technical Reports Server (NTRS)

Lee, Moo Hoon; Durnford, Simon; Crowley, John; Rupert, Angus

1996-01-01

Although intact vestibular function is essential in maintaining spatial orientation, no good screening tests of vestibular function are available to the aviation community. High frequency voluntary head rotation was selected as a vestibular stimulus to isolate the vestibulo-ocular reflex (VOR) from visual influence. A dynamic visual acuity test that incorporates voluntary head rotation was evaluated as a potential vestibular function screening tool. Twenty-seven normal subjects performed voluntary sinusoidal head rotation at frequencies from 0.7-4.0 Hz under three different visual conditions: visually-enhanced VOR, normal VOR, and visually suppressed VOR. Standardized Baily-Lovie chart letters were presented on a computer monitor in front of the subject, who then was asked to read the letters while rotating his head horizontally. The electro-oculogram and dynamic visual acuity score were recorded and analyzed. There were no significant differences in gain or phase shift among three visual conditions in the frequency range of 2.8 to 4.0 Hz. The dynamic visual acuity score shifted less than 0.3 logMAR at frequencies under 2.0 Hz. The dynamic visual acuity test at frequencies a round 2.0 Hz can be recommended for evaluating vestibular function.

Reliability and Concurrent Validity of Dynamic Rotator Stability Test-A Cross Sectional study.

PubMed

Binoy Mathew, K V; Eapen, Charu; Kumar, P Senthil

2012-01-01

To find intra rater and inter rater reliability of Dynamic Rotator Stability Test (DRST) and to find concurrent validity of Dynamic Rotator Stability Test (DRST) with University of Pennsylvania Shoulder Score (PENN) Scale. 40 subjects of either gender between the age group of 18-70 with painful shoulder conditions of musculoskeletal origin was selected through convenient sampling. Tester 1 and tester 2 administered DRST and PENN scale randomly. In a subgroup of 20 subjects DRST was administered by both the testers to find the inter rater reliability. 180° Standard Universal Goniometer was used to take measurements. For intra-rater reliability, all the test variables were showing highly significant correlation (p=.94 - 1). For inter -rater, with tester 2, test variables like position, ROM, force, direction of abnormal translation, pain during the test, compensatory movement during test were found to be significant (p=.71-1).only some variables of DRST showed significant correlation with PENN scale (P=.320-.450). Dynamic Rotator Stability Test has good intra rater and moderate inter rater reliability. Concurrent validity of Dynamic Rotator Stability Test was found to be poor when compared to PENN Shoulder Score.

Rotational dynamics of coumarin-153 and 4-aminophthalimide in 1-ethyl-3-methylimidazolium alkylsulfate ionic liquids: effect of alkyl chain length on the rotational dynamics.

PubMed

Das, Sudhir Kumar; Sarkar, Moloy

2012-01-12

Rotational dynamics of two neutral organic solutes, coumarin-153 (C-153) and 4-aminophthalimide (AP), with only the latter having hydrogen-bond-donating ability, has been investigated in a series of 1-ethyl-3-methylimidazolium alkyl sulfate ionic liquids as a function of temperature. The ionic liquids differ only in the length of the linear alkyl side chain (alkyl = ethyl, butyl, hexyl, and octyl) on the anionic moiety. The present study has been undertaken to examine the role of alkyl side chains on the rotational dynamics of the two solutes in these ionic liquids. Analysis of the results using Stokes-Einstein-Debye hydrodynamic theory indicates that the rotational dynamics of C-153 lies between the stick and slip boundary condition in the ethyl analogue and finally reaches subslip condition as in case of the octyl substituent. The observed rotational behavior of C-153 has been explained on the basis of an increase in the size of the solvent, which offers lower friction for solute rotation. On the other hand, AP shows superstick behavior in the ethyl system and exceeds the stick limit in the octyl derivative. Superstick behavior of AP has been attributed to the specific hydrogen-bonding interaction between AP and the sulfate moiety. Proton NMR investigation confirms the hydrogen-bonding interaction between the N-H hydrogen of AP and the ionic liquid. The decrease in rotational coupling constant values for AP with increasing length of alkyl side chains has been attributed to the decrease in the solute-solvent-specific interaction with an increase in the alkyl side chain length on the sulfate moiety.

Feasibility of using PZT actuators to study the dynamic behavior of a rotating disk due to rotor-stator interaction.

PubMed

Presas, Alexandre; Egusquiza, Eduard; Valero, Carme; Valentin, David; Seidel, Ulrich

2014-07-07

In this paper, PZT actuators are used to study the dynamic behavior of a rotating disk structure due to rotor-stator interaction excitation. The disk is studied with two different surrounding fluids-air and water. The study has been performed analytically and validated experimentally. For the theoretical analysis, the natural frequencies and the associated mode shapes of the rotating disk in air and water are obtained with the Kirchhoff-Love thin plate theory coupled with the interaction with the surrounding fluid. A model for the Rotor Stator Interaction that occurs in many rotating disk-like parts of turbomachinery such as compressors, hydraulic runners or alternators is presented. The dynamic behavior of the rotating disk due to this excitation is deduced. For the experimental analysis a test rig has been developed. It consists of a stainless steel disk (r = 198 mm and h = 8 mm) connected to a variable speed motor. Excitation and response are measured from the rotating system. For the rotating excitation four piezoelectric patches have been used. Calibrating the piezoelectric patches in amplitude and phase, different rotating excitation patterns are applied on the rotating disk in air and in water. Results show the feasibility of using PZT to control the response of the disk due to a rotor-stator interaction.

Exploratory Bifactor Analysis: The Schmid-Leiman Orthogonalization and Jennrich-Bentler Analytic Rotations

PubMed Central

Mansolf, Maxwell; Reise, Steven P.

2017-01-01

Analytic bifactor rotations (Jennrich & Bentler, 2011, 2012) have been recently developed and made generally available, but are not well understood. The Jennrich-Bentler analytic bifactor rotations (bi-quartimin and bi-geomin) are an alternative to, and arguably an improvement upon, the less technically sophisticated Schmid-Leiman orthogonalization (Schmid & Leiman, 1957). We review the technical details that underlie the Schmid-Leiman and Jennrich-Bentler bifactor rotations, using simulated data structures to illustrate important features and limitations. For the Schmid-Leiman, we review the problem of inaccurate parameter estimates caused by the linear dependencies, sometimes called “proportionality constraints,” that are required to expand a p correlated factors solution into a (p+1) (bi)factor space. We also review the complexities involved when the data depart from perfect cluster structure (e.g., item cross-loading on group factors). For the Jennrich-Bentler rotations, we describe problems in parameter estimation caused by departures from perfect cluster structure. In addition, we illustrate the related problems of: (a) solutions that are not invariant under different starting values (i.e., local minima problems); and, (b) group factors collapsing onto the general factor. Recommendations are made for substantive researchers including examining all local minima and applying multiple exploratory techniques in an effort to identify an accurate model. PMID:27612521

A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex.

PubMed

Gonzalez, Megan E; Eckert, Juergen; Aquino, Adelia J A; Poirier, Bill

2018-04-21

Progress in the hydrogen fuel field requires a clear understanding and characterization of how materials of interest interact with hydrogen. Due to the inherently quantum mechanical nature of hydrogen nuclei, any theoretical studies of these systems must be treated quantum dynamically. One class of material that has been examined in this context are dihydrogen complexes. Since their discovery by Kubas in 1984, many such complexes have been studied both experimentally and theoretically. This particular study examines the rotational dynamics of the dihydrogen ligand in the Fe(H) 2 (H 2 )(PEtPh 2 ) 3 complex, allowing for full motion in both the rotational degrees of freedom and treating the quantum dynamics (QD) explicitly. A "gas-phase" global potential energy surface is first constructed using density functional theory with the Becke, 3-parameter, Lee-Yang-Parr functional; this is followed by an exact QD calculation of the corresponding rotation/libration states. The results provide insight into the dynamical correlation of the two rotation angles as well as a comprehensive analysis of both ground- and excited-state librational tunneling splittings. The latter was computed to be 6.914 cm -1 -in excellent agreement with the experimental value of 6.4 cm -1 . This work represents the first full-dimensional ab initio exact QD calculation ever performed for dihydrogen ligand rotation in a coordination complex.

A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex

NASA Astrophysics Data System (ADS)

Gonzalez, Megan E.; Eckert, Juergen; Aquino, Adelia J. A.; Poirier, Bill

2018-04-01

Progress in the hydrogen fuel field requires a clear understanding and characterization of how materials of interest interact with hydrogen. Due to the inherently quantum mechanical nature of hydrogen nuclei, any theoretical studies of these systems must be treated quantum dynamically. One class of material that has been examined in this context are dihydrogen complexes. Since their discovery by Kubas in 1984, many such complexes have been studied both experimentally and theoretically. This particular study examines the rotational dynamics of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 complex, allowing for full motion in both the rotational degrees of freedom and treating the quantum dynamics (QD) explicitly. A "gas-phase" global potential energy surface is first constructed using density functional theory with the Becke, 3-parameter, Lee-Yang-Parr functional; this is followed by an exact QD calculation of the corresponding rotation/libration states. The results provide insight into the dynamical correlation of the two rotation angles as well as a comprehensive analysis of both ground- and excited-state librational tunneling splittings. The latter was computed to be 6.914 cm-1—in excellent agreement with the experimental value of 6.4 cm-1. This work represents the first full-dimensional ab initio exact QD calculation ever performed for dihydrogen ligand rotation in a coordination complex.

CLUSFAVOR 5.0: hierarchical cluster and principal-component analysis of microarray-based transcriptional profiles

PubMed Central

Peterson, Leif E

2002-01-01

CLUSFAVOR (CLUSter and Factor Analysis with Varimax Orthogonal Rotation) 5.0 is a Windows-based computer program for hierarchical cluster and principal-component analysis of microarray-based transcriptional profiles. CLUSFAVOR 5.0 standardizes input data; sorts data according to gene-specific coefficient of variation, standard deviation, average and total expression, and Shannon entropy; performs hierarchical cluster analysis using nearest-neighbor, unweighted pair-group method using arithmetic averages (UPGMA), or furthest-neighbor joining methods, and Euclidean, correlation, or jack-knife distances; and performs principal-component analysis. PMID:12184816

Rotation and activity among solar-type stars of the Ursa Major Group

NASA Technical Reports Server (NTRS)

Soderblom, David R.; Mayor, Michel

1993-01-01

We examine rotation and chromospheric activity among G and K dwarfs recently shown to be members of the Ursa Major Group (UMaG). Rotation periods for UMaG stars are smaller than for stars of the same colors in the Hyades, and by an amount corresponding to the Skumanich relation. Most UMaG stars have about the same level of Ca II and K emission, implying that they also have nearly uniform intrinsic rotation rates. That means that the diversity of rotation rates and levels of activity seen among solar-type stars in the Alpha Persei and Pleiades clusters has largely converged by the age of UMaG (0.3 Gyr).

Multiple stellar populations in Magellanic Cloud clusters - III. The first evidence of an extended main sequence turn-off in a young cluster: NGC 1856

NASA Astrophysics Data System (ADS)

Milone, A. P.; Bedin, L. R.; Piotto, G.; Marino, A. F.; Cassisi, S.; Bellini, A.; Jerjen, H.; Pietrinferni, A.; Aparicio, A.; Rich, R. M.

2015-07-01

Recent studies have shown that the extended main-sequence turn-off (eMSTO) is a common feature of intermediate-age star clusters in the Magellanic Clouds (MCs). The most simple explanation is that these stellar systems harbour multiple generations of stars with an age difference of a few hundred million years. However, while an eMSTO has been detected in a large number of clusters with ages between ˜1-2 Gyr, several studies of young clusters in both MCs and in nearby galaxies do not find any evidence for a prolonged star formation history, i. e. for multiple stellar generations. These results have suggested alternative interpretation of the eMSTOs observed in intermediate-age star clusters. The eMSTO could be due to stellar rotation mimicking an age spread or to interacting binaries. In these scenarios, intermediate-age MC clusters would be simple stellar populations, in close analogy with younger clusters. Here, we provide the first evidence for an eMSTO in a young stellar cluster. We exploit multiband Hubble Space Telescope photometry to study the ˜300-Myr old star cluster NGC 1856 in the Large Magellanic Cloud and detected a broadened MSTO that is consistent with a prolonged star formation which had a duration of about 150 Myr. Below the turn-off, the main sequence (MS) of NGC 1856 is split into a red and blue component, hosting 33 ± 5 and 67 ± 5 per cent of the total number of MS stars, respectively. We discuss these findings in the context of multiple-stellar-generation, stellar-rotation, and interacting-binary hypotheses.

Differential dynamic microscopy of weakly scattering and polydisperse protein-rich clusters

NASA Astrophysics Data System (ADS)

Safari, Mohammad S.; Vorontsova, Maria A.; Poling-Skutvik, Ryan; Vekilov, Peter G.; Conrad, Jacinta C.

2015-10-01

Nanoparticle dynamics impact a wide range of biological transport processes and applications in nanomedicine and natural resource engineering. Differential dynamic microscopy (DDM) was recently developed to quantify the dynamics of submicron particles in solutions from fluctuations of intensity in optical micrographs. Differential dynamic microscopy is well established for monodisperse particle populations, but has not been applied to solutions containing weakly scattering polydisperse biological nanoparticles. Here we use bright-field DDM (BDDM) to measure the dynamics of protein-rich liquid clusters, whose size ranges from tens to hundreds of nanometers and whose total volume fraction is less than 10-5. With solutions of two proteins, hemoglobin A and lysozyme, we evaluate the cluster diffusion coefficients from the dependence of the diffusive relaxation time on the scattering wave vector. We establish that for weakly scattering populations, an optimal thickness of the sample chamber exists at which the BDDM signal is maximized at the smallest sample volume. The average cluster diffusion coefficient measured using BDDM is consistently lower than that obtained from dynamic light scattering at a scattering angle of 90∘. This apparent discrepancy is due to Mie scattering from the polydisperse cluster population, in which larger clusters preferentially scatter more light in the forward direction.

The Origin of Dwarf Early-Type Galaxies

NASA Astrophysics Data System (ADS)

Toloba, Elisa

2012-10-01

Abridge. We have conducted a spectrophotometric study of dwarf early-type galaxies (dEs) in the Virgo cluster and in regions of lower density. We have found that these galaxies show many properties in common with late-type galaxies but not with more massive early-types (E/S0). The properties of the dEs in Virgo show gradients within the cluster. dEs in the outer parts of the Virgo cluster are kinematically supported by rotation, while those in the center are supported by the random motions of their stars (i.e. pressure supported). The rotationally supported dEs have disky isophotes and faint underlying spiral/irregular substructures, they also show younger ages than those pressure supported, which have boxy isophotes and are smooth and regular, without any substructure. We compare the position of these dEs with massive early-type galaxies in the Faber-Jackson and Fundamental Plane relations, and we find that, although there is no difference between the position of rotationally and pressure supported dEs, both deviate from the relations of massive early-type galaxies in the direction of dwarf spheroidal systems (dSphs). We have used their offset with respect to the Fundamental Plane of E/S0 galaxies to estimate their dark matter fraction. All the properties studied in this work agree with a ram pressure stripping scenario, where late-type galaxies infall into the cluster, their interaction with the intergalactic medium blows away their gas and, as a result, they are quenched in a small amount of time. However, those dEs in the center of the cluster seem to have been fully transformed leaving no trace of their possible spiral origin, thus, if that is the case, they must have experienced a more violent mechanism in combination with ram pressure stripping.

Rotational Brownian Dynamics simulations of clathrin cage formation

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

Ilie, Ioana M.; Briels, Wim J.; MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede

2014-08-14

The self-assembly of nearly rigid proteins into ordered aggregates is well suited for modeling by the patchy particle approach. Patchy particles are traditionally simulated using Monte Carlo methods, to study the phase diagram, while Brownian Dynamics simulations would reveal insights into the assembly dynamics. However, Brownian Dynamics of rotating anisotropic particles gives rise to a number of complications not encountered in translational Brownian Dynamics. We thoroughly test the Rotational Brownian Dynamics scheme proposed by Naess and Elsgaeter [Macromol. Theory Simul. 13, 419 (2004); Naess and Elsgaeter Macromol. Theory Simul. 14, 300 (2005)], confirming its validity. We then apply the algorithmmore » to simulate a patchy particle model of clathrin, a three-legged protein involved in vesicle production from lipid membranes during endocytosis. Using this algorithm we recover time scales for cage assembly comparable to those from experiments. We also briefly discuss the undulatory dynamics of the polyhedral cage.« less

Visual/infrared interferometry of Orion Trapezium stars: preliminary dynamical orbit and aperture synthesis imaging of the θ1 Orionis C system

NASA Astrophysics Data System (ADS)

Kraus, S.; Balega, Y. Y.; Berger, J.-P.; Hofmann, K.-H.; Millan-Gabet, R.; Monnier, J. D.; Ohnaka, K.; Pedretti, E.; Preibisch, Th.; Schertl, D.; Schloerb, F. P.; Traub, W. A.; Weigelt, G.

2007-05-01

Context: Located in the Orion Trapezium cluster, θ^1Ori C is one of the youngest and nearest high-mass stars (O5-O7) known. Besides its unique properties as a magnetic rotator, the system is also known to be a close binary. Aims: By tracing its orbital motion, we aim to determine the orbit and dynamical mass of the system, yielding a characterization of the individual components and, ultimately, also new constraints for stellar evolution models in the high-mass regime. Furthermore, a dynamical parallax can be derived from the orbit, providing an independent estimate for the distance of the Trapezium cluster. Methods: Using new multi-epoch visual and near-infrared bispectrum speckle interferometric observations obtained at the BTA 6 m telescope, and IOTA near-infrared long-baseline interferometry, we traced the orbital motion of the θ^1Ori C components over the interval 1997.8 to 2005.9, covering a significant arc of the orbit. Besides fitting the relative position and the flux ratio, we applied aperture synthesis techniques to our IOTA data to reconstruct a model-independent image of the θ^1Ori C binary system. Results: The orbital solutions suggest a highly eccentricity (e≈0.91) and short-period (P≈10.9 yrs) orbit. As the current astrometric data only allows rather weak constraints on the total dynamical mass, we present the two best-fit orbits. Of these two, the one implying a system mass of 48 M⊙ and a distance of 434 pc to the Trapezium cluster can be favored. When also taking the measured flux ratio and the derived location in the HR-diagram into account, we find good agreement for all observables, assuming a spectral type of O5.5 for θ^1Ori C1 (M = 34.0 M⊙, T_eff = 39 900 K) and O9.5 for C2 (M = 15.5 M⊙, T_eff = 31 900 K). Using IOTA, we also obtained first interferometric observations on θ^1Ori D, finding some evidence for a resolved structure, maybe by a faint, close companion. Conclusions: We find indications that the companion C2 is massive itself, which makes it likely that its contribution to the intense UV radiation field of the Trapezium cluster is non-negligible. Furthermore, the high eccentricity of the preliminary orbit solution predicts a very small physical separation during periastron passage (˜1.5 AU, next passage around 2007.5), suggesting strong wind-wind interaction between the two O stars.

Nonlinear dynamics of mini-satellite respinup by weak internal controllable torques

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

Somov, Yevgeny, E-mail: e-somov@mail.ru

Contemporary space engineering advanced new problem before theoretical mechanics and motion control theory: a spacecraft directed respinup by the weak restricted control internal forces. The paper presents some results on this problem, which is very actual for energy supply of information mini-satellites (for communication, geodesy, radio- and opto-electronic observation of the Earth et al.) with electro-reaction plasma thrusters and gyro moment cluster based on the reaction wheels or the control moment gyros. The solution achieved is based on the methods for synthesis of nonlinear robust control and on rigorous analytical proof for the required spacecraft rotation stability by Lyapunov functionmore » method. These results were verified by a computer simulation of strongly nonlinear oscillatory processes at respinuping of a flexible spacecraft.« less

Tricosane (C23H48) and Octacosane (C28H58) mixture phase transition insight via Light scattering techniques

NASA Astrophysics Data System (ADS)

Kuryakov, V. N.; De Sanctis Lucentini, P. G.; Ivanova, D. D.

2018-04-01

In this study we analyse several emulsion samples of pure Tricosane (C23H48) and Octacosane (C28H58) paraffins as well as their mixtures with different component concentrations, prepared by means of ultrasonic dispersion without the addition of surfactants. We show that from the measurements of Static Light Scattering temperature dependences it is possible to determine the phase transition temperatures of the paraffins emulsion during the heating and cooling cycles (melting, crystallization and rotator phases). The results for the pure paraffin are in good agreement with the literature data. We produce the outcomes of the Dynamic Light Scattering technique to determine the cluster size of the obtained emulsions (radius 70-120 nm). Those emulsions proved to remain stable during several months.

Covalently Interlocked Cyclohexa-m-phenylenes and Their Assembly: En Route to Supramolecular 3D Carbon Nanostructures.

PubMed

Dumslaff, Bastian; Reuss, Anna N; Wagner, Manfred; Feng, Xinliang; Narita, Akimitsu; Fytas, George; Müllen, Klaus

2017-08-21

In our search to cluster as many phenylene units as possible in a given space, we have proceeded to the three-dimensional world of benzene-based molecules by employing covalently interlocked cyclohexa-m-phenylenes, as present in the unique paddlewheel-shaped polyphenylene 10. A precursor was conceived, in which freely rotating m-chlorophenylene units provide sufficient solubility along with the necessary proximity for the final ring closure to give 10. Monitoring the assembly of solubilized tert-butyl derivatives of 10 into supramolecular carbon nanostructures by dynamic light scattering (DLS) and Brillouin light scattering (BLS) revealed the dimensions of the initially formed aggregates as well as the amorphous character of the solid state. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Clustering effects in ionic polymers: Molecular dynamics simulations.

PubMed

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S

2015-08-01

Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. These ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing the electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Decrease in electrostatic interaction significantly enhances the mobility of the polymer.

Cluster growth mechanisms in Lennard-Jones fluids: A comparison between molecular dynamics and Brownian dynamics simulations

NASA Astrophysics Data System (ADS)

Jung, Jiyun; Lee, Jumin; Kim, Jun Soo

2015-03-01

We present a simulation study on the mechanisms of a phase separation in dilute fluids of Lennard-Jones (LJ) particles as a model of self-interacting molecules. Molecular dynamics (MD) and Brownian dynamics (BD) simulations of the LJ fluids are employed to model the condensation of a liquid droplet in the vapor phase and the mesoscopic aggregation in the solution phase, respectively. With emphasis on the cluster growth at late times well beyond the nucleation stage, we find that the growth mechanisms can be qualitatively different: cluster diffusion and coalescence in the MD simulations and Ostwald ripening in the BD simulations. We also show that the rates of the cluster growth have distinct scaling behaviors during cluster growth. This work suggests that in the solution phase the random Brownian nature of the solute dynamics may lead to the Ostwald ripening that is qualitatively different from the cluster coalescence in the vapor phase.

Dynamic Simulation of Random Packing of Polydispersive Fine Particles

NASA Astrophysics Data System (ADS)

Ferraz, Carlos Handrey Araujo; Marques, Samuel Apolinário

2018-02-01

In this paper, we perform molecular dynamic (MD) simulations to study the two-dimensional packing process of both monosized and random size particles with radii ranging from 1.0 to 7.0 μm. The initial positions as well as the radii of five thousand fine particles were defined inside a rectangular box by using a random number generator. Both the translational and rotational movements of each particle were considered in the simulations. In order to deal with interacting fine particles, we take into account both the contact forces and the long-range dispersive forces. We account for normal and static/sliding tangential friction forces between particles and between particle and wall by means of a linear model approach, while the long-range dispersive forces are computed by using a Lennard-Jones-like potential. The packing processes were studied assuming different long-range interaction strengths. We carry out statistical calculations of the different quantities studied such as packing density, mean coordination number, kinetic energy, and radial distribution function as the system evolves over time. We find that the long-range dispersive forces can strongly influence the packing process dynamics as they might form large particle clusters, depending on the intensity of the long-range interaction strength.

Effect of difference of cupula and endolymph densities on the dynamics of semicircular canal.

PubMed

Kondrachuk, A V; Sirenko, S P; Boyle, R

2008-01-01

The effect of different densities of a cupula and endolymph on the dynamics of the semicircular canals is considered within the framework of a simplified one-dimensional mathematical model where the canal is approximated by a torus. If the densities are equal, the model is represented by Steinhausen's phenomenological equation. The difference of densities results in the complex dynamics of the cupulo-endolymphatic system, and leads to a dependence on the orientation of both the gravity vector relative to the canal plane and the axis of rotation, as well as on the distance between the axis of rotation and the center of the semicircular canal. Our analysis focused on two cases of canal stimulation: rotation with a constant velocity and a time-dependent (harmonically oscillating) angular velocity. Two types of spatial orientation of the axis of rotation, the axis of canal symmetry, and the vector of gravity were considered: i) the gravity vector and axis of rotation lie in the canal plane, and ii) the axis of rotation and gravity vector are normal to the canal plane. The difference of the cupula and endolymph densities reveals new features of cupula dynamics, for instance--a shift of the cupula to a new position of equilibrium that depends on the gravity vector and the parameters of head rotation, and the onset of cupula oscillations with multiple frequencies that results in the distortion of cupula dynamics relative to harmonic stimulation. Factors that might influence the density difference effects and the conditions under which these effects occur are discussed.

Black hole Brownian motion in a rotating environment

NASA Astrophysics Data System (ADS)

Lingam, Manasvi

2018-01-01

A Langevin equation is set up to model the dynamics of a supermassive black hole (massive particle) in a rotating environment (of light particles), typically the inner region of the galaxy, under the influence of dynamical friction, gravity and stochastic forces. The formal solution is derived, and the displacement and velocity two-point correlation functions are computed. The correlators perpendicular to the axis of rotation are equal to one another and different from those parallel to the axis. By computing this difference, it is suggested that one can, perhaps, observationally determine the magnitude of the rotation. In the case with sufficiently fast rotation, it is suggested that this model can lead to an ejection. If either one of dynamical friction and Eddington accretion is included, it is shown that a near-identical Langevin equation follows, allowing us to treat the two cases in a unified manner. The limitations of the model are also presented and compared against previous results.

Behaviour of Rotating Bose Einstein Condensates Under Shrinking

NASA Astrophysics Data System (ADS)

Zhai, Hui; Zhou, Qi

2005-01-01

When the repulsive interaction strength between atoms decreases, the size of a rotating Bose-Einstein condensate will consequently shrink. We find that the rotational frequency will increase during the shrinking of condensate, which is a quantum mechanical analogy to ballet dancing. Compared to a non-rotating condensate, the size of a rotating BEC will eventually be saturated at a finite value when the interaction strength is gradually reduced. We also calculate the vortex dynamics induced by the atomic current, and discuss the difference of vortex dynamics in this case and that observed in a recent experiment carried out by the JILA group [Phys. Rev. Lett. 90 (2003) 170405].

Gravity Probe-B Spacecraft attitude control based on the dynamics of slosh wave-induced fluid stress distribution on rotating dewar container of cryogenic propellant

NASA Technical Reports Server (NTRS)

Hung, R. J.; Lee, C. C.; Leslie, F. W.

1991-01-01

The dynamical behavior of fluids, in particular the effect of surface tension on partially-filled rotating fluids, in a full-scale Gravity Probe-B Spacecraft propellant dewar tank imposed by various frequencies of gravity jitters have been investigated. Results show that fluid stress distribution exerted on the outer and inner walls of rotating dewar are closely related to the characteristics of slosh waves excited on the liquid-vapor interface in the rotating dewar tank. This can provide a set of tool for the spacecraft dynamic control leading toward the control of spacecraft unbalance caused by the uneven fluid stress distribution due to slosh wave excitations.

Steadily oscillating axial bands of binary granules in a nearly filled coaxial cylinder.

PubMed

Inagaki, Shio; Ebata, Hiroyuki; Yoshikawa, Kenichi

2015-01-01

Granular materials often segregate under mechanical agitation such as flowing, shaking, or rotating, in contrast to an expectation of mixing. It is well known that bidisperse mixtures of granular materials in a partially filled rotating cylinder exhibit monotonic coarsening dynamics of segregation. Here we report the steady oscillation of segregated axial bands under the stationary rotation of a nearly filled coaxial cylinder for O(10(3)) revolutions. The axial bands demonstrate steady back-and-forth motion along the axis of rotation. Experimental findings indicated that these axial band dynamics are driven by global convection throughout the system. The essential features of the spatiotemporal dynamics are reproduced with a simple phenomenological equation that incorporates the effect of global convection.

The origin of dwarf early-type galaxies

NASA Astrophysics Data System (ADS)

Toloba, E.

2013-05-01

We have conducted a spectrophotometric study of dwarf early-type galaxies (dEs) in the Virgo cluster and in regions of lower density. We have found that these galaxies show many properties in common with late-type galaxies but not with more massive early-types (E/S0). The properties of the dEs in Virgo show gradients within the cluster. dEs in the outer parts of the Virgo cluster are kinematically supported by rotation, while those in the center are supported by the random motions of their stars (i.e. pressure supported). The rotationally supported dEs have disky isophotes and faint underlying spiral/irregular substructures, they also show younger ages than those pressure supported, which have boxy isophotes and are smooth and regular, without any substructure. We compare the position of these dEs with massive early-type galaxies in the Faber-Jackson and Fundamental Plane relations, and we find that, although there is no difference between the position of rotationally and pressure supported dEs, both deviate from the relations of massive early-type galaxies in the direction of dwarf spheroidal systems (dSphs). We have used their offset with respect to the Fundamental Plane of E/S0 galaxies to estimate their dark matter fraction. All the properties studied in this work agree with a ram pressure stripping scenario, where late-type galaxies infall into the cluster, their interaction with the intergalactic medium blows away their gas and, as a result, they are quenched in a small amount of time. However, those dEs in the center of the cluster seem to have been fully transformed leaving no trace of their possible spiral origin, thus, if that is the case, they must have experienced a more violent mechanism in combination with ram pressure stripping, the open problem is that even galaxy harassment does not fully explain the observed properties for the pressure supported dEs in the center of the Virgo cluster.

Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

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

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2015-07-01

Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025more » and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.« less

The SLUGGS survey: globular cluster kinematics in a `double sigma' galaxy - NGC 4473

NASA Astrophysics Data System (ADS)

Alabi, Adebusola B.; Foster, Caroline; Forbes, Duncan A.; Romanowsky, Aaron J.; Pastorello, Nicola; Brodie, Jean P.; Spitler, Lee R.; Strader, Jay; Usher, Christopher

2015-09-01

NGC 4473 is a so-called double sigma (2σ) galaxy, i.e. a galaxy with rare, double peaks in its 2D stellar velocity dispersion. Here, we present the globular cluster (GC) kinematics in NGC 4473 out to ˜10Re (effective radii) using data from combined Hubble Space Telescope/Advanced Camera for Surveys and Subaru/Suprime-Cam imaging and Keck/Deep Imaging Multi-Object Spectrograph. We find that the 2σ nature of NGC 4473 persists up to 3Re, though it becomes misaligned to the photometric major axis. We also observe a significant offset between the stellar and GC rotation amplitudes. This offset can be understood as a co-addition of counter-rotating stars producing little net stellar rotation. We identify a sharp radial transition in the GC kinematics at ˜4Re suggesting a well defined kinematically distinct halo. In the inner region (<4Re), the blue GCs rotate along the photometric major axis, but in an opposite direction to the galaxy stars and red GCs. In the outer region (>4Re), the red GCs rotate in an opposite direction compared to the inner region red GCs, along the photometric major axis, while the blue GCs rotate along an axis intermediate between the major and minor photometric axes. We also find a kinematically distinct population of very red GCs in the inner region with elevated rotation amplitude and velocity dispersion. The multiple kinematic components in NGC 4473 highlight the complex formation and evolutionary history of this 2σ galaxy, as well as a distinct transition between the inner and outer components.

Dynamic fractionation of trace metals in soil and sediment samples using rotating coiled column extraction and sequential injection microcolumn extraction: a comparative study.

PubMed

Rosende, Maria; Savonina, Elena Yu; Fedotov, Petr S; Miró, Manuel; Cerdà, Víctor; Wennrich, Rainer

2009-09-15

Dynamic fractionation has been recognized as an appealing alternative to conventional equilibrium-based sequential extraction procedures (SEPs) for partitioning of trace elements (TE) in environmental solid samples. This paper reports the first attempt for harmonization of flow-through dynamic fractionation using two novel methods, the so-called sequential injection microcolumn (SIMC) extraction and rotating coiled column (RCC) extraction. In SIMC extraction, a column packed with the solid sample is clustered in a sequential injection system, while in RCC, the particulate matter is retained under the action of centrifugal forces. In both methods, the leachants are continuously pumped through the solid substrates by the use of either peristaltic or syringe pumps. A five-step SEP was selected for partitioning of Cu, Pb and Zn in water soluble/exchangeable, acid-soluble, easily reducible, easily oxidizable and moderately reducible fractions from 0.2 to 0.5 g samples at an extractant flow rate of 1.0 mL min(-1) prior to leachate analysis by inductively coupled plasma-atomic emission spectrometry. Similarities and discrepancies between both dynamic approaches were ascertained by fractionation of TE in certified reference materials, namely, SRM 2711 Montana Soil and GBW 07311 sediment, and two real soil samples as well. Notwithstanding the different extraction conditions set by both methods, similar trends of metal distribution were in generally found. The most critical parameters for reliable assessment of mobilizable pools of TE in worse-case scenarios are the size-distribution of sample particles, the density of particles, the content of organic matter and the concentration of major elements. For reference materials and a soil rich in organic matter, the extraction in RCC results in slightly higher recoveries of environmentally relevant fractions of TE, whereas SIMC leaching is more effective for calcareous soils.

Decoupling of rotational and translational diffusion in supercooled colloidal fluids

PubMed Central

Edmond, Kazem V.; Elsesser, Mark T.; Hunter, Gary L.; Pine, David J.; Weeks, Eric R.

2012-01-01

We use confocal microscopy to directly observe 3D translational and rotational diffusion of tetrahedral clusters, which serve as tracers in colloidal supercooled fluids. We find that as the colloidal glass transition is approached, translational and rotational diffusion decouple from each other: Rotational diffusion remains inversely proportional to the growing viscosity whereas translational diffusion does not, decreasing by a much lesser extent. We quantify the rotational motion with two distinct methods, finding agreement between these methods, in contrast with recent simulation results. The decoupling coincides with the emergence of non-Gaussian displacement distributions for translation whereas rotational displacement distributions remain Gaussian. Ultimately, our work demonstrates that as the glass transition is approached, the sample can no longer be approximated as a continuum fluid when considering diffusion. PMID:23071311

Density-based clustering of small peptide conformations sampled from a molecular dynamics simulation.

PubMed

Kim, Minkyoung; Choi, Seung-Hoon; Kim, Junhyoung; Choi, Kihang; Shin, Jae-Min; Kang, Sang-Kee; Choi, Yun-Jaie; Jung, Dong Hyun

2009-11-01

This study describes the application of a density-based algorithm to clustering small peptide conformations after a molecular dynamics simulation. We propose a clustering method for small peptide conformations that enables adjacent clusters to be separated more clearly on the basis of neighbor density. Neighbor density means the number of neighboring conformations, so if a conformation has too few neighboring conformations, then it is considered as noise or an outlier and is excluded from the list of cluster members. With this approach, we can easily identify clusters in which the members are densely crowded in the conformational space, and we can safely avoid misclustering individual clusters linked by noise or outliers. Consideration of neighbor density significantly improves the efficiency of clustering of small peptide conformations sampled from molecular dynamics simulations and can be used for predicting peptide structures.

Lifetime of Major Histocompatibility Complex Class-I Membrane Clusters Is Controlled by the Actin Cytoskeleton

PubMed Central

Lavi, Yael; Gov, Nir; Edidin, Michael; Gheber, Levi A.

2012-01-01

Lateral heterogeneity of cell membranes has been demonstrated in numerous studies showing anomalous diffusion of membrane proteins; it has been explained by models and experiments suggesting dynamic barriers to free diffusion, that temporarily confine membrane proteins into microscopic patches. This picture, however, comes short of explaining a steady-state patchy distribution of proteins, in face of the transient opening of the barriers. In our previous work we directly imaged persistent clusters of MHC-I, a type I transmembrane protein, and proposed a model of a dynamic equilibrium between proteins newly delivered to the cell surface by vesicle traffic, temporary confinement by dynamic barriers to lateral diffusion, and dispersion of the clusters by diffusion over the dynamic barriers. Our model predicted that the clusters are dynamic, appearing when an exocytic vesicle fuses with the plasma membrane and dispersing with a typical lifetime that depends on lateral diffusion and the dynamics of barriers. In a subsequent work, we showed this to be the case. Here we test another prediction of the model, and show that changing the stability of actin barriers to lateral diffusion changes cluster lifetimes. We also develop a model for the distribution of cluster lifetimes, consistent with the function of barriers to lateral diffusion in maintaining MHC-I clusters. PMID:22500754

Relaxation dynamics in a binary hard-ellipse liquid.

PubMed

Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia

2015-01-21

Structural relaxation in binary hard spherical particles has been shown recently to exhibit a wealth of remarkable features when size disparity or mixture composition is varied. In this paper, we test whether or not similar dynamical phenomena occur in glassy systems composed of binary hard ellipses. We demonstrate via event-driven molecular dynamics simulation that a binary hard-ellipse mixture with an aspect ratio of two and moderate size disparity displays characteristic glassy dynamics upon increasing density in both the translational and the rotational degrees of freedom. The rotational glass transition density is found to be close to the translational one for the binary mixtures investigated. More importantly, we assess the influence of size disparity and mixture composition on the relaxation dynamics. We find that an increase of size disparity leads, both translationally and rotationally, to a speed up of the long-time dynamics in the supercooled regime so that both the translational and the rotational glass transition shift to higher densities. By increasing the number concentration of the small particles, the time evolution of both translational and rotational relaxation dynamics at high densities displays two qualitatively different scenarios, i.e., both the initial and the final part of the structural relaxation slow down for small size disparity, while the short-time dynamics still slows down but the final decay speeds up in the binary mixture with large size disparity. These findings are reminiscent of those observed in binary hard spherical particles. Therefore, our results suggest a universal mechanism for the influence of size disparity and mixture composition on the structural relaxation in both isotropic and anisotropic particle systems.

Gigahertz dynamics of a strongly driven single quantum spin.

PubMed

Fuchs, G D; Dobrovitski, V V; Toyli, D M; Heremans, F J; Awschalom, D D

2009-12-11

Two-level systems are at the core of numerous real-world technologies such as magnetic resonance imaging and atomic clocks. Coherent control of the state is achieved with an oscillating field that drives dynamics at a rate determined by its amplitude. As the strength of the field is increased, a different regime emerges where linear scaling of the manipulation rate breaks down and complex dynamics are expected. By calibrating the spin rotation with an adiabatic passage, we have measured the room-temperature "strong-driving" dynamics of a single nitrogen vacancy center in diamond. With an adiabatic passage to calibrate the spin rotation, we observed dynamics on sub-nanosecond time scales. Contrary to conventional thinking, this breakdown of the rotating wave approximation provides opportunities for time-optimal quantum control of a single spin.

Cluster Morphology-Polymer Dynamics Correlations in Sulfonated Polystyrene Melts: Computational Study

DOE PAGES

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

2016-04-11

Reaching exceptionally long times up to 500 ns in equilibrium and nonequilibrium molecular dynamics simulations studies, we have attained a fundamental molecular understanding of the correlation of ionomer clusters structure and multiscale dynamics, providing new insight into one critical, long-standing challenge in ionic polymer physics. The cluster structure in melts of sulfonated polystyrene with Na + and Mg 2+ counterions are resolved and correlated with the dynamics on multiple length and time scales extracted from measurements of the dynamic structure factor and shear rheology. We find that as the morphology of the ionic clusters changes from ladderlike for Na +more » to disordered structures for Mg 2+, the dynamic structure factor is affected on the length scale corresponding to the ionic clusters. Lastly, rheology studies show that the viscosity for Mg 2+ melts is higher than for Na + ones for all shear rates, which is well correlated with the larger ionic clusters’ size for the Mg 2+ melts.« less

A dynamic scheduling algorithm for singe-arm two-cluster tools with flexible processing times

NASA Astrophysics Data System (ADS)

Li, Xin; Fung, Richard Y. K.

2018-02-01

This article presents a dynamic algorithm for job scheduling in two-cluster tools producing multi-type wafers with flexible processing times. Flexible processing times mean that the actual times for processing wafers should be within given time intervals. The objective of the work is to minimize the completion time of the newly inserted wafer. To deal with this issue, a two-cluster tool is decomposed into three reduced single-cluster tools (RCTs) in a series based on a decomposition approach proposed in this article. For each single-cluster tool, a dynamic scheduling algorithm based on temporal constraints is developed to schedule the newly inserted wafer. Three experiments have been carried out to test the dynamic scheduling algorithm proposed, comparing with the results the 'earliest starting time' heuristic (EST) adopted in previous literature. The results show that the dynamic algorithm proposed in this article is effective and practical.

Clustering promotes switching dynamics in networks of noisy neurons

NASA Astrophysics Data System (ADS)

Franović, Igor; Klinshov, Vladimir

2018-02-01

Macroscopic variability is an emergent property of neural networks, typically manifested in spontaneous switching between the episodes of elevated neuronal activity and the quiescent episodes. We investigate the conditions that facilitate switching dynamics, focusing on the interplay between the different sources of noise and heterogeneity of the network topology. We consider clustered networks of rate-based neurons subjected to external and intrinsic noise and derive an effective model where the network dynamics is described by a set of coupled second-order stochastic mean-field systems representing each of the clusters. The model provides an insight into the different contributions to effective macroscopic noise and qualitatively indicates the parameter domains where switching dynamics may occur. By analyzing the mean-field model in the thermodynamic limit, we demonstrate that clustering promotes multistability, which gives rise to switching dynamics in a considerably wider parameter region compared to the case of a non-clustered network with sparse random connection topology.

Dynamic Electrorheological Effects of Rotating Particles:

NASA Astrophysics Data System (ADS)

Yu, K. W.; Gu, G. Q.; Huang, J. P.; Xiao, J. J.

Particle rotation leads to a steady-state which is different from the equilibrium state in the absence of rotational motion. The change of the polarization of the particle due to the rotational motion is called the dynamic electrorheological effect (DER). There are three cases to be considered: rotating particles in a dc field, particle rotation due to a rotating field and spontaneous rotation of particle in dc field (Quincke rotation). In the DER of rotating particles, the particle rotational motion generally reduces the interparticle force between the particles. The effect becomes pronounced when the frequency is on the order of the relaxation rate of the surface charges. In the electrorotation of particles, the mutual interaction between approaching particles will change the electrorotation spectrum significantly. The electrorotation spectrum depends strongly on the medium conductivity as well as the conductivity contrast between the particle and the medium. In the collective behaviors of Quincke rotors, the mutual interactions between the individual rotors lead to the assembly of chain-like structures which make an angle with the applied field. This has an implication of a new class of material.

Features of globular cluster's dynamics with an intermediate-mass black hole

NASA Astrophysics Data System (ADS)

Ryabova, Marina V.; Gorban, Alena S.; Shchekinov, Yuri A.; Vasiliev, Evgenii O.

2018-02-01

In this paper, we address the question of how a central intermediate-mass black hole (IMBH) in a globular cluster (GC) affects dynamics, core collapse, and formation of the binary population. It is shown that the central IMBH forms a binary system that affects dynamics of stars in the cluster significantly. The presence of an intermediate-mass black hole with mass ≥ 1.0-1.7%of the total stellar mass in the cluster inhibits the formation of binary stars population.

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

Cottaar, Michiel; Meyer, Michael R.; Covey, Kevin R.

Most field stars will have encountered the highest stellar density and hence the largest number of interactions in their birth environment. Yet the stellar dynamics during this crucial phase are poorly understood. Here we analyze the radial velocities measured for 152 out of 380 observed stars in the 2–6 Myr old star cluster IC 348 as part of the SDSS-III APOGEE. The radial velocity distribution of these stars is fitted with one or two Gaussians, convolved with the measurement uncertainties including binary orbital motions. Including a second Gaussian improves the fit; the high-velocity outliers that are best fit by thismore » second component may either (1) be contaminants from the nearby Perseus OB2 association, (2) be a halo of ejected or dispersing stars from IC 348, or (3) reflect that IC 348 has not relaxed to a Gaussian velocity distribution. We measure a velocity dispersion for IC 348 of 0.72 ± 0.07 km s{sup −1} (or 0.64 ± 0.08 km s{sup −1} if two Gaussians are fitted), which implies a supervirial state, unless the gas contributes more to the gravitational potential than expected. No evidence is found for a dependence of this velocity dispersion on distance from the cluster center or stellar mass. We also find that stars with lower extinction (in the front of the cloud) tend to be redshifted compared with stars with somewhat higher extinction (toward the back of the cloud). This data suggest that the stars in IC 348 are converging along the line of sight. We show that this correlation between radial velocity and extinction is unlikely to be spuriously caused by the small cluster rotation of 0.024 ± 0.013 km s{sup −1} arcmin{sup −1} or by correlations between the radial velocities of neighboring stars. This signature, if confirmed, will be the first detection of line of sight convergence in a star cluster. Possible scenarios for reconciling this convergence with IC 348's observed supervirial state include: (a) the cluster is fluctuating around a new virial equilibrium after a recent disruption due to gas expulsion or a merger event, or (b) the population we identify as IC 348 results from the chance alignment of two sub-clusters converging along the line of sight. Additional measurements of tangential and radial velocities in IC 348 will be important for clarifying the dynamics of this region and informing models of the formation and evolution of star clusters. The radial velocities analyzed in this paper have been made available online.« less

Ab Initio Molecular Dynamics Studies of Pb m Sb n ( m + n ≤ 9) Alloy Clusters

NASA Astrophysics Data System (ADS)

Song, Bingyi; Xu, Baoqiang; Yang, Bin; Jiang, Wenlong; Chen, Xiumin; Xu, Na; Liu, Dachun; Dai, Yongnian

2017-10-01

Structure, stability, and dynamics of Pb m Sb n ( m + n ≤ 9) clusters were investigated using ab initio molecular dynamics. Size dependence of binding energies, the second-order energy difference of clusters, dissociation energy, HOMO-LUMO gaps, Mayer bond order, and the diffusion coefficient of Pb m Sb n clusters were discussed. Results suggest that Pb3Sb2, Pb4Sb2, and Pb5Sb4 ( n = 2 or 4) clusters have higher stability than other clusters, which is consistent with previous findings. In case of Pb-Sb alloy, the dynamics results show that Pb4Sb2 (Pb-22.71 wt pct Sb) can exist in gas phase at 1073 K (800 °C), which reasonably explains the azeotropic phenomenon, and the calculated values are in agreement with the experimental results (Pb-22 wt pct Sb).

Clustering effects in ionic polymers: Molecular dynamics simulations

DOE PAGES

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

2015-08-18

Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. Furthermore, these ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing themore » electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Finally, decrease in electrostatic interaction significantly enhances the mobility of the polymer.« less

Harmonic decomposition of magneto-optical signal from suspensions of superparamagnetic nanoparticles

NASA Astrophysics Data System (ADS)

Patterson, Cody; Syed, Maarij; Takemura, Yasushi

2018-04-01

Magnetic nanoparticles (MNPs) are widely used in biomedical applications. Characterizing dilute suspensions of superparamagnetic iron oxide nanoparticles (SPIONs) in bio-relevant media is particularly valuable for magnetic particle imaging, hyperthermia, drug delivery, etc. Here, we study dilute aqueous suspensions of single-domain magnetite nanoparticles using an AC Faraday rotation (FR) setup. The setup uses an oscillating magnetic field (800 Hz) which generates a multi-harmonic response. Each harmonic is collected and analyzed using the Fourier components of the theoretical signal determined by a Langevin-like magnetization. With this procedure, we determine the average magnetic moment per particle μ , particle number density n, and Verdet constant of the sample. The fitted values of μ and n are shown to be consistent across each harmonic. Additionally, we present the results of these parameters as n is varied. The large values of μ reveal the possibility of clustering as reported in other literature. This suggests that μ is representative of the average magnetic moment per cluster of nanoparticles. Multiple factors, including the external magnetic field, surfactant degradation, and laser absorption, can contribute to dynamic and long-term aggregation leading to FR signals that represent space- and time-averaged sample parameters. Using this powerful analysis procedure, future studies are aimed at determining the clustering mechanisms in this AC system and characterizing SPION suspensions at different frequencies and viscosities.

The relation between the mass-to-light ratio and the relaxation state of globular clusters

NASA Astrophysics Data System (ADS)

Bianchini, P.; Sills, A.; van de Ven, G.; Sippel, A. C.

2017-08-01

The internal dynamics of globular clusters (GCs) is strongly affected by two-body interactions that bring the systems to a state of partial energy equipartition. Using a set of Monte Carlo clusters simulations, we investigate the role of the onset of energy equipartition in shaping the mass-to-light ratio (M/L) in GCs. Our simulations show that the M/L profiles cannot be considered constant and their specific shape strongly depends on the dynamical age of the clusters. Dynamically younger clusters display a central peak up to M/L ≃ 25 M⊙/L⊙ caused by the retention of dark remnants; this peak flattens out for dynamically older clusters. Moreover, we find that also the global values of M/L correlate with the dynamical state of a cluster quantified as either the number of relaxation times a system has experienced nrel or the equipartition parameter meq: clusters closer to full equipartition (higher nrel or lower meq) display a lower M/L. We show that the decrease of M/L is primarily driven by the dynamical ejection of dark remnants, rather than by the escape of low-mass stars. The predictions of our models are in good agreement with observations of GCs in the Milky Way and M31, indicating that differences in relaxation state alone can explain variations of M/L up to a factor of ≃3. Our characterization of the M/L as a function of relaxation state is of primary relevance for the application and interpretation of dynamical models.

Proton dynamics and surface heterogeneity of silica gel with adsorbed benzene below one monolayer coverage

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

Peterson, E.M.; O'Reilly, D.E.; Tsangb), T.

1979-04-01

Proton and deuteron NMR relaxation times of C/sub 6/H/sub 6/, C/sub 6/D/sub 6/, and mixtures of these molecules have been measured on a superpure silica gel (SPSG) and a sample of a Matheson silica gel (MSG) both dehydrated at 600/sup 0/ C and rotational (intramolecular) and translational (intermolecular) correlation times have been computed from the relaxation time data at a statistical coverage theta=0.6. Three kinds of adsorption sites have been observed: (1) A sites, which are probably oxygen vacancies on the surface, (2) B sites which are assigned to paired hydroxyl groups on the surface, and finally (3) C sitesmore » which comprise 80% of the occupied surface and are primarily isolated hydroxyl groups. Rotational and translational motions are highly correlated for the A and B site molecules. The mean number of molecules clustered at the A and B sites are inferred from the intermolecular second moments associated with each of these sites. The surface density of the A sites is 1.1 x 10/sup 12/ cm/sup -2/ for SPSG and 3.1 x 10/sup 12/ cm/sup -2/ for MSG.« less

Kinetics of self-interstitial migration in bcc and fcc transition metals

NASA Astrophysics Data System (ADS)

Bukkuru, S.; Bhardwaj, U.; Srinivasa Rao, K.; Rao, A. D. P.; Warrier, M.; Valsakumar, M. C.

2018-03-01

Radiation damage is a multi-scale phenomenon. A thorough understanding of diffusivities and the migration energies of defects is a pre-requisite to quantify the after-effects of irradiation. We investigate the thermally activated mobility of self-interstitial atom (SIA) in bcc transition metals Fe, Mo, Nb and fcc transition metals Ag, Cu, Ni, Pt using molecular dynamics (MD) simulations. The self-interstitial diffusion involves various mechanisms such as interstitialcy, dumbbell or crowdion mechanisms. Max-Space Clustering (MSC) method has been employed to identify the interstitial and its configuration over a wide range of temperature. The self-interstitial diffusion is Arrhenius like, however, there is a slight deviation at high temperatures. The migration energies, pre-exponential factors of diffusion and jump-correlation factors, obtained from these simulations can be used as inputs to Monte Carlo simulations of defect transport. The jump-correlation factor shows the degree of preference of rectilinear or rotational jumps. We obtain the average jump-correlation factor of 1.4 for bcc metals and 0.44 for fcc metals. It indicates that rectilinear jumps are preferred in bcc metals and rotational jumps are preferred in fcc metals.

The Distance to the Coma Cluster from the Tully--Fisher Relation

NASA Astrophysics Data System (ADS)

Herter, T.; Vogt, N. P.; Haynes, M. P.; Giovanelli, R.

1993-12-01

As part of a survey to determine the distances to nearby (z < .04) Abell clusters via application of the Tully--Fisher (TF) relation, we have obtained 21 cm HI line widths, optical rotation curves and photometric I--band CCD images of galaxies within and near the Coma cluster. Because spiral galaxies within the cluster itself are HI deficient and thus are detected marginally or not at all in HI, distance determinations using only the radio TF relation exclude true cluster members. Our sample includes eight HI deficient galaxies within 1.5 degrees of the cluster center, for which optical velocity widths are derived from their Hα and [NII] rotation curves. The 21 cm line widths have been extracted using a new algorithm designed to optimize the measurement for TF applications, taking into account the effects of spectral resolution and smoothing. The optical width is constructed from the velocity histogram, and is therefore a global value akin to the HI width. A correction for turbulent broadening of the HI is derived from comparison of the optical and HI widths. Using a combined sample of 260 galaxies in 11 clusters and an additional 30 field objects at comparable distances, we have performed a calibration of the radio and optical analogs of the TF relation. Preliminary results show a clear linear relationship with a small offset between optical and radio widths, and good agreement in deriving Tully--Fisher distances to clusters. Our Coma sample consists of 28 galaxies with optical widths and 42 with HI line widths, with an overlapping set of 20 galaxies. We will present the data on the Coma cluster, and discuss the results of our analysis.

Twirling and Whirling: Viscous Dynamics of Rotating Elastica

NASA Astrophysics Data System (ADS)

Powers, Thomas R.; Wolgemuth, Charles W.; Goldstein, Raymond E.

1999-11-01

Motivated by diverse phenomena in cellular biophysics, including bacterial flagellar motion and DNA transcription and replication, we study the overdamped nonlinear dynamics of a rotationally forced filament with twist and bend elasticity. The competition between twist diffusion and writhing instabilities is described by a novel pair of coupled PDEs for twist and bend evolution. Analytical and numerical methods elucidate the twist-bend coupling and reveal two dynamical regimes separated by a Hopf bifurcation: (i) diffusion-dominated axial rotation, or twirling, and (ii) steady-state crankshafting motion, or whirling. The consequences of these phenomena for self-propulsion are investigated, and experimental tests proposed.

Femtochemistry in the electronic ground state: Dynamic Stark control of vibrational dynamics

NASA Astrophysics Data System (ADS)

Shu, Chuan-Cun; Thomas, Esben F.; Henriksen, Niels E.

2017-09-01

We study the interplay of vibrational and rotational excitation in a diatomic molecule due to the non-resonant dynamic Stark effect. With a fixed peak intensity, optimal Gaussian pulse durations for maximizing vibrational or rotational transitions are obtained analytically and confirmed numerically for the H2 and Cl2 molecules. In general, pulse trains or more advanced pulse shaping techniques are required in order to obtain significant vibrational excitation. To that end, we demonstrate that a high degree of selectivity between vibrational and rotational excitation is possible with a suitably phase-modulated Gaussian pulse.

Feasibility of Using PZT Actuators to Study the Dynamic Behavior of a Rotating Disk due to Rotor-Stator Interaction

PubMed Central

Presas, Alexandre; Egusquiza, Eduard; Valero, Carme; Valentin, David; Seidel, Ulrich

2014-01-01

In this paper, PZT actuators are used to study the dynamic behavior of a rotating disk structure due to rotor-stator interaction excitation. The disk is studied with two different surrounding fluids—air and water. The study has been performed analytically and validated experimentally. For the theoretical analysis, the natural frequencies and the associated mode shapes of the rotating disk in air and water are obtained with the Kirchhoff-Love thin plate theory coupled with the interaction with the surrounding fluid. A model for the Rotor Stator Interaction that occurs in many rotating disk-like parts of turbomachinery such as compressors, hydraulic runners or alternators is presented. The dynamic behavior of the rotating disk due to this excitation is deduced. For the experimental analysis a test rig has been developed. It consists of a stainless steel disk (r = 198 mm and h = 8 mm) connected to a variable speed motor. Excitation and response are measured from the rotating system. For the rotating excitation four piezoelectric patches have been used. Calibrating the piezoelectric patches in amplitude and phase, different rotating excitation patterns are applied on the rotating disk in air and in water. Results show the feasibility of using PZT to control the response of the disk due to a rotor-stator interaction. PMID:25004151

The bacterial actin MreB rotates, and rotation depends on cell-wall assembly.

PubMed

van Teeffelen, Sven; Wang, Siyuan; Furchtgott, Leon; Huang, Kerwyn Casey; Wingreen, Ned S; Shaevitz, Joshua W; Gitai, Zemer

2011-09-20

Bacterial cells possess multiple cytoskeletal proteins involved in a wide range of cellular processes. These cytoskeletal proteins are dynamic, but the driving forces and cellular functions of these dynamics remain poorly understood. Eukaryotic cytoskeletal dynamics are often driven by motor proteins, but in bacteria no motors that drive cytoskeletal motion have been identified to date. Here, we quantitatively study the dynamics of the Escherichia coli actin homolog MreB, which is essential for the maintenance of rod-like cell shape in bacteria. We find that MreB rotates around the long axis of the cell in a persistent manner. Whereas previous studies have suggested that MreB dynamics are driven by its own polymerization, we show that MreB rotation does not depend on its own polymerization but rather requires the assembly of the peptidoglycan cell wall. The cell-wall synthesis machinery thus either constitutes a novel type of extracellular motor that exerts force on cytoplasmic MreB, or is indirectly required for an as-yet-unidentified motor. Biophysical simulations suggest that one function of MreB rotation is to ensure a uniform distribution of new peptidoglycan insertion sites, a necessary condition to maintain rod shape during growth. These findings both broaden the view of cytoskeletal motors and deepen our understanding of the physical basis of bacterial morphogenesis.

Spots and the Activity of Stars in the Hyades Cluster from Observations with the Kepler Space Telescope (K2)

NASA Astrophysics Data System (ADS)

Savanov, I. S.; Dmitrienko, E. S.

2018-03-01

Observations of the K2 mission (continuing the program of the Kepler Space Telescope) are used to estimate the spot coverage S (the fractional area of spots on the surface of an active star) for stars of the Hyades cluster. The analysis is based on data on the photometric variations of 47 confirmed single cluster members, together with their atmospheric parameters, masses, and rotation periods. The resulting values of S for these Hyades objects are lower than those stars of the Pleiades cluster (on average, by Δ S 0.05-0.06). A comparison of the results of studies of cool, low-mass dwarfs in the Hyades and Pleiades clusters, as well as the results of a study of 1570 M stars from the main field observed in the Kepler SpaceMission, indicates that the Hyades stars are more evolved than the Pleiades stars, and demonstrate lower activity. The activity of seven solar-type Hyades stars ( S = 0.013 ± 0.006) almost approaches the activity level of the present-day Sun, and is lower than the activity of solar-mass stars in the Pleiades ( S = 0.031 ± 0.003). Solar-type stars in the Hyades rotate faster than the Sun (< P> = 8.6 d ), but slower than similar Pleiades stars.

Time-Dependent Thomas-Fermi Approach for Electron Dynamics in Metal Clusters

NASA Astrophysics Data System (ADS)

Domps, A.; Reinhard, P.-G.; Suraud, E.

1998-06-01

We propose a time-dependent Thomas-Fermi approach to the (nonlinear) dynamics of many-fermion systems. The approach relies on a hydrodynamical picture describing the system in terms of collective flow. We investigate in particular an application to electron dynamics in metal clusters. We make extensive comparisons with fully fledged quantal dynamical calculations and find overall good agreement. The approach thus provides a reliable and inexpensive scheme to study the electronic response of large metal clusters.

Axial tomography in 3D live cell microscopy

NASA Astrophysics Data System (ADS)

Richter, Verena; Bruns, Sarah; Bruns, Thomas; Piper, Mathis; Weber, Petra; Wagner, Michael; Cremer, Christoph; Schneckenburger, Herbert

2017-07-01

A miniaturized setup for sample rotation on a microscope stage has been developed, combined with light sheet, confocal or structured illumination microscopy and applied to living cells as well as to small organisms. This setup permits axial tomography with improved visualization of single cells or small cell clusters as well as an enhanced effective 3D resolution upon sample rotation.

Nonlinear equations for dynamics of pretwisted beams undergoing small strains and large rotations

NASA Technical Reports Server (NTRS)

Hodges, D. H.

1985-01-01

Nonlinear beam kinematics are developed and applied to the dynamic analysis of a pretwisted, rotating beam element. The common practice of assuming moderate rotations caused by structural deformation in geometric nonlinear analyses of rotating beams was abandoned in the present analysis. The kinematic relations that described the orientation of the cross section during deformation are simplified by systematically ignoring the extensional strain compared to unity in those relations. Open cross section effects such as warping rigidity and dynamics are ignored, but other influences of warp are retained. The beam cross section is not allowed to deform in its own plane. Various means of implementation are discussed, including a finite element formulation. Numerical results obtained for nonlinear static problems show remarkable agreement with experiment.

Bubble mass center and fluid feedback force fluctuations activated by constant lateral impulse with variable thrust

NASA Technical Reports Server (NTRS)

Hung, R. J.; Long, Y. T.

1995-01-01

Sloshing dynamics within a partially filled rotating dewar of superfluid helium 2 are investigated in response to constant lateral impulse with variable thrust. The study, including how the rotating bubble of superfluid helium 2 reacts to the constant impulse with variable time period of thrust action in microgravity, how amplitudes of bubble mass center fluctuates with growth and decay of disturbances, and how fluid feedback forces fluctuates in activating on the rotating dewar through the dynamics of sloshing waves are investigated. The numerical computation of sloshing dynamics is based on the non-inertial frame spacecraft bound coordinate with lateral impulses actuating on the rotating dewar in both inertial and non-inertial frames of thrust. Results of the simulations are illustrated.

Comments on Frequency Swept Rotating Input Perturbation Techniques and Identification of the Fluid Force Models in Rotor/bearing/seal Systems and Fluid Handling Machines

NASA Technical Reports Server (NTRS)

Muszynska, Agnes; Bently, Donald E.

1991-01-01

Perturbation techniques used for identification of rotating system dynamic characteristics are described. A comparison between two periodic frequency-swept perturbation methods applied in identification of fluid forces of rotating machines is presented. The description of the fluid force model identified by inputting circular periodic frequency-swept force is given. This model is based on the existence and strength of the circumferential flow, most often generated by the shaft rotation. The application of the fluid force model in rotor dynamic analysis is presented. It is shown that the rotor stability is an entire rotating system property. Some areas for further research are discussed.

Geophysical Fluid Dynamics Outreach Films

NASA Astrophysics Data System (ADS)

Aurnou, J. M.; Schwarz, J. W.; Noguez, G.

2012-12-01

Here we will present high definition films of laboratory experiments demonstrating basic fluid motions similar to those occurring in atmospheres and oceans. In these experiments, we use water to simulate the fluid dynamics of both the liquid (oceans) and gaseous (atmospheric) envelopes. To simulate the spinning of the earth, we carry out the experiments on a rotating table. For each experiment, we begin by looking at our system first without the effects of rotation. Then, we include rotation to see how the behavior of the fluid changes due to the Coriolis accelerations. Our hope is that by viewing these experiments one will develop a sense for how fluids behave both in rotating and non-rotating systems. By noting the differences between the experiments, it should then be possible to establish a basis to think about large-scale fluid motions that exist in Earth's oceans and atmospheres as well as on planets other than Earth.Plan view image of vortices in a rotating tank of fluid. Movies of such flows make accessible the often difficult to comprehend fluid dynamical processes that occur in planetary atmospheres and oceans.

Rotation of Guanine Amino Groups in G-Quadruplexes: A Probe for Local Structure and Ligand Binding.

PubMed

Adrian, Michael; Winnerdy, Fernaldo Richtia; Heddi, Brahim; Phan, Anh Tuân

2017-08-22

Nucleic acids are dynamic molecules whose functions may depend on their conformational fluctuations and local motions. In particular, amino groups are dynamic components of nucleic acids that participate in the formation of various secondary structures such as G-quadruplexes. Here, we present a cost-efficient NMR method to quantify the rotational dynamics of guanine amino groups in G-quadruplex nucleic acids. An isolated spectrum of amino protons from a specific tetrad-bound guanine can be extracted from the nuclear Overhauser effect spectroscopy spectrum based on the close proximity between the intra-residue imino and amino protons. We apply the method in different structural contexts of G-quadruplexes and their complexes. Our results highlight the role of stacking and hydrogen-bond interactions in restraining amino-group rotation. The measurement of the rotation rate of individual amino groups could give insight into the dynamic processes occurring at specific locations within G-quadruplex nucleic acids, providing valuable probes for local structure, dynamics, and ligand binding. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Electrostatic effects on clustering and ion dynamics in ionomer melts

NASA Astrophysics Data System (ADS)

Ma, Boran; Nguyen, Trung; Pryamitsyn, Victor; Olvera de La Cruz, Monica

An understanding of the relationships between ionomer chain morphology, dynamics and counter-ion mobility is a key factor in the design of ion conducting membranes for battery applications. In this study, we investigate the influence of electrostatic coupling between randomly charged copolymers (ionomers) and counter ions on the structural and dynamic features of a model system of ionomer melts. Using coarse-grained molecular dynamics (CGMD) simulations, we found that variations in electrostatic coupling strength (Γ) remarkably affect the formation of ion-counter ion clusters, ion mobility, and polymer dynamics for a range of charged monomer fractions. Specifically, an increase in Γ leads to larger ionic cluster sizes and reduced polymer and ion mobility. Analysis of the distribution of the radius of gyration of the clusters further reveals that the fractal dimension of the ion clusters is nearly independent from Γ for all the cases studied. Finally, at sufficiently high values of Γ, we observed arrested heterogeneous ions mobility, which is correlated with an increase in ion cluster size. These findings provide insight into the role of electrostatics in governing the nanostructures formed by ionomers.

Combining research in physical chemistry and chemical education: Part A. The femtosecond molecular dynamics of small gas-phase anion clusters. Part B. Surveying student beliefs about chemistry and the development of physical chemistry learning tutorials

NASA Astrophysics Data System (ADS)

Barbera, Jack

2007-12-01

This dissertation combines work in the areas of experimental physical chemistry and chemical education. In the area of physical chemistry, femtosecond pump-probe spectroscopy is used to interrogate the time-dependence for energy redistribution, solvent reorientation, and dissociation dynamics in small gas-phase anion clusters. The chemical education research addressed in this manuscript include the development and validation of a survey to measure students' beliefs about chemistry and the learning of chemistry and the development and testing of learning tutorials for use in undergraduate physical chemistry courses in thermodynamics and kinetics. In the first part of this dissertation, the Cu(CD3OD) dynamics are investigated using a combination of femtosecond pump-probe experiments and ab initio calculations. Dissociation of this complex into Cu and CD3OD occurs on two distinct time scales: 3 and 30 ps, which arise, respectively, from the coupling of intermolecular solvent rotations and excited methyl rotor rotation into the Cu-O dissociation component upon electron photodetachment of the precursor anion. In the second part of this dissertation, the time-resolved recombination of photodissociated IBr-(CO2)n (n = 5 - 10) cluster anions is investigated. Upon excitation to the A' 2pi 1/2 state of the chromophore, the bare anion results in I- and Br products, upon solvation with CO2, the IBr- chromophore regains near-IR absorption after recombination and vibrational relaxation on the ground electronic state. The recombination times vary with the number of solvent molecules from 12 ps for n = 5 to 900 ps for n = 10. Extensive electronic structure and non-adiabatic molecular dynamic simulations provide a framework to understand this behavior. In the third part of this dissertation, the modification and validation of the Colorado Learning Attitudes about Science Survey (CLASS) for use in chemistry is presented in detail. The CLASS survey is designed to measure student beliefs about chemistry and the learning of chemistry. This instrument is a modification of the original CLASS-Phys survey designed for use in physics. Statements on the chemistry version (CLASS-Chem) are validated using chemistry students with a broad range of experience levels to ensure clarity in wording and meaning. The chemistry version addresses additional belief areas important in learning chemistry but not physics, specifically, beliefs about reactions and molecular structure. Statements are grouped into statistically robust categories using reduced basis factor analysis. The final part of this dissertation addresses the development and testing of learning tutorials for use in undergraduate physical chemistry. The tutorials are designed to promote the active mental engagement of students in the process of learning. Questions within the pencil-paper format guide students through the reasoning needed to apply concepts to real-world situations. Each tutorial is connected to a physical model or computer simulation providing students with additional hands-on investigations to strengthen their connection with the concepts addressed in the tutorial. Currently tutorials connected with the First and Second Laws of Thermodynamics as well as Kinetics have been developed and tested.

Rotating reverse osmosis: a dynamic model for flux and rejection

NASA Technical Reports Server (NTRS)

Lee, S.; Lueptow, R. M.

2001-01-01

Reverse osmosis (RO) is a compact process for the removal of ionic and organic pollutants from contaminated water. However, flux decline and rejection deterioration due to concentration polarization and membrane fouling hinders the application of RO technology. In this study, a rotating cylindrical RO membrane is theoretically investigated as a novel method to reduce polarization and fouling. A dynamic model based on RO membrane transport incorporating concentration polarization is used to predict the performance of rotating RO system. Operating parameters such as rotational speed and transmembrane pressure play an important role in determining the flux and rejection in rotating RO. For a given geometry, a rotational speed sufficient to generate Taylor vortices in the annulus is essential to maintain high flux as well as high rejection. The flux and rejection were calculated for wide range of operating pressures and rotational speeds. c 2001 Elsevier Science B.V. All rights reserved.

Nearby Early-type Galactic Nuclei at High Resolution: Dynamical Black Hole and Nuclear Star Cluster Mass Measurements

NASA Astrophysics Data System (ADS)

Nguyen, Dieu D.; Seth, Anil C.; Neumayer, Nadine; Kamann, Sebastian; Voggel, Karina T.; Cappellari, Michele; Picotti, Arianna; Nguyen, Phuong M.; Böker, Torsten; Debattista, Victor; Caldwell, Nelson; McDermid, Richard; Bastian, Nathan; Ahn, Christopher C.; Pechetti, Renuka

2018-05-01

We present a detailed study of the nuclear star clusters (NSCs) and massive black holes (BHs) of four of the nearest low-mass early-type galaxies: M32, NGC 205, NGC 5102, and NGC 5206. We measure the dynamical masses of both the BHs and NSCs in these galaxies using Gemini/NIFS or VLT/SINFONI stellar kinematics, Hubble Space Telescope (HST) imaging, and Jeans anisotropic models. We detect massive BHs in M32, NGC 5102, and NGC 5206, while in NGC 205, we find only an upper limit. These BH mass estimates are consistent with previous measurements in M32 and NGC 205, while those in NGC 5102 and NGC 5206 are estimated for the first time and both found to be <106 M ⊙. This adds to just a handful of galaxies with dynamically measured sub-million M ⊙ central BHs. Combining these BH detections with our recent work on NGC 404's BH, we find that 80% (4/5) of nearby, low-mass ({10}9{--}{10}10 M ⊙ {σ }\\star ∼ 20{--}70 km s‑1) early-type galaxies host BHs. Such a high occupation fraction suggests that the BH seeds formed in the early epoch of cosmic assembly likely resulted in abundant seeds, favoring a low-mass seed mechanism of the remnants, most likely from the first generation of massive stars. We find dynamical masses of the NSCs ranging from 2 to 73 × 106 M ⊙ and compare these masses to scaling relations for NSCs based primarily on photometric mass estimates. Color gradients suggest that younger stellar populations lie at the centers of the NSCs in three of the four galaxies (NGC 205, NGC 5102, and NGC 5206), while the morphology of two are complex and best fit with multiple morphological components (NGC 5102 and NGC 5206). The NSC kinematics show they are rotating, especially in M32 and NGC 5102 (V/{σ }\\star ∼ 0.7).

Dynamical Models of Elliptical Galaxies in z=0.5 Clusters. II. Mass-to-Light Ratio Evolution without Fundamental Plane Assumptions

NASA Astrophysics Data System (ADS)

van der Marel, Roeland P.; van Dokkum, Pieter G.

2007-10-01

We study the mass-to-light ratio (M/L) evolution of early-type galaxies using dynamical modeling of resolved internal kinematics. This makes fewer assumptions than fundamental plane (FP) studies and provides a powerful new approach for studying galaxy evolution. We focus on the sample of 25 galaxies in clusters at z~0.5 modeled in Paper I. For comparison, we compile and homogenize M/L literature data for 60 nearby galaxies that were modeled in comparable detail. The nearby sample obeys log(M/L)B=Z+Slog(σeff/200 km s-1), where Z=0.896+/-0.010, S=0.992+/-0.054, and σeff is the effective velocity dispersion. The z~0.5 sample follows a similar relation, but with lower zero point. The implied M/L evolution is Δlog(M/L)/Δz=-0.457+/-0.046(random)+/-0.078(systematic), consistent with passive evolution following high-redshift formation. This agrees with the FP results for this sample by van Dokkum & van der Marel, and confirms that FP evolution tracks M/L evolution, which is an important verification of the assumptions that underlie FP studies. However, while we find more FP evolution for galaxies of low σeff (or low mass), the dynamical M/L evolution shows little correlation with σeff. We argue that this difference can be plausibly attributed to a combination of two effects: (1) evolution in structural galaxy properties other than M/L, and (2) the neglect of rotational support in studies of FP evolution. The results leave the question open as to whether the low-mass galaxies in the sample have younger populations than the high-mass galaxies. This highlights the general importance in the study of population ages for complementing dynamical measurements with broadband colors or spectroscopic population diagnostics.

Influence of electrolytes on the microenvironment of F127 triblock copolymer micelles: a solvation and rotational dynamics study of coumarin dyes.

PubMed

Kumbhakar, Manoj; Ganguly, Rajib

2007-04-19

Dynamic Stokes' shift and fluorescence anisotropy measurements of coumarin 153 (C153) and coumarin 151 (C151) as fluorescence probes have been carried out to understand the influence of electrolytes (NaCl and LiCl) on the hydration behavior of aqueous (ethylene oxide)100-(propylene oxide)70-(ethylene oxide)100 (EO100-PO70-EO100, F127) block copolymer micelles. A small blue shift in the fluorescence spectra of C153 has been observed in presence of electrolytes due to the dehydration of the oxyethylene chains in the PEO-PPO region, although fluorescence spectra of C151 remain unaltered. The close vicinity of bulk water for C151 probably negates the effect of dehydration in the PEO region. Fluorescence anisotropy measurements indicate a gradual increase in microviscosity with electrolyte concentrations. The partial collapse of copolymer blocks in the presence of electrolytes has been suggested as a reason for the increase in microviscosity along with the strong hydration of ions in the corona region. The interplay between the ion hydration and the mechanically trapped water content, and specific interaction of ions, such as complexation of Li+ ions with the copolymer block, is found to control solvation dynamics in the corona region. In addition to that, it has been established that Na+ ions reside deep into the corona region whereas Li+ ions prefer to reside closer to the surface. Owing to its higher lyotropicity, LiCl influences the corona hydration to a greater extent than NaCl and sets in micelle-micelle interaction above the 2 M LiCl concentration, as reflected in the saturation of solvation time constants. The formation of larger clusters of F127 micelles above 2 M LiCl has been confirmed by dynamic light scattering measurements; however, such cluster formation is not evident with NaCl.

Gyroscopic sensing in the wings of the hawkmoth Manduca sexta: the role of sensor location and directional sensitivity.

PubMed

Hinson, Brian T; Morgansen, Kristi A

2015-10-06

The wings of the hawkmoth Manduca sexta are lined with mechanoreceptors called campaniform sensilla that encode wing deformations. During flight, the wings deform in response to a variety of stimuli, including inertial-elastic loads due to the wing flapping motion, aerodynamic loads, and exogenous inertial loads transmitted by disturbances. Because the wings are actuated, flexible structures, the strain-sensitive campaniform sensilla are capable of detecting inertial rotations and accelerations, allowing the wings to serve not only as a primary actuator, but also as a gyroscopic sensor for flight control. We study the gyroscopic sensing of the hawkmoth wings from a control theoretic perspective. Through the development of a low-order model of flexible wing flapping dynamics, and the use of nonlinear observability analysis, we show that the rotational acceleration inherent in wing flapping enables the wings to serve as gyroscopic sensors. We compute a measure of sensor fitness as a function of sensor location and directional sensitivity by using the simulation-based empirical observability Gramian. Our results indicate that gyroscopic information is encoded primarily through shear strain due to wing twisting, where inertial rotations cause detectable changes in pronation and supination timing and magnitude. We solve an observability-based optimal sensor placement problem to find the optimal configuration of strain sensor locations and directional sensitivities for detecting inertial rotations. The optimal sensor configuration shows parallels to the campaniform sensilla found on hawkmoth wings, with clusters of sensors near the wing root and wing tip. The optimal spatial distribution of strain directional sensitivity provides a hypothesis for how heterogeneity of campaniform sensilla may be distributed.

Multidimensional intermolecular dynamics from tunable far-infrared laser spectroscopy: Angular-radial coupling in the intermolecular potential of argon--H sub 2 O

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

Cohen, R.C.; Saykally, R.J.

1991-12-01

Five new vibration--rotation tunneling states of Ar--H{sub 2}O (the {Sigma} and {Pi}(1{sub 11}) and the {Sigma} and {Pi}(2{sub 12}) internal rotor states and the {ital n}=1, {Pi}(1{sub 01}) stretching-internal rotor combination level) have been accessed by tunable far-infrared laser spectroscopy. The measured vibrational band origins of transitions to these states are within 2% of predictions made from an anisotropic three-dimensional intermolecular potential surface (denoted AW1) derived from a nonlinear least-squares fit to previous far-infrared spectral data (J. Phys. Chem. {bold 94}, 7991(1990)). This provides strong evidence that the AW1 intermolecular potential surface incorporates much of the essential physics of themore » intermolecular forces which bind the cluster. However, larger deviations from the predictions are found in the observed rotational term values. A detailed analysis of these deviations clearly demonstrates the need for even stronger angular-radial coupling in the Ar--H{sub 2}O intermolecular potential than the already substantial coupling present in the AW1 surface. Specifically, the presently observed {Sigma}(1{sub 11}) state and the {ital n}=1, {Sigma}(0{sub 00}) state are found to be approximately 65:35 mixtures of the basis states which represent pure stretching and internal rotation. The {Sigma}(2{sub 12}) level is found to be mixed just as strongly with {ital n}=2, {Sigma}(1{sub 01}). The formalism for accurately deperturbing vibration--rotation--tunneling states coupled by Coriolis interactions used in the above analysis is presented.« less

Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

NASA Astrophysics Data System (ADS)

Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G.; Hummer, Gerhard

2014-09-01

Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.

Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

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

Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G., E-mail: yannis@princeton.edu, E-mail: gerhard.hummer@biophys.mpg.de

Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlapmore » with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.« less

Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

PubMed Central

Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G.; Hummer, Gerhard

2014-01-01

Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space. PMID:25240340

Clustering of Local Group Distances: Publication Bias or Correlated Measurements? V. Galactic Rotation Constants

NASA Astrophysics Data System (ADS)

de Grijs, Richard; Bono, Giuseppe

2017-10-01

As part of an extensive data mining effort, we have compiled a database of 162 Galactic rotation speed measurements at R 0 (the solar Galactocentric distance), {{{\\Theta }}}0. Published between 1927 and 2017 June, this represents the most comprehensive set of {{{\\Theta }}}0 values since the 1985 meta-analysis that led to the last revision of the International Astronomical Union’s recommended Galactic rotation constants. Although we do not find any compelling evidence for the presence of “publication bias” in recent decades, we find clear differences among the {{{\\Theta }}}0 values and the {{{\\Theta }}}0/{R}0 ratios resulting from the use of different tracer populations. Specifically, young tracers (including OB and supergiant stars, masers, Cepheid variables, H II regions, and young open clusters), as well as kinematic measurements of Sgr A* near the Galactic Center, imply a significantly larger Galactic rotation speed at the solar circle and a higher {{{\\Theta }}}0/{R}0 ratio (i.e., {{{\\Theta }}}0=247+/- 3 km s‑1 and {{{\\Theta }}}0/{R}0=29.81+/- 0.32 km s‑1 kpc‑1 statistical uncertainties only) than any of the tracers dominating the Galaxy’s mass budget (i.e., field stars and the H I/CO distributions). Using the latter to be most representative of the bulk of the Galaxy’s matter distribution, we arrive at an updated set of Galactic rotation constants,

Rotational spectroscopy of cold and trapped molecular ions in the Lamb-Dicke regime

NASA Astrophysics Data System (ADS)

Alighanbari, S.; Hansen, M. G.; Korobov, V. I.; Schiller, S.

2018-06-01

Sympathetic cooling of trapped ions has been established as a powerful technique for the manipulation of non-laser-coolable ions1-4. For molecular ions, it promises vastly enhanced spectroscopic resolution and accuracy. However, this potential remains untapped so far, with the best resolution achieved being not better than 5 × 10-8 fractionally, due to residual Doppler broadening being present in ion clusters even at the lowest achievable translational temperatures5. Here we introduce a general and accessible approach that enables Doppler-free rotational spectroscopy. It makes use of the strong radial spatial confinement of molecular ions when trapped and crystallized in a linear quadrupole trap, providing the Lamb-Dicke regime for rotational transitions. We achieve a linewidth of 1 × 10-9 fractionally and 1.3 kHz absolute, an improvement of ≃50-fold over the previous highest resolution in rotational spectroscopy. As an application, we demonstrate the most precise test of ab initio molecular theory and the most accurate (1.3 × 10-9) determination of the proton mass using molecular spectroscopy. The results represent the long overdue extension of Doppler-free microwave spectroscopy of laser-cooled atomic ion clusters6 to higher spectroscopy frequencies and to molecules. This approach enables a wide range of high-accuracy measurements on molecules, both on rotational and, as we project, vibrational transitions.

Large eddy simulation of spanwise rotating turbulent channel flow with dynamic variants of eddy viscosity model

NASA Astrophysics Data System (ADS)

Jiang, Zhou; Xia, Zhenhua; Shi, Yipeng; Chen, Shiyi

2018-04-01

A fully developed spanwise rotating turbulent channel flow has been numerically investigated utilizing large-eddy simulation. Our focus is to assess the performances of the dynamic variants of eddy viscosity models, including dynamic Vreman's model (DVM), dynamic wall adapting local eddy viscosity (DWALE) model, dynamic σ (Dσ ) model, and the dynamic volumetric strain-stretching (DVSS) model, in this canonical flow. The results with dynamic Smagorinsky model (DSM) and direct numerical simulations (DNS) are used as references. Our results show that the DVM has a wrong asymptotic behavior in the near wall region, while the other three models can correctly predict it. In the high rotation case, the DWALE can get reliable mean velocity profile, but the turbulence intensities in the wall-normal and spanwise directions show clear deviations from DNS data. DVSS exhibits poor predictions on both the mean velocity profile and turbulence intensities. In all three cases, Dσ performs the best.

A Kinematic Survey in the Perseus Molecular Cloud: Results from the APOGEE Infrared Survey of Young Nebulous Clusters (IN-SYNC)

NASA Astrophysics Data System (ADS)

Covey, Kevin R.; Cottaar, M.; Foster, J. B.; Nidever, D. L.; Meyer, M.; Tan, J.; Da Rio, N.; Flaherty, K. M.; Stassun, K.; Frinchaboy, P. M.; Majewski, S.; APOGEE IN-SYNC Team

2014-01-01

Demographic studies of stellar clusters indicate that relatively few persist as bound structures for 100 Myrs or longer. If cluster dispersal is a 'violent' process, it could strongly influence the formation and early evolution of stellar binaries and planetary systems. Unfortunately, measuring the dynamical state of 'typical' (i.e., ~300-1000 member) young star clusters has been difficult, particularly for clusters still embedded within their parental molecular cloud. The near-infrared spectrograph for the Apache Point Observatory Galactic Evolution Experiment (APOGEE), which can measure precise radial velocities for 230 cluster stars simultaneously, is uniquely suited to diagnosing the dynamics of Galactic star formation regions. We give an overview of the INfrared Survey of Young Nebulous Clusters (IN-SYNC), an APOGEE ancillary science program that is carrying out a comparative study of young clusters in the Perseus molecular cloud: NGC 1333, a heavily embedded cluster, and IC 348, which has begun to disperse its surrounding molecular gas. These observations appear to rule out a significantly super-virial velocity dispersion in IC 348, contrary to predictions of models where a cluster's dynamics is strongly influenced by the dispersal of its primordial gas. We also summarize the properties of two newly identified spectroscopic binaries; binary systems such as these play a key role in the dynamical evolution of young clusters, and introduce velocity offsets that must be accounted for in measuring cluster velocity dispersions.

Analysis of the energy of the first four excited states of the ground-state rotational bands of the even-even nuclei from 6C8 to 56Ba90 with the model of a single cluster of nucleons revolving about a sphere.

PubMed Central

Pauling, L

1991-01-01

The results of the analysis of the first four energy levels of the ground-state rotational bands of even-even nuclei from 6C8 to 56Ba90 on the basis of the revolving-cluster model are reported. Values of the nucleon number of the revolving cluster are assigned on the basis in part of the shell model and in part of the expectation that the corresponding values of the radius of revolution would change only slightly from one energy level to an adjacent level or from one nucleus to an adjacent nucleus. The values of the radius of revolution are found to change gradually from about 5 to 6 fm for the lighter nuclei to 7 to 8 fm for the heavier nuclei in the sequence studied. PMID:11607232

Interaction of benzene thiol and thiolate with small gold clusters.

PubMed

Letardi, Sara; Cleri, Fabrizio

2004-06-01

We studied the interaction between benzene thiol and thiolate molecules, and gold clusters made of 1 to 3 atoms, by means of ab initio density functional theory in the local density approximation. We find that the thiolate is energetically more stable than the thiol, however the process of detachment of H from the thiol appears to be possibly mediated by the intermediate step of H chemisorption on Au. Cleavage of the S-H bond is accompanied by a 90 degrees rotation of the molecule around the S-Au bond, showing a strong steric specificity. Such a rotation is induced by the relative energy shift of the S atom p orbitals with respect to the benzene pi ring and the Au d orbitals. By analyzing the correlation of the bond energy, bond lengths, and HOMO-LUMO gap with the number of S-Au bonds, we find that the thiolate S atom appears to prefer a low-coordination condition on Au clusters. (c) 2004 American Institute of Physics.

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

Sule, Nishant; Yifat, Yuval; Gray, Stephen K.

We examine the formation and concomitant rotation of electrodynamically bound dimers (EBD) of 150nm diameter Ag nanoparticles trapped in circularly polarized focused Gaussian beams. The rotation frequency of an EBD increases linearly with the incident beam power, reaching high mean values of ~ 4kHz for a relatively low incident power of 14mW. Using a coupled-dipole/effective polarizability model, we reveal that retardation of the scattered fields and electrodynamic interactions can lead to a “negative torque” causing rotation of the EBD in the direction opposite to that of the circular polarization. This intriguing opposite-handed rotation due to negative torque is clearly demonstratedmore » using electrodynamics-Langevin dynamics simulations by changing particle separations and thus varying the retardation effects. Finally, negative torque is also demonstrated in experiments from statistical analysis of the EBD trajectories. These results demonstrate novel rotational dynamics of nanoparticles in optical matter using circular polarization and open a new avenue to control orientational dynamics through coupling to interparticle separation.« less

A deep x-ray survey of the Pleiades cluster and the B6-A3 main sequence stars in Orion

NASA Technical Reports Server (NTRS)

Caillault, Jean-Pierre

1993-01-01

We have obtained deep ROSAT images of three regions within the Pleiades open cluster. We have detected 317 X-ray sources in these ROSAT PSPC images, 171 of which we associate with certain probable members of the Pleiades cluster. We detect nearly all Pleiades members with spectral types later than G0 and within 25 arcminutes of our three field centers where our sensitivity is highest. This has allowed us to derive for the first time the luminosity function for the G, K, and M dwarfs of an open cluster without the need to use statistical techniques to account for the presence of upper limits in the data sample. Because of our high X-ray detection frequency down to the faint limit of the optical catalog, we suspect that some of our unidentified X-ray sources are previously unknown, very low-mass members of the Pleiades. A large fraction of the Pleiades members detected with ROSAT have published rotational velocities. Plots of L(sub x)/L(sub bol) versus spectroscopic rotational velocity show tightly correlated 'saturation' type relations for stars with (B - V)(sub O) greater than 0.60. For each of several color ranges, X-ray luminosities rise rapidly with increasing rotation rate until v sin i approximately equals 15 km/s, and then remain essentially flat for rotation rates up to at least v sin i approximately equal to 100 km/s. The dispersion in rotation among low-mass stars in the Pleiades is by far the dominant contributor to the dispersion in L(subx) at a given mass. Only about 35 percent of the B.A. and early F stars in the Pleiades are detected as X-ray sources in our survey. There is no correlation between X-ray flux and rotation for these stars. The X-ray luminosity function for the early-type Pleiades stars appears to be bimodal, with only a few exceptions. We either detect these stars at fluxes in the range found for low-mass stars or we derive X-ray limits below the level found for most Pleiades dwarfs. The X-ray spectra for the early-type Pleiades stars detected by ROSAT are indistinguishable from the spectra of the low-mass Pleiades members. We believe that the simple explanation for this behavior is that the early-type Pleiades stars are not themselves intrinsic X-ray sources and that the X-ray sources and that the X-ray emission actually arises from low-mass companions to these stars.

Concept design and cluster control of advanced space connectable intelligent microsatellite

NASA Astrophysics Data System (ADS)

Wang, Xiaohui; Li, Shuang; She, Yuchen

2017-12-01

In this note, a new type of advanced space connectable intelligent microsatellite is presented to extend the range of potential application of microsatellite and improve the efficiency of cooperation. First, the overall concept of the micro satellite cluster is described, which is characterized by autonomously connecting with each other and being able to realize relative rotation through the external interfaces. Second, the multi-satellite autonomous assembly algorithm and control algorithm of the cluster motion are developed to make the cluster system combine into a variety of configurations in order to achieve different types of functionality. Finally, the design of the satellite cluster system is proposed, and the possible applications are discussed.

Computing Dynamics Of A Robot Of 6+n Degrees Of Freedom

NASA Technical Reports Server (NTRS)

Quiocho, Leslie J.; Bailey, Robert W.

1995-01-01

Improved formulation speeds and simplifies computation of dynamics of robot arm of n rotational degrees of freedom mounted on platform having three translational and three rotational degrees of freedom. Intended for use in dynamical modeling of robotic manipulators attached to such moving bases as spacecraft, aircraft, vessel, or land vehicle. Such modeling important part of simulation and control of robotic motions.

Parallel processing for nonlinear dynamics simulations of structures including rotating bladed-disk assemblies

NASA Technical Reports Server (NTRS)

Hsieh, Shang-Hsien

1993-01-01

The principal objective of this research is to develop, test, and implement coarse-grained, parallel-processing strategies for nonlinear dynamic simulations of practical structural problems. There are contributions to four main areas: finite element modeling and analysis of rotational dynamics, numerical algorithms for parallel nonlinear solutions, automatic partitioning techniques to effect load-balancing among processors, and an integrated parallel analysis system.

Illuminating the star clusters and satellite galaxies with multi-scale baryonic simulations

NASA Astrophysics Data System (ADS)

Maji, Moupiya; Zhu, Qirong; Li, Yuexing; Marinacci, Federico; Charlton, Jane; Hernquist, Lars; Knebe, Alexander

2018-01-01

Over the past decade, advances in computational architecture have made it possible for the first time to investigate some of the fundamental questions around the formation, evolution and assembly of the building blocks of the universe; star clusters and galaxies. In this talk, I will focus on two major questions: What is the origin of the observed universal lognormal mass function in globular clusters? What is the statistical distribution of the properties of satellite planes in a large sample of satellite systems?Observations of globular clusters show that they have universal lognormal mass functions with a characteristic peak at 2X105 MSun, although the origin of this peaked distribution is unclear. We investigate the formation of star clusters in interacting galaxies using baryonic simulations and found that massive clusters preferentially form in extremely high pressure gas clouds which reside in highly shocked regions produced by galaxy interactions. These massive clusters have quasi-lognormal initial mass functions with a peak around ~106MSun which may survive dynamical evolution and slowly evolve into the universal lognormal profiles observed today.The classical Milky Way (MW) satellites are observed to be distributed in a highly-flattened plane, called Disk of Satellites (DoS). However the significance, coherence and origin of DoS is highly debated. To understand this, we first analyze all MW satellites and find that a small sample size can artificially produce a highly anisotropic spatial distribution and a strong clustering of their angular momentum. Comparing a baryonic simulation of a MW-sized galaxy with its N-body counterpart we find that an anisotropic DoS can originate from baryonic processes. Furthermore, we explore the statistical distribution of DoS properties by analyzing 2591 satellite systems in the cosmological hydrodynamic simulation Illustris. We find that the DoS becomes more isotropic with increasing sample sizes and most (~90%) satellite systems have no clear coherent rotation. Their overall evolution indicate that the DoS may be part of large scale filamentary structure. Our results show that baryonic processes may be the key to solve many long standing theoretical problems.

Growth properties of protoplanetary dust in a long-term microgravity experiment

NASA Astrophysics Data System (ADS)

Brisset, Julie; Kothe, Stefan; Weidling, Rene; Heisselmann, Daniel; Blum, Juergen

2014-11-01

In the very first steps of the formation of a new planetary system, dust agglomerates and grows inside the protoplanetary disk that rotates around the newly formed star. In this disk, collisions between the dust particles, induced by interactions with the surrounding gas, lead to sticking. Aggregates start growing until their sizes and relative velocities are high enough for collisions to result in bouncing or fragmentation. As part of a series of microgravity experiments aiming at the investigation of the transitions between sticking, bouncing and fragmentation of colliding dust aggregates, the Suborbital Particle and Aggregation Experiment (SPACE) was designed, built and operated both at the drop tower in Bremen (August 2011) and on the REXUS 12 suborbital rocket (March 2012). The SPACE experiment allowed for the observation of collisions between aggregates of sizes of a few 100 µm that were composed of SiO2, a commonly used protoplanetary dust analog material. At velocities below 10 cm/s, clusters composed of a high number of aggregates (more than 10^4) formed and grew to sizes of up to 5 mm. The analysis of these collisions delivered valuable input to a current dust collision model, which maps the outcome of collisions depending on the aggregate sizes and their relative velocities. The sticking probability of sub-mm-sized dust aggregates could directly be measured during the suborbital rocket flight, over a velocity range covering the transition between the sticking and bouncing regimes. In addition, the evolution of clusters formed from sub-mm-sized aggregates during the different experiments could be observed and some of their intrinsic properties derived. The measured characteristics were the cluster fractal dimensions, the tensile strength of their outer aggregate layer and the effective surface energy of their constituents. Threshold energies for cluster restructuring and fragmentation could also be determined. All these cluster properties are important input parameters for molecular dynamics or numerical simulations investigating the behavior of macroscopic clusters (>1 mm in size) in protoplanetary disks.

Wide-field Precision Kinematics of the M87 Globular Cluster System

NASA Astrophysics Data System (ADS)

Strader, Jay; Romanowsky, Aaron J.; Brodie, Jean P.; Spitler, Lee R.; Beasley, Michael A.; Arnold, Jacob A.; Tamura, Naoyuki; Sharples, Ray M.; Arimoto, Nobuo

2011-12-01

We present the most extensive combined photometric and spectroscopic study to date of the enormous globular cluster (GC) system around M87, the central giant elliptical galaxy in the nearby Virgo Cluster. Using observations from DEIMOS and the Low Resolution Imaging Spectrometer at Keck, and Hectospec on the Multiple Mirror Telescope, we derive new, precise radial velocities for 451 GCs around M87, with projected radii from ~5 to 185 kpc. We combine these measurements with literature data for a total sample of 737 objects, which we use for a re-examination of the kinematics of the GC system of M87. The velocities are analyzed in the context of archival wide-field photometry and a novel Hubble Space Telescope catalog of half-light radii, which includes sizes for 344 spectroscopically confirmed clusters. We use this unique catalog to identify 18 new candidate ultracompact dwarfs and to help clarify the relationship between these objects and true GCs. We find much lower values for the outer velocity dispersion and rotation of the GC system than in earlier papers and also differ from previous work in seeing no evidence for a transition in the inner halo to a potential dominated by the Virgo Cluster, nor for a truncation of the stellar halo. We find little kinematical evidence for an intergalactic GC population. Aided by the precision of the new velocity measurements, we see significant evidence for kinematical substructure over a wide range of radii, indicating that M87 is in active assembly. A simple, scale-free analysis finds less dark matter within ~85 kpc than in other recent work, reducing the tension between X-ray and optical results. In general, out to a projected radius of ~150 kpc, our data are consistent with the notion that M87 is not dynamically coupled to the Virgo Cluster; the core of Virgo may be in the earliest stages of assembly.

Generalization of Rindler Potential at Cluster Scales in Randers-Finslerian Spacetime: a Possible Explanation of the Bullet Cluster 1E0657-558?

NASA Astrophysics Data System (ADS)

Chang, Zhe; Li, Ming-Hua; Lin, Hai-Nan; Li, Xin

2012-12-01

The data of the Bullet Cluster 1E0657-558 released on November 15, 2006 reveal that the strong and weak gravitational lensing convergence κ-map has an 8σ offset from the Σ-map. The observed Σ-map is a direct measurement of the surface mass density of the Intracluster medium (ICM) gas. It accounts for 83% of the averaged mass-fraction of the system. This suggests a modified gravity theory at large distances different from Newton's inverse-square gravitational law. In this paper, as a cluster scale generalization of Grumiller's modified gravity model (Phys. Rev. Lett.105 (2010) 211303), we present a gravity model with a generalized linear Rindler potential in Randers-Finslerian spacetime without invoking any dark matter. The galactic limit of the model is qualitatively consistent with the MOND and Grumiller's. It yields approximately the flatness of the rotational velocity profile at the radial distance of several kpcs and gives the velocity scales for spiral galaxies at which the curves become flattened. Plots of convergence κ for a galaxy cluster show that the peak of the gravitational potential has chances to lie on the outskirts of the baryonic mass center. Assuming an isotropic and isothermal ICM gas profile with temperature T = 14.8 keV (which is the center value given by observations), we obtain a good match between the dynamical mass MT of the main cluster given by collisionless Boltzmann equation and that given by the King β-model. We also consider a Randers+dark matter scenario and a Λ-CDM model with the NFW dark matter distribution profile. We find that a mass ratio η between dark matter and baryonic matter about 6 fails to reproduce the observed convergence κ-map for the isothermal temperature T taking the observational center value.

Design of Nano Screw Pump for Water Transport and its Mechanisms

PubMed Central

Wang, LiYa; Wu, HengAn; Wang, FengChao

2017-01-01

Nanopumps conducting fluids through nanochannels have attracted considerable interest for their potential applications in nanofiltration, water desalination and drug delivery. Here, we demonstrate by molecular dynamics (MD) simulations that a nano screw pump is designed with helical nanowires embedded in a nanochannel, which can be used to drive unidirectional water flow. Such helical nanowires have been successfully synthesized in many experiments. By investigating the water transport mechanism through nano screw pumps with different configuration parameters, three transport modes were observed: cluster-by-cluster, pseudo-continuous, and linear-continuous, in which the water flux increases linearly with the rotating speed. The influences of the nanowires’ surface energy and the screw’s diameter on water transport were also investigated. Results showed that the water flux rate increases as the decreasing wettability of helical nanowires. The deviation in water flux in screw pumps with smaller radius is attributed to the weak hydrogen bonding due to space confinement and the hydrophobic blade. Moreover, we also proposed that such screw pumps with appropriate diameter and screw pitch can be used for water desalination. The study provides an insight into the design of multifunctional nanodevices for not only water transport but water desalination in practical applications. PMID:28155898

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

Bazante, Alexandre P., E-mail: abazante@chem.ufl.edu; Bartlett, Rodney J.; Davidson, E. R.

The benzene radical anion is studied with ab initio coupled-cluster theory in large basis sets. Unlike the usual assumption, we find that, at the level of theory investigated, the minimum energy geometry is non-planar with tetrahedral distortion at two opposite carbon atoms. The anion is well known for its instability to auto-ionization which poses computational challenges to determine its properties. Despite the importance of the benzene radical anion, the considerable attention it has received in the literature so far has failed to address the details of its structure and shape-resonance character at a high level of theory. Here, we examinemore » the dynamic Jahn-Teller effect and its impact on the anion potential energy surface. We find that a minimum energy geometry of C{sub 2} symmetry is located below one D{sub 2h} stationary point on a C{sub 2h} pseudo-rotation surface. The applicability of standard wave function methods to an unbound anion is assessed with the stabilization method. The isotropic hyperfine splitting constants (A{sub iso}) are computed and compared to data obtained from experimental electron spin resonance experiments. Satisfactory agreement with experiment is obtained with coupled-cluster theory and large basis sets such as cc-pCVQZ.« less

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

Park, Hong Soo; Lee, Myung Gyoon, E-mail: hspark@astro.snu.ac.kr, E-mail: mglee@astro.snu.ac.kr

We present a determination of the two-dimensional shape parameters of the blue and red globular cluster systems (GCSs) in a large number of elliptical galaxies and lenticular galaxies (early-type galaxies, called ETGs). We use a homogeneous data set of the globular clusters in 23 ETGs obtained from the HST/ACS Virgo Cluster Survey. The position angles of both blue and red GCSs show a correlation with those of the stellar light distribution, showing that the major axes of the GCSs are well aligned with those of their host galaxies. However, the shapes of the red GCSs show a tight correlation withmore » the stellar light distribution as well as with the rotation property of their host galaxies, while the shapes of the blue GCSs do much less. These provide clear geometric evidence that the origins of the blue and red globular clusters are distinct and that ETGs may have dual halos: a blue (metal-poor) halo and a red (metal-rich) halo. These two halos show significant differences in metallicity, structure, and kinematics, indicating that they are formed in two distinguishable ways. The red halos might have formed via dissipational processes with rotation, while the blue halos are through accretion.« less