An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids.

PubMed

Dahlberg, Jerry; Tkacik, Peter T; Mullany, Brigid; Fleischhauer, Eric; Shahinian, Hossein; Azimi, Farzad; Navare, Jayesh; Owen, Spencer; Bisel, Tucker; Martin, Tony; Sholar, Jodie; Keanini, Russell G

2017-12-04

An analog, macroscopic method for studying molecular-scale hydrodynamic processes in dense gases and liquids is described. The technique applies a standard fluid dynamic diagnostic, particle image velocimetry (PIV), to measure: i) velocities of individual particles (grains), extant on short, grain-collision time-scales, ii) velocities of systems of particles, on both short collision-time- and long, continuum-flow-time-scales, iii) collective hydrodynamic modes known to exist in dense molecular fluids, and iv) short- and long-time-scale velocity autocorrelation functions, central to understanding particle-scale dynamics in strongly interacting, dense fluid systems. The basic system is composed of an imaging system, light source, vibrational sensors, vibrational system with a known media, and PIV and analysis software. Required experimental measurements and an outline of the theoretical tools needed when using the analog technique to study molecular-scale hydrodynamic processes are highlighted. The proposed technique provides a relatively straightforward alternative to photonic and neutron beam scattering methods traditionally used in molecular hydrodynamic studies.

Molecular processes in a high temperature shock layer

NASA Technical Reports Server (NTRS)

Guberman, S. L.

1984-01-01

Models of the shock layer encountered by an Aeroassisted Orbital Transfer Vehicle require as input accurate cross sections and rate constants for the atomic and molecular processes that characterize the shock radiation. From the estimated atomic and molecular densities in the shock layer and the expected residence time of 1 m/s, it can be expected that electron-ion collision processes will be important in the shock model. Electron capture by molecular ions followed by dissociation, e.g., O2(+) + e(-) yields 0 + 0, can be expected to be of major importance since these processes are known to have high rates (e.g., 10 to the -7th power cu/cm/sec) at room temperature. However, there have been no experimental measurements of dissociative recombination (DR) at temperatures ( 12000K) that are expected to characterize the shock layer. Indeed, even at room temperature, it is often difficult to perform experiments that determine the dependence of the translational energy and quantum yields of the product atoms on the electronic and vibrational state of the reactant molecular ions. Presented are ab initio quantum chemical studies of DR for molecular ions that are likely to be important in the atmospheric shock layer.

Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation

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

Larriba, Carlos, E-mail: clarriba@umn.edu; Hogan, Christopher J.

2013-10-15

The structures of nanoparticles, macromolecules, and molecular clusters in gas phase environments are often studied via measurement of collision cross sections. To directly compare structure models to measurements, it is hence necessary to have computational techniques available to calculate the collision cross sections of structural models under conditions matching measurements. However, presently available collision cross section methods contain the underlying assumption that collision between gas molecules and structures are completely elastic (gas molecule translational energy conserving) and specular, while experimental evidence suggests that in the most commonly used background gases for measurements, air and molecular nitrogen, gas molecule reemission ismore » largely inelastic (with exchange of energy between vibrational, rotational, and translational modes) and should be treated as diffuse in computations with fixed structural models. In this work, we describe computational techniques to predict the free molecular collision cross sections for fixed structural models of gas phase entities where inelastic and non-specular gas molecule reemission rules can be invoked, and the long range ion-induced dipole (polarization) potential between gas molecules and a charged entity can be considered. Specifically, two calculation procedures are described detail: a diffuse hard sphere scattering (DHSS) method, in which structures are modeled as hard spheres and collision cross sections are calculated for rectilinear trajectories of gas molecules, and a diffuse trajectory method (DTM), in which the assumption of rectilinear trajectories is relaxed and the ion-induced dipole potential is considered. Collision cross section calculations using the DHSS and DTM methods are performed on spheres, models of quasifractal aggregates of varying fractal dimension, and fullerene like structures. Techniques to accelerate DTM calculations by assessing the contribution of grazing gas

Hyperfine excitation of CH in collisions with atomic and molecular hydrogen

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-04-01

We investigate here the excitation of methylidene (CH) induced by collisions with atomic and molecular hydrogen (H and H2). The hyperfine-resolved rate coefficients were obtained from close coupling nuclear-spin-free scattering calculations. The calculations are based upon recent, high-accuracy calculations of the CH(X2Π)-H(2S) and CH(X2Π)-H2 potential energy surfaces. Cross-sections and rate coefficients for collisions with atomic H, para-H2, and ortho-H2 were computed for all transitions between the 32 hyperfine levels for CH(X2Π) involving the n ≤ 4 rotational levels for temperatures between 10 and 300 K. These rate coefficients should significantly aid in the interpretation of astronomical observations of CH spectra. As a first application, the excitation of CH is simulated for conditions in typical molecular clouds.

Dissociation and Internal Excitation of Molecular Nitrogen Due to N + N2 Collisions Using Direct Molecular Simulation

NASA Technical Reports Server (NTRS)

Grover, Maninder S.; Schwartzentruber, Thomas E.; Jaffe, Richard L.

2017-01-01

In this work we present a molecular level study of N2+N collisions, focusing on excitation of internal energy modes and non-equilibrium dissociation. The computation technique used here is the direct molecular simulation (DMS) method and the molecular interactions have been modeled using an ab-initio potential energy surface (PES) developed at NASA's Ames Research Center. We carried out vibrational excitation calculations between 5000K and 30000K and found that the characteristic vibrational excitation time for the N + N2 process was an order of magnitude lower than that predicted by the Millikan and White correlation. It is observed that during vibrational excitation the high energy tail of the vibrational energy distribution gets over populated first and the lower energy levels get populated as the system evolves. It is found that the non-equilibrium dissociation rate coefficients for the N + N2 process are larger than those for the N2 + N2 process. This is attributed to the non-equilibrium vibrational energy distributions for the N + N2 process being less depleted than that for the N2 +N2 process. For an isothermal simulation we find that the probability of dissociation goes as 1/T(sub tr) for molecules with internal energy (epsilon(sub int)) less than approximately 9.9eV, while for molecules with epsilon (sub int) greater than 9.9eV the dissociation probability was weakly dependent on translational temperature of the system. We compared non-equilibrium dissociation rate coefficients and characteristic vibrational excitation times obtained by using the ab-initio PES developed at NASA's Ames Research Center to those obtained by using an ab-initio PES developed at the University of Minnesota. Good agreement was found between the macroscopic properties and molecular level description of the system obtained by using the two PESs.

Two-dimensional model of resonant electron collisions with diatomic molecules and molecular cations

NASA Astrophysics Data System (ADS)

Vana, Martin; Hvizdos, David; Houfek, Karel; Curik, Roman; Greene, Chris H.; Rescigno, Thomas N.; McCurdy, C. William

2016-05-01

A simple model for resonant collisions of electrons with diatomic molecules with one electronic and one nuclear degree of freedom (2D model) which was solved numerically exactly within the time-independent approach was used to probe the local complex potential approximation and nonlocal approximation to nuclear dynamics of these collisions. This model was reformulated in the time-dependent picture and extended to model also electron collisions with molecular cations, especially with H2+.This model enables an assessment of approximate methods, such as the boomerang model or the frame transformation theory. We will present both time-dependent and time-independent results and show how we can use the model to extract deeper insight into the dynamics of the resonant collisions.

Positronium collisions with molecular nitrogen

NASA Astrophysics Data System (ADS)

Wilde, R. S.; Fabrikant, I. I.

2018-05-01

For many atomic and molecular targets positronium (Ps) scattering looks very similar to electron scattering if total scattering cross sections are plotted as functions of the projectile velocity. Recently this similarity was observed for the resonant scattering by the N2 molecule. For correct treatment of Ps-molecule scattering incorporation of the exchange interaction and short-range correlations is of paramount importance. In the present work we have used a free-electron-gas model to describe these interactions in collisions of Ps with the N2 molecule. The results agree reasonably well with the experiment, but the position of the resonance is somewhat shifted towards lower energies, probably due to the fixed-nuclei approximation employed in the calculations. The partial-wave analysis of the resonant peak shows that its composition is more complex than in the case of e -N2 scattering.

Processes in continental collision zones: Preface

NASA Astrophysics Data System (ADS)

Zheng, Yong-Fei; Zhang, Lifei; McClelland, William C.; Cuthbert, Simon

2012-04-01

Formation and exhumation of high-pressure (HP) to ultrahigh-pressure (UHP) metamorphic rocks in continental subduction zones are the two fundamental geodynamic aspects of collisional orogensis. This volume is based on the Session 08c titled "Geochemical processes in continental collision zones" at Goldschmidt 2010 in Knoxville, USA. It focuses on micro- to macro-scale processes that are temporally and spatially linked to different depths of crustal subduction/exhumation and associated mineralogical changes. They are a key to understanding a wide spectrum of phenomena, involving HP/UHP metamorphism and syn-/post-collisional magmatism. Papers in this volume report progresses in petrological, geochronological and geochemical studies of UHP metamorphic rocks and their derivatives in China, with tectonic settings varying from arc-continent collision to continent-continent collision. Microbeam in-situ analyses of metamorphic and magmatic minerals are successfully utilized to solve various problems in the study of continental deep subduction and UHP metamorphism. In addition to their geochronological applications to dating of HP to UHP metamorphic events during continental collision, microbeam techniques have also served as an efficient means to recognize different generations of mineral growth during continental subduction-zone metamorphism. Furthermore, metamorphic dehydration and partial melting of UHP metamorphic rocks during subduction and exhumation are highlighted with respect to their effects on fluid action and element mobilization. These have provided new insights into chemical geodynamics in continental subduction zones.

Towards the simulation of molecular collisions with a superconducting quantum computer

NASA Astrophysics Data System (ADS)

Geller, Michael

2013-05-01

I will discuss the prospects for the use of large-scale, error-corrected quantum computers to simulate complex quantum dynamics such as molecular collisions. This will likely require millions qubits. I will also discuss an alternative approach [M. R. Geller et al., arXiv:1210.5260] that is ideally suited for today's superconducting circuits, which uses the single-excitation subspace (SES) of a system of n tunably coupled qubits. The SES method allows many operations in the unitary group SU(n) to be implemented in a single step, bypassing the need for elementary gates, thereby making large computations possible without error correction. The method enables universal quantum simulation, including simulation of the time-dependent Schrodinger equation, and we argue that a 1000-qubit SES processor should be capable of achieving quantum speedup relative to a petaflop supercomputer. We speculate on the utility and practicality of such a simulator for atomic and molecular collision physics. Work supported by the US National Science Foundation CDI program.

Cold Collisions in a Molecular Synchrotron

NASA Astrophysics Data System (ADS)

van der Poel, Aernout P. P.; Zieger, Peter C.; van de Meerakker, Sebastiaan Y. T.; Loreau, Jérôme; van der Avoird, Ad; Bethlem, Hendrick L.

2018-01-01

We study collisions between neutral, deuterated ammonia molecules (ND3 ) stored in a 50 cm diameter synchrotron and argon atoms in copropagating supersonic beams. The advantages of using a synchrotron in collision studies are twofold: (i) By storing ammonia molecules many round-trips, the sensitivity to collisions is greatly enhanced; (ii) the collision partners move in the same direction as the stored molecules, resulting in low collision energies. We tune the collision energy in three different ways: by varying the velocity of the stored ammonia packets, by varying the temperature of the pulsed valve that releases the argon atoms, and by varying the timing between the supersonic argon beam and the stored ammonia packets. These give consistent results. We determine the relative, total, integrated cross section for ND3+Ar collisions in the energy range of 40 - 140 cm-1 , with a resolution of 5 - 10 cm-1 and an uncertainty of 7%-15%. Our measurements are in good agreement with theoretical scattering calculations.

Metastability of isoformyl ions in collisions with helium and hydrogen. [in interstellar molecular clouds

NASA Technical Reports Server (NTRS)

Green, S.

1984-01-01

The stability of HOC(+) ions under conditions in interstellar molecular clouds is considered. In particular, the possibility that collisions with helium or hydrogen will induce isomerization to the stable HCO(+) form is examined theoretically. Portions of the electronic potential energy surfaces for interaction with He and H atoms are obtained from standard quantum mechanical calculations. Collisions with He atoms are found to be totally ineffective for inducing isomerization. Collisions with H atoms are found to be ineffective at low interstellar temperatures owing to a small (about 500 K) barrier in the entrance channel; at higher temperatures where this barrier can be overcome, however, collisions with hydrogen atoms do result in conversion to the stable HCO(+) form. Although detailed calculations are not presented, it is argued that low-energy collisions with H2 molecules are also ineffective in destroying the metastable ion.

Many-electron aspects of molecular promotion in ion-atom collisions - Production of core-excited states of Li in Li/+/-He collisions

NASA Technical Reports Server (NTRS)

Elston, S. B.; Vane, C. R.; Schumann, S.

1979-01-01

Production of core-excited autoionizing states of neutral Li having configurations of the form 1snln(prime)l(prime) has been observed over the impact-energy range from 10-50 keV. Although the results for production of all such states is remarkably consistent with a quasi-molecular-excitation model proposed by Stolterfoht and Leithaeuser (1976), production of individual lines in the observed spectra exhibits collision-velocity dependencies indicative of considerably more complex processes, including processes which appear to be inherently two-electron in nature. Excitation functions are presented for (1s2s/2/)/2/S, 1s(2s2p/3/P)/2/P, 1s(2s2p/1/P)/2/P, and (1s2p/2/)/2/D core-excited state of Li and for total core excitation.

Spectroscopic properties of the molecular ions BeX+ (X=Na, K, Rb): forming cold molecular ions from an ion-atom mixture by stimulated Raman adiabatic process

NASA Astrophysics Data System (ADS)

Ladjimi, Hela; Sardar, Dibyendu; Farjallah, Mohamed; Alharzali, Nisrin; Naskar, Somnath; Mlika, Rym; Berriche, Hamid; Deb, Bimalendu

2018-07-01

In this theoretical work, we calculate potential energy curves, spectroscopic parameters and transition dipole moments of molecular ions BeX+ (X=Na, K, Rb) composed of alkaline ion Be and alkali atom X with a quantum chemistry approach based on the pseudopotential model, Gaussian basis sets, effective core polarisation potentials and full configuration interaction. We study in detail collisions of the alkaline ion and alkali atom in quantum regime. Besides, we study the possibility of the formation of molecular ions from the ion-atom colliding systems by stimulated Raman adiabatic process and discuss the parameters regime under which the population transfer is feasible. Our results are important for ion-atom cold collisions and experimental realisation of cold molecular ion formation.

Physical re-examination of parameters on a molecular collisions-based diffusion model for diffusivity prediction in polymers.

PubMed

Ohashi, Hidenori; Tamaki, Takanori; Yamaguchi, Takeo

2011-12-29

Molecular collisions, which are the microscopic origin of molecular diffusive motion, are affected by both the molecular surface area and the distance between molecules. Their product can be regarded as the free space around a penetrant molecule defined as the "shell-like free volume" and can be taken as a characteristic of molecular collisions. On the basis of this notion, a new diffusion theory has been developed. The model can predict molecular diffusivity in polymeric systems using only well-defined single-component parameters of molecular volume, molecular surface area, free volume, and pre-exponential factors. By consideration of the physical description of the model, the actual body moved and which neighbor molecules are collided with are the volume and the surface area of the penetrant molecular core. In the present study, a semiempirical quantum chemical calculation was used to calculate both of these parameters. The model and the newly developed parameters offer fairly good predictive ability. © 2011 American Chemical Society

Application of JAERI quantum molecular dynamics model for collisions of heavy nuclei

NASA Astrophysics Data System (ADS)

Ogawa, Tatsuhiko; Hashimoto, Shintaro; Sato, Tatsuhiko; Niita, Koji

2016-06-01

The quantum molecular dynamics (QMD) model incorporated into the general-purpose radiation transport code PHITS was revised for accurate prediction of fragment yields in peripheral collisions. For more accurate simulation of peripheral collisions, stability of the nuclei at their ground state was improved and the algorithm to reject invalid events was modified. In-medium correction on nucleon-nucleon cross sections was also considered. To clarify the effect of this improvement on fragmentation of heavy nuclei, the new QMD model coupled with a statistical decay model was used to calculate fragment production cross sections of Ag and Au targets and compared with the data of earlier measurement. It is shown that the revised version can predict cross section more accurately.

Data Collision Prevention with Overflow Hashing Technique in Closed Hash Searching Process

NASA Astrophysics Data System (ADS)

Rahim, Robbi; Nurjamiyah; Rafika Dewi, Arie

2017-12-01

Hash search is a method that can be used for various search processes such as search engines, sorting, machine learning, neural network and so on, in the search process the possibility of collision data can happen and to prevent the occurrence of collision can be done in several ways one of them is to use Overflow technique, the use of this technique perform with varying length of data and this technique can prevent the occurrence of data collisions.

Theory of molecular rate processes in the presence of intense laser radiation

NASA Technical Reports Server (NTRS)

George, T. F.; Zimmerman, I. H.; Devries, P. L.; Yuan, J.-M.; Lam, K.-S.; Bellum, J. C.; Lee, H.-W.; Slutsky, M. S.; Lin, J.-T.

1979-01-01

The present paper deals with the influence of intense laser radiation on gas-phase molecular rate processes. Representations of the radiation field, the particle system, and the interaction involving these two entities are discussed from a general rather than abstract point of view. The theoretical methods applied are outlined, and the formalism employed is illustrated by application to a variety of specific processes. Quantum mechanical and semiclassical treatments of representative atom-atom and atom-diatom collision processes in the presence of a field are examined, and examples of bound-continuum processes and heterogeneous catalysis are discussed within the framework of both quantum-mechanical and semiclassical theories.

Numerical analysis of effects of ion-neutral collision processes on RF ICP discharge

NASA Astrophysics Data System (ADS)

Nishida, K.; Mattei, S.; Lettry, J.; Hatayama, A.

2018-01-01

The discharge process of a radiofrequency (RF) inductively coupled plasma (ICP) has been modeled by an ElectroMagnetic Particle-in-Cell Monte Carlo Collision method (EM PIC-MCC). Although the simulation had been performed by our previous model to investigate the discharge mode transition of the RF ICP from a kinetic point of view, the model neglected the collision processes of ions (H+ and H2+) with neutral particles. In this study, the RF ICP discharge process has been investigated by the latest version of the model which takes the ion-neutral collision processes into account. The basic characteristics of the discharge mode transition provided by the previous model have been verified by the comparison between the previous and present results. As for the H-mode discharge regime, on the other hand, the ion-neutral collisions play an important role in evaluating the growth of the plasma. Also, the effect of the ion-neutral collisions on the kinetic feature of the plasma has been investigated, which has highlighted the importance of kinetic perspective for modeling the RF ICP discharge.

Reactive collisions of electrons with H2+ , HD+, BeH+, BeD+ and SH+

NASA Astrophysics Data System (ADS)

Pop, Nicolina; Iacob, Felix; Mezei, János Zsolt; Motapon, Ousmanou; Niyonzima, Sebastien; Kashinski, David O.; Talbi, Dahbia; Hickman, Albert Peet; Schneider, Ioan F.

2017-12-01

In numerous cold ionized gases the dissociative recombination (DR), the elastic collisions (EC), the vibrational excitation (VE) (inelastic collisions) and the vibrational de-excitation (VdE) (super-elastic collisions) of molecular cations with electrons are major elementary processes. Using a stepwise method based on the Multichannel Quantum Defect Theory (MQDT), cross sections and rate coefficients have been obtained for reactions induced on HD+, H2+, BeH+, BeD+ and SH+. Moreover, the relative importance of the different reaction mechanisms, direct vs. indirect and rotational vs. non-rotational, have been studied for these molecular systems.

Collinear Collision Chemistry: 1. A Simple Model for Inelastic and Reactive Collision Dynamics

ERIC Educational Resources Information Center

Mahan, Bruce H.

1974-01-01

Discusses a model for the collinear collision of an atom with a diatomic molecule on a simple potential surface. Indicates that the model can provide a framework for thinking about molecular collisions and reveal many factors which affect the dynamics of reactive and inelastic collisions. (CC)

Automatic Tool Selection in V-bending Processes by Using an Intelligent Collision Detection Algorithm

NASA Astrophysics Data System (ADS)

Salem, A. A.

2017-09-01

V-bending is widely used to produce the sheet metal components. There are global Changes in the shape of the sheet metal component during progressive bending processes. Accordingly, collisions may be occurred between part and tool during bending. Collision-free is considered one of the feasibility conditions of V-bending process planning which the tool selection is verified by the absence of the collisions. This paper proposes an intelligent collision detection algorithm which has the ability to distinguish between 2D bent parts and the other bent parts. Due to this ability, 2D and 3D collision detection subroutines have been developed in the proposed algorithm. This division of algorithm’s subroutines could reduce the computational operations during collisions detecting.

Molecular vibrational states during a collision

NASA Technical Reports Server (NTRS)

Recamier, Jose A.; Jauregui, Rocio

1995-01-01

Alternative algebraic techniques to approximate a given Hamiltonian by a harmonic oscillator are described both for time-independent and time-dependent systems. We apply them to the description of a one dimensional atom-diatom collision. From the resulting evolution operator, we evaluate vibrational transition probabilities as well as other time-dependent properties. As expected, the ground vibrational state becomes a squeezed state during the collision.

RCW 36 in the Vela Molecular Ridge: Evidence for high-mass star-cluster formation triggered by cloud-cloud collision

NASA Astrophysics Data System (ADS)

Sano, Hidetoshi; Enokiya, Rei; Hayashi, Katsuhiro; Yamagishi, Mitsuyoshi; Saeki, Shun; Okawa, Kazuki; Tsuge, Kisetsu; Tsutsumi, Daichi; Kohno, Mikito; Hattori, Yusuke; Yoshiike, Satoshi; Fujita, Shinji; Nishimura, Atsushi; Ohama, Akio; Tachihara, Kengo; Torii, Kazufumi; Hasegawa, Yutaka; Kimura, Kimihiro; Ogawa, Hideo; Wong, Graeme F.; Braiding, Catherine; Rowell, Gavin; Burton, Michael G.; Fukui, Yasuo

2018-02-01

A collision between two molecular clouds is one possible candidate for high-mass star formation. The H II region RCW 36, located in the Vela molecular ridge, contains a young star cluster (˜ 1 Myr old) and two O-type stars. We present new CO observations of RCW 36 made with NANTEN2, Mopra, and ASTE using 12CO(J = 1-0, 2-1, 3-2) and 13CO(J = 2-1) emission lines. We have discovered two molecular clouds lying at the velocities VLSR ˜ 5.5 and 9 km s-1. Both clouds are likely to be physically associated with the star cluster, as verified by the good spatial correspondence among the two clouds, infrared filaments, and the star cluster. We also found a high intensity ratio of ˜ 0.6-1.2 for CO J = 3-2/1-0 toward both clouds, indicating that the gas temperature has been increased due to heating by the O-type stars. We propose that the O-type stars in RCW 36 were formed by a collision between the two clouds, with a relative velocity separation of 5 km s-1. The complementary spatial distributions and the velocity separation of the two clouds are in good agreement with observational signatures expected for O-type star formation triggered by a cloud-cloud collision. We also found a displacement between the complementary spatial distributions of the two clouds, which we estimate to be 0.3 pc assuming the collision angle to be 45° relative to the line-of-sight. We estimate the collision timescale to be ˜ 105 yr. It is probable that the cluster age found by Ellerbroek et al. (2013b, A&A, 558, A102) is dominated by the low-mass members which were not formed under the triggering by cloud-cloud collision, and that the O-type stars in the center of the cluster are explained by the collisional triggering independently from the low-mass star formation.

RCW 36 in the Vela Molecular Ridge: Evidence for high-mass star-cluster formation triggered by cloud-cloud collision

NASA Astrophysics Data System (ADS)

Sano, Hidetoshi; Enokiya, Rei; Hayashi, Katsuhiro; Yamagishi, Mitsuyoshi; Saeki, Shun; Okawa, Kazuki; Tsuge, Kisetsu; Tsutsumi, Daichi; Kohno, Mikito; Hattori, Yusuke; Yoshiike, Satoshi; Fujita, Shinji; Nishimura, Atsushi; Ohama, Akio; Tachihara, Kengo; Torii, Kazufumi; Hasegawa, Yutaka; Kimura, Kimihiro; Ogawa, Hideo; Wong, Graeme F.; Braiding, Catherine; Rowell, Gavin; Burton, Michael G.; Fukui, Yasuo

2018-05-01

A collision between two molecular clouds is one possible candidate for high-mass star formation. The H II region RCW 36, located in the Vela molecular ridge, contains a young star cluster (˜ 1 Myr old) and two O-type stars. We present new CO observations of RCW 36 made with NANTEN2, Mopra, and ASTE using 12CO(J = 1-0, 2-1, 3-2) and 13CO(J = 2-1) emission lines. We have discovered two molecular clouds lying at the velocities VLSR ˜ 5.5 and 9 km s-1. Both clouds are likely to be physically associated with the star cluster, as verified by the good spatial correspondence among the two clouds, infrared filaments, and the star cluster. We also found a high intensity ratio of ˜ 0.6-1.2 for CO J = 3-2/1-0 toward both clouds, indicating that the gas temperature has been increased due to heating by the O-type stars. We propose that the O-type stars in RCW 36 were formed by a collision between the two clouds, with a relative velocity separation of 5 km s-1. The complementary spatial distributions and the velocity separation of the two clouds are in good agreement with observational signatures expected for O-type star formation triggered by a cloud-cloud collision. We also found a displacement between the complementary spatial distributions of the two clouds, which we estimate to be 0.3 pc assuming the collision angle to be 45° relative to the line-of-sight. We estimate the collision timescale to be ˜ 105 yr. It is probable that the cluster age found by Ellerbroek et al. (2013b, A&A, 558, A102) is dominated by the low-mass members which were not formed under the triggering by cloud-cloud collision, and that the O-type stars in the center of the cluster are explained by the collisional triggering independently from the low-mass star formation.

Atomic data on inelastic processes in low-energy manganese-hydrogen collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Voronov, Yaroslav V.

2017-10-01

Aims: The aim of this paper is to calculate cross sections and rate coefficients for inelastic processes in low-energy Mn + H and Mn+ + H- collisions, especially, for processes with high and moderate rate coefficients. These processes are required for non-local thermodynamic equilibrium (non-LTE) modeling of manganese spectra in cool stellar atmospheres, and in particular, for metal-poor stars. Methods: The calculations of the cross sections and the rate coefficients were performed by means of the quantum model approach within the framework of the Born-Oppenheimer formalism, that is, the asymptotic semi-empirical method for the electronic MnH molecular structure calculation followed by the nonadiabatic nuclear dynamical calculation by means of the multichannel analytic formulas. Results: The cross sections and the rate coefficients for low-energy inelastic processes in manganese-hydrogen collisions are calculated for all transitions between 21 low-lying covalent states and one ionic state. We show that the highest values of the cross sections and the rate coefficients correspond to the mutual neutralization processes into the final atomic states Mn(3d54s(7S)5s e 6S), Mn(3d54s(7S)5p y 8P°), Mn(3d54s(7S)5s e 8S), Mn(3d54s(7S)4d e 8D) [the first group], the processes with the rate coefficients (at temperature T = 6000 K) of the values 4.38 × 10-8, 2.72 × 10-8, 1.98 × 10-8, and 1.59 × 10-8 cm3/ s, respectively, that is, with the rate coefficients exceeding 10-8 cm3/ s. The processes with moderate rate coefficients, that is, with values between 10-10 and 10-8 cm3/ s include many excitation, de-excitation, mutual neutralization and ion-pair formation processes. In addition to other processes involving the atomic states from the first group, the processes from the second group include those involving the following atomic states: Mn(3d5(6S)4s4p (1P°) y 6P°), Mn(3d54s(7S)4d e 6D), Mn(3d54s(7S)5p w 6P°), Mn(3d5(4P)4s4p (3P°) y 6D°), Mn(3d5(4G)4s4p (3P°) y 6F�

Computation of Collision-Induced Absorption by Simple Molecular Complexes, for Astrophysical Applications

NASA Astrophysics Data System (ADS)

Abel, Martin; Frommhold, Lothar; Li, Xiaoping; Hunt, Katharine L. C.

2012-06-01

The interaction-induced absorption by collisional pairs of H{_2} molecules is an important opacity source in the atmospheres of various types of planets and cool stars, such as late stars, low-mass stars, brown dwarfs, cool white dwarf stars, the ambers of the smaller, burnt out main sequence stars, exoplanets, etc., and therefore of special astronomical interest The emission spectra of cool white dwarf stars differ significantly in the infrared from the expected blackbody spectra of their cores, which is largely due to absorption by collisional H{_2}-H{_2}, H{_2}-He, and H{_2}-H complexes in the stellar atmospheres. Using quantum-chemical methods we compute the atmospheric absorption from hundreds to thousands of kelvin. Laboratory measurements of interaction-induced absorption spectra by H{_2} pairs exist only at room temperature and below. We show that our results reproduce these measurements closely, so that our computational data permit reliable modeling of stellar atmosphere opacities even for the higher temperatures. First results for H_2-He complexes have already been applied to astrophysical models have shown great improvements in these models. L. Frommhold, Collision-Induced Absorption in Gases, Cambridge University Press, Cambridge, New York, 1993 and 2006 X. Li, K. L. C. Hunt, F. Wang, M. Abel, and L. Frommhold, Collision-Induced Infrared Absorption by Molecular Hydrogen Pairs at Thousands of Kelvin, Int. J. of Spect., vol. 2010, Article ID 371201, 11 pages, 2010. doi: 10.1155/2010/371201 M. Abel, L. Frommhold, X. Li, and K. L. C. Hunt, Collision-induced absorption by H{_2} pairs: From hundreds to thousands of Kelvin, J. Phys. Chem. A, 115, 6805-6812, 2011} L. Frommhold, M. Abel, F. Wang, M. Gustafsson, X. Li, and K. L. C. Hunt, "Infrared atmospheric emission and absorption by simple molecular complexes, from first principles", Mol. Phys. 108, 2265, 2010 M. Abel, L. Frommhold, X. Li, and K. L. C. Hunt, Infrared absorption by collisional H_2-He complexes

Thermal relaxation of molecular oxygen in collisions with nitrogen atoms

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

Andrienko, Daniil A., E-mail: daniila@umich.edu; Boyd, Iain D.

2016-07-07

Investigation of O{sub 2}–N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound–bound and bound–free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO{sub 2} complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systemsmore » with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N{sub 2}–O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.« less

A rear-end collision risk assessment model based on drivers' collision avoidance process under influences of cell phone use and gender-A driving simulator based study.

PubMed

Li, Xiaomeng; Yan, Xuedong; Wu, Jiawei; Radwan, Essam; Zhang, Yuting

2016-12-01

Driver's collision avoidance performance has a direct link to the collision risk and crash severity. Previous studies demonstrated that the distracted driving, such as using a cell phone while driving, disrupted the driver's performance on road. This study aimed to investigate the manner and extent to which cell phone use and driver's gender affected driving performance and collision risk in a rear-end collision avoidance process. Forty-two licensed drivers completed the driving simulation experiment in three phone use conditions: no phone use, hands-free, and hand-held, in which the drivers drove in a car-following situation with potential rear-end collision risks caused by the leading vehicle's sudden deceleration. Based on the experiment data, a rear-end collision risk assessment model was developed to assess the influence of cell phone use and driver's gender. The cell phone use and driver's gender were found to be significant factors that affected the braking performances in the rear-end collision avoidance process, including the brake reaction time, the deceleration adjusting time and the maximum deceleration rate. The minimum headway distance between the leading vehicle and the simulator during the rear-end collision avoidance process was the final output variable, which could be used to measure the rear-end collision risk and judge whether a collision occurred. The results showed that although cell phone use drivers took some compensatory behaviors in the collision avoidance process to reduce the mental workload, the collision risk in cell phone use conditions was still higher than that without the phone use. More importantly, the results proved that the hands-free condition did not eliminate the safety problem associated with distracted driving because it impaired the driving performance in the same way as much as the use of hand-held phones. In addition, the gender effect indicated that although female drivers had longer reaction time than male drivers in

An ab initio study of ion induced charge transfer dynamics in collision of carbon ions with thymine.

PubMed

Bacchus-Montabonel, Marie-Christine; Tergiman, Yvette Suzanne

2011-05-28

Charge transfer in collisions of carbon ions on a thymine target has been studied theoretically in a wide collision range by means of ab initio quantum chemistry molecular methods. The process appears markedly anisotropic in the whole energy domain, significantly favoured in the perpendicular orientation. A specific decrease of the charge transfer cross sections at low collision energies may be pointed out and could induce an enhancement of the complementary fragmentation processes for collision energies down to about 10 eV, as observed for the low-electron fragmentation process. Such feature may be of important interest in ion-induced biomolecular radiation damage. This journal is © the Owner Societies 2011

The relationship between continental collision process and metamorphic pattern in the Himalayan collision belts

NASA Astrophysics Data System (ADS)

Oh, Chang-Whan

2015-04-01

east indicating propagation of collision towards east. The following collision model of the Himalayan collision belt is proposed based on data published in previous studies. Collision between the Indian and Asian blocks started in the west before ca. 55 Ma. In the western part, the amount of oceanic slab subducted prior to continent collision was enough to pull the continental crust down to the depths of UHP metamorphism, as a wide ocean existed between the Asian and Indian blocks prior to collision. Following UHP metamorphism, oceanic slab break-off started at ca. 55~46 Ma in the west due to the very strong buoyancy of the deeply subducted continental block. In contrast, the subduction of continental crust continued at this time in the middle and eastern parts of the belt. The zone of break-off migrated eastward, initiating a change from steep- to low-angle subduction. Final break-off may have occurred in the easternmost part of the belt at ca. 22-25 Ma. The depth of slab break-off decreased toward the east due to the westward decrease of the amount of subducted oceanic crust along the Himalayan collision belt, resulting eastwards decrease of an uplifting rate due to a decrease in buoyancy of the continental slab. The slower uplift resulted in a longer period of thermal relaxation and a higher geothermal gradient. In the west, the high rate of uplift resulted the epidote amphibolite facies (580-610°C) retrograde metamorphic overprint on the UHP eclogites, whereas the relatively slow uplift in the mid-eastern part caused high-grade granulites (850°C) retrograde metamorphic overprint on the HP eclogites. The study indicates that the metamorphic pattern along the collision belt is strongly related to the amount of subducted oceanic crust between continents before collision and the depth of slab break-off. Therefore metamorphic pattern can be used to interpret both the disappeared and ongoing tectonic process during continental collision.

Charge exchange collisions of slow C6 + with atomic and molecular H

NASA Astrophysics Data System (ADS)

Saha, Bidhan C.; Guevara, Nicolais L.; Sabin, John R.; Deumens, Erik; Öhrn, Yngve

2016-04-01

Charge exchange in collisions of C6+ ions with H and H2 is investigated theoretically at projectile energies 0.1 < E < 10 keV/amu, using electron nuclear dynamics (END) - a semi-classical approximation which not only includes electron translation factors for avoiding spurious couplings but also employs full dynamical trajectories to treat nuclear motions. Both the total and partial cross sections are reported for the collision of C6+ ions with atomic and molecular hydrogen. A comparison with other theoretical and experimental results shows, in general good agreement except at very low energy, considered here. For H2, the one- and two-electron charge exchange cross sections are calculated and compared with other theoretical and experimental results. Small but non-negligible isotope effects are found at the lowest energy studied in the charge transfer of C6+ with H. In low energy region, it is observed that H2 has larger isotope effects than H atom due to the polarizability effect which is larger than the mass effect.

Half collision resonance phenomena in molecules

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

Maximo Garcia-Sucre; Raseev, G.; Ross, S.C.

1991-01-01

The Escuela Latinoamericana de Fisica (ELAF) is a series of meeting s that for 28 years has played an important role in research-level teaching of physics in Latin America. This book contains the proceedings of ELAF 90 which was held at the Instituto Venezolano de Investigaciones Cientificas (IVIC) in Caracas, Venezuela from July 23 to August 3, 1990, as part of the commemoration of the 30th anniversary of IVIC. In contrast to previous ELAF's that were of general scope, ELAF 90 centered on a particular subject matter: Half Collisional Resonance Phenomena in Molecules, Experimental and Theoretical Approaches. The term Halfmore » Collision'' refers to the fragmentation of a molecular system following is excitation by light. The lack of an incident fragmentation of a molecular system following is excitation by light. The lack of an incident particle (other than the photon) in the fragmentation process is what leads to the term. The purpose of this volume is to present current results in the experimental and theoretical study of half collisions and also to include pedagogical papers at an introductory or intermediate level. The contributions are grouped into several sections; light sources; ionization; dissociation-experimental; dissociation-theory; competition between ionization and dissociation; and particle-molecule collisions.« less

Double Molecular Photoswitch Driven by Light and Collisions

NASA Astrophysics Data System (ADS)

Bull, James N.; Scholz, Michael S.; Carrascosa, Eduardo; da Silva, Gabriel; Bieske, Evan J.

2018-06-01

The shapes of many molecules can be transformed by light or heat. Here we investigate collision- and photon-induced interconversions of E E , E Z , and Z Z isomers of the isolated Congo red (CR) dianion, a double molecular switch containing two - N ═ N - azo groups, each of which can have the E or Z configuration. We find that collisional activation of CR dianions drives a one-way Z Z →E Z →E E cascade towards the lowest-energy isomer, whereas the absorption of a single photon over the 270-600 nm range can switch either azo group from E to Z or Z to E , driving the CR dianion to lower- or higher-energy forms. The experimental results, which are interpreted with the aid of calculated statistical isomerization rates, indicate that photoisomerization of CR in the gas phase involves a passage through conical intersection seams linking the excited and ground state potential energy surfaces rather than through isomerization on the ground state potential energy surface following internal conversion.

Cross Sections for Ionization of Rare Gas Excimers by Electron Impact and Atomic and Molecular Processes in Excimer Lasers.

DTIC Science & Technology

1980-03-01

6.1 Excimers and Exciplexes : Background 55 6.2 Rare Gas-Halide Lasers 58 6.3 Formation, Quenching and Absorption Processes for Rare Gas-Halides 60... exciplex such as KrF* and XeF* laser systems as well as in various types of gas discharges. They are also of fundamental significance in their own...collision processes contributing to the formation and quenching of the excited molecular states in exciplex (such as KrF ) and excimer (such as Xe2

Re-solution of xenon clusters in plutonium dioxide under the collision cascade impact: A molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Seitov, D. D.; Nekrasov, K. A.; Kupryazhkin, A. Ya.; Gupta, S. K.; Akilbekov, A. T.

2017-09-01

The interaction of xenon clusters with the collision cascades in the PuO2 crystals is investigated using the molecular dynamics simulation and the approximation of the pair interaction potentials. The potentials of interaction of Xe atoms with the surrounding particles in the crystal lattice are suggested, that are valid in the range of high collision energies. The cascades created by the recoil 235U ions formed as the plutonium α-decay product are considered, and the influence of such cascades on the structure of the xenon clusters is analyzed. It is shown, that the cascade-cluster interaction leads to release of the xenon atoms from the clusters and their subsequent re-solution in the crystal bulk.

Recommended direct simulation Monte Carlo collision model parameters for modeling ionized air transport processes

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

Swaminathan-Gopalan, Krishnan; Stephani, Kelly A., E-mail: ksteph@illinois.edu

2016-02-15

A systematic approach for calibrating the direct simulation Monte Carlo (DSMC) collision model parameters to achieve consistency in the transport processes is presented. The DSMC collision cross section model parameters are calibrated for high temperature atmospheric conditions by matching the collision integrals from DSMC against ab initio based collision integrals that are currently employed in the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) and Data Parallel Line Relaxation (DPLR) high temperature computational fluid dynamics solvers. The DSMC parameter values are computed for the widely used Variable Hard Sphere (VHS) and the Variable Soft Sphere (VSS) models using the collision-specific pairing approach.more » The recommended best-fit VHS/VSS parameter values are provided over a temperature range of 1000-20 000 K for a thirteen-species ionized air mixture. Use of the VSS model is necessary to achieve consistency in transport processes of ionized gases. The agreement of the VSS model transport properties with the transport properties as determined by the ab initio collision integral fits was found to be within 6% in the entire temperature range, regardless of the composition of the mixture. The recommended model parameter values can be readily applied to any gas mixture involving binary collisional interactions between the chemical species presented for the specified temperature range.« less

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

DOE PAGES

Sornborger, Andrew Tyler; Stancil, Phillip; Geller, Michael R.

2018-03-22

Here, one of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputedmore » potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born–Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3–8 channels and circuit depths < 1000.« less

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

NASA Astrophysics Data System (ADS)

Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

2018-05-01

One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

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

Sornborger, Andrew Tyler; Stancil, Phillip; Geller, Michael R.

Here, one of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputedmore » potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born–Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3–8 channels and circuit depths < 1000.« less

A novel framework for molecular characterization of atmospherically relevant organic compounds based on collision cross section and mass-to-charge ratio

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

Zhang, Xuan; Krechmer, Jordan E.; Groessl, Michael

Here, a new metric is introduced for representing the molecular signature of atmospherically relevant organic compounds, the collision cross section (Ω), a quantity that is related to the structure and geometry of molecules and is derived from ion mobility measurements. By combination with the mass-to-charge ratio ( m/z), a two-dimensional Ω – m/z space is developed to facilitate the comprehensive investigation of the complex organic mixtures. A unique distribution pattern of chemical classes, characterized by functional groups including amine, alcohol, carbonyl, carboxylic acid, ester, and organic sulfate, is developed on the 2-D Ω – m/z space. Species of the samemore » chemical class, despite variations in the molecular structures, tend to situate as a narrow band on the space and follow a trend line. Reactions involving changes in functionalization and fragmentation can be represented by the directionalities along or across these trend lines, thus allowing for the interpretation of atmospheric transformation mechanisms of organic species. The characteristics of trend lines for a variety of functionalities that are commonly present in the atmosphere can be predicted by the core model simulations, which provide a useful tool to identify the chemical class to which an unknown species belongs on the Ω – m/z space. Within the band produced by each chemical class on the space, molecular structural assignment can be achieved by utilizing collision-induced dissociation as well as by comparing the measured collision cross sections in the context of those obtained via molecular dynamics simulations.« less

A novel framework for molecular characterization of atmospherically relevant organic compounds based on collision cross section and mass-to-charge ratio

DOE PAGES

Zhang, Xuan; Krechmer, Jordan E.; Groessl, Michael; ...

2016-10-19

Here, a new metric is introduced for representing the molecular signature of atmospherically relevant organic compounds, the collision cross section (Ω), a quantity that is related to the structure and geometry of molecules and is derived from ion mobility measurements. By combination with the mass-to-charge ratio ( m/z), a two-dimensional Ω – m/z space is developed to facilitate the comprehensive investigation of the complex organic mixtures. A unique distribution pattern of chemical classes, characterized by functional groups including amine, alcohol, carbonyl, carboxylic acid, ester, and organic sulfate, is developed on the 2-D Ω – m/z space. Species of the samemore » chemical class, despite variations in the molecular structures, tend to situate as a narrow band on the space and follow a trend line. Reactions involving changes in functionalization and fragmentation can be represented by the directionalities along or across these trend lines, thus allowing for the interpretation of atmospheric transformation mechanisms of organic species. The characteristics of trend lines for a variety of functionalities that are commonly present in the atmosphere can be predicted by the core model simulations, which provide a useful tool to identify the chemical class to which an unknown species belongs on the Ω – m/z space. Within the band produced by each chemical class on the space, molecular structural assignment can be achieved by utilizing collision-induced dissociation as well as by comparing the measured collision cross sections in the context of those obtained via molecular dynamics simulations.« less

Space Object Collision Probability via Monte Carlo on the Graphics Processing Unit

NASA Astrophysics Data System (ADS)

Vittaldev, Vivek; Russell, Ryan P.

2017-09-01

Fast and accurate collision probability computations are essential for protecting space assets. Monte Carlo (MC) simulation is the most accurate but computationally intensive method. A Graphics Processing Unit (GPU) is used to parallelize the computation and reduce the overall runtime. Using MC techniques to compute the collision probability is common in literature as the benchmark. An optimized implementation on the GPU, however, is a challenging problem and is the main focus of the current work. The MC simulation takes samples from the uncertainty distributions of the Resident Space Objects (RSOs) at any time during a time window of interest and outputs the separations at closest approach. Therefore, any uncertainty propagation method may be used and the collision probability is automatically computed as a function of RSO collision radii. Integration using a fixed time step and a quartic interpolation after every Runge Kutta step ensures that no close approaches are missed. Two orders of magnitude speedups over a serial CPU implementation are shown, and speedups improve moderately with higher fidelity dynamics. The tool makes the MC approach tractable on a single workstation, and can be used as a final product, or for verifying surrogate and analytical collision probability methods.

Molecular clouds toward three Spitzer bubbles S116, S117, and S118: Evidence for a cloud-cloud collision which formed the three H II regions and a 10 pc scale molecular cavity

NASA Astrophysics Data System (ADS)

Fukui, Yasuo; Ohama, Akio; Kohno, Mikito; Torii, Kazufumi; Fujita, Shinji; Hattori, Yusuke; Nishimura, Atsushi; Yamamoto, Hiroaki; Tachihara, Kengo

2018-05-01

We carried out a molecular-line study toward the three Spitzer bubbles S116, S117, and S118, which show active formation of high-mass stars. We found molecular gas consisting of two components with a velocity difference of ˜5 km s-1. One of them, the small cloud, has a typical velocity of -63 km s-1 and the other, the large cloud, has one of -58 km s-1. The large cloud has a nearly circular intensity depression, the size of which is similar to that of the small cloud. We present an interpretation that its cavity was created by a collision between the two clouds and that this collision compressed the gas into a dense layer elongating along the western rim of the small cloud. In this scenario, the O stars including those in the three Spitzer bubbles were formed in the interface layer compressed by the collision. Assuming that the relative motion of the clouds has a tilt of 45° to the line of sight, we estimate that the collision continued for the last 1 Myr at a relative velocity of ˜10 km s-1. In the S116-S117-S118 system the H II regions are located outside of the cavity. This morphology is ascribed to the density-bound distribution of the large cloud which caused the H II regions to expand more easily toward the outer part of the large cloud than towards the inside of the cavity. The present case proves that a cloud-cloud collision creates a cavity without the action of O-star feedback, and suggests that the collision-compressed layer is highly filamentary.

Time evolution of giant molecular cloud mass functions with cloud-cloud collisions and gas resurrection in various environments

NASA Astrophysics Data System (ADS)

Kobayashi, M. I. N.; Inutsuka, S.; Kobayashi, H.; Hasegawa, K.

We formulate the evolution equation for the giant molecular cloud (GMC) mass functions including self-growth of GMCs through the thermal instability, self-dispersal due to massive stars born in GMCs, cloud-cloud collisions (CCCs), and gas resurrection that replenishes the minimum-mass GMC population. The computed time evolutions obtained from this formulation suggest that the slope of GMC mass function in the mass range <105.5 Mȯ is governed by the ratio of GMC formation timescale to its dispersal timescale, and that the CCC process modifies only the massive end of the mass function. Our results also suggest that most of the dispersed gas contributes to the mass growth of pre-existing GMCs in arm regions whereas less than 60 per cent contributes in inter-arm regions.

Super-Penrose process due to collisions inside ergosphere

NASA Astrophysics Data System (ADS)

Zaslavskii, O. B.

If two particles collide inside the ergosphere, the energy in the center of mass frame can be made unbound provided at least one of particles has a large negative angular momentum [A. A. Grib and Yu. V. Pavlov, Europhys. Lett. 101 (2013) 20004]. We show that the same condition can give rise to unbounded Killing energy of debris at infinity, i.e. super-Penrose process. Proximity of the point of collision to the black hole horizon is not required.

Generalization of the Hartree-Fock approach to collision processes

NASA Astrophysics Data System (ADS)

Hahn, Yukap

1997-06-01

The conventional Hartree and Hartree-Fock approaches for bound states are generalized to treat atomic collision processes. All the single-particle orbitals, for both bound and scattering states, are determined simultaneously by requiring full self-consistency. This generalization is achieved by introducing two Ansäauttze: (a) the weak asymptotic boundary condition, which maintains the correct scattering energy and target orbitals with correct number of nodes, and (b) square integrable amputated scattering functions to generate self-consistent field (SCF) potentials for the target orbitals. The exact initial target and final-state asymptotic wave functions are not required and thus need not be specified a priori, as they are determined simultaneously by the SCF iterations. To check the asymptotic behavior of the solution, the theory is applied to elastic electron-hydrogen scattering at low energies. The solution is found to be stable and the weak asymptotic condition is sufficient to produce the correct scattering amplitudes. The SCF potential for the target orbital shows the strong penetration by the projectile electron during the collision, but the exchange term tends to restore the original form. Potential applicabilities of this extension are discussed, including the treatment of ionization and shake-off processes.

Double pendulum model for a tennis stroke including a collision process

NASA Astrophysics Data System (ADS)

Youn, Sun-Hyun

2015-10-01

By means of adding a collision process between the ball and racket in the double pendulum model, we analyzed the tennis stroke. The ball and the racket system may be accelerated during the collision time; thus, the speed of the rebound ball does not simply depend on the angular velocity of the racket. A higher angular velocity sometimes gives a lower rebound ball speed. We numerically showed that the proper time-lagged racket rotation increased the speed of the rebound ball by 20%. We also showed that the elbow should move in the proper direction in order to add the angular velocity of the racket.

Charge Transfer Processes in Collisions of Si4+ Ions with He Atoms at Intermediate Energies

NASA Astrophysics Data System (ADS)

Suzuki, R.; Watanabe, A.; Sato, H.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.; Stancil, P. C.

Charge transfer in collisions of Si4+ ions with He atoms below 100 keV/u is studied by using a molecular orbital representation within both the semiclassical and quantal representations. Single transfer reaction Si4++He →Si3++He+ has been studied by a number of theoretical investigations. In addition to the reaction (1), the first semiclassical MOCC calculations are performed for the double transfer channel Si4++HE→Si2++He2+ Nine molecular states that connect both with single and double electron transfer processes are considered in the present model. Electronic states and corresponding couplings are determined by the multireference single- and double- excitation configuration interaction method. The present cross sections tie well with the earlier calculations of Stancil et al., Phys. Rev. A 55, 1064 (1997) at lower energies, but show a rather different magnitude from those of Bacchus-Montabonel and Ceyzeriat, Phys. Rev. A 58, 1162 (1998). The present rate constant is found to be significantly different from the experimental finding of Fang and Kwong, Phys. Rev. A 59, 342 (1996) at 4,600 K, and hence does not support the experiment.

Two-body loss rates for reactive collisions of cold atoms

NASA Astrophysics Data System (ADS)

Cop, C.; Walser, R.

2018-01-01

We present an effective two-channel model for reactive collisions of cold atoms. It augments elastic molecular channels with an irreversible, inelastic loss channel. Scattering is studied with the distorted-wave Born approximation and yields general expressions for angular momentum resolved cross sections as well as two-body loss rates. Explicit expressions are obtained for piecewise constant potentials. A pole expansion reveals simple universal shape functions for cross sections and two-body loss rates in agreement with the Wigner threshold laws. This is applied to collisions of metastable 20Ne and 21Ne atoms, which decay primarily through exothermic Penning or associative ionization processes. From a numerical solution of the multichannel Schrödinger equation using the best currently available molecular potentials, we have obtained synthetic scattering data. Using the two-body loss shape functions derived in this paper, we can match these scattering data very well.

Rational extended thermodynamics of a rarefied polyatomic gas with molecular relaxation processes

NASA Astrophysics Data System (ADS)

Arima, Takashi; Ruggeri, Tommaso; Sugiyama, Masaru

2017-10-01

We present a more refined version of rational extended thermodynamics of rarefied polyatomic gases in which molecular rotational and vibrational relaxation processes are treated individually. In this case, we need a triple hierarchy of the moment system and the system of balance equations is closed via the maximum entropy principle. Three different types of the production terms in the system, which are suggested by a generalized BGK-type collision term in the Boltzmann equation, are adopted. In particular, the rational extended thermodynamic theory with seven independent fields (ET7) is analyzed in detail. Finally, the dispersion relation of ultrasonic wave derived from the ET7 theory is confirmed by the experimental data for CO2, Cl2, and Br2 gases.

Star formation induced by cloud-cloud collisions and galactic giant molecular cloud evolution

NASA Astrophysics Data System (ADS)

Kobayashi, Masato I. N.; Kobayashi, Hiroshi; Inutsuka, Shu-ichiro; Fukui, Yasuo

2018-05-01

Recent millimeter/submillimeter observations towards nearby galaxies have started to map the whole disk and to identify giant molecular clouds (GMCs) even in the regions between galactic spiral structures. Observed variations of GMC mass functions in different galactic environments indicates that massive GMCs preferentially reside along galactic spiral structures whereas inter-arm regions have many small GMCs. Based on the phase transition dynamics from magnetized warm neutral medium to molecular clouds, Kobayashi et al. (2017, ApJ, 836, 175) proposes a semi-analytical evolutionary description for GMC mass functions including a cloud-cloud collision (CCC) process. Their results show that CCC is less dominant in shaping the mass function of GMCs than the accretion of dense H I gas driven by the propagation of supersonic shock waves. However, their formulation does not take into account the possible enhancement of star formation by CCC. Millimeter/submillimeter observations within the Milky Way indicate the importance of CCC in the formation of star clusters and massive stars. In this article, we reformulate the time-evolution equation largely modified from Kobayashi et al. (2017, ApJ, 836, 175) so that we additionally compute star formation subsequently taking place in CCC clouds. Our results suggest that, although CCC events between smaller clouds are more frequent than the ones between massive GMCs, CCC-driven star formation is mostly driven by massive GMCs ≳ 10^{5.5} M_{⊙} (where M⊙ is the solar mass). The resultant cumulative CCC-driven star formation may amount to a few 10 percent of the total star formation in the Milky Way and nearby galaxies.

Mountain building processes during continent continent collision in the Uralides

NASA Astrophysics Data System (ADS)

Brown, D.; Juhlin, C.; Ayala, C.; Tryggvason, A.; Bea, F.; Alvarez-Marron, J.; Carbonell, R.; Seward, D.; Glasmacher, U.; Puchkov, V.; Perez-Estaun, A.

2008-08-01

Since the early 1990's the Paleozoic Uralide Orogen of Russia has been the target of a significant research initiative as part of EUROPROBE and GEODE, both European Science Foundation programmes. One of the main objectives of these research programmes was the determination of the tectonic processes that went into the formation of the orogen. In this review paper we focus on the Late Paleozoic continent-continent collision that took place between Laurussia and Kazakhstania. Research in the Uralides was concentrated around two deep seismic profiles crossing the orogen. These were accompanied by geological, geophysical, geochronological, geochemical, and low-temperature thermochronological studies. The seismic profiles demonstrate that the Uralides has an overall bivergent structural architecture, but with significantly different reflectivity characteristics from one tectonic zone to another. The integration of other types of data sets with the seismic data allows us to interpret what tectonic processes where responsible for the formation of the structural architecture, and when they were active. On the basis of these data, we suggest that the changes in the crustal-scale structural architecture indicate that there was significant partitioning of tectonothermal conditions and deformation from zone to zone across major fault systems, and between the lower and upper crust. Also, a number of the structural features revealed in the bivergent architecture of the orogen formed either in the Neoproterozoic or in the Paleozoic, prior to continent-continent collision. From the end of continent-continent collision to the present, low-temperature thermochronology suggests that the evolution of the Uralides has been dominated by erosion and slow exhumation. Despite some evidence for more recent topographic uplift, it has so far proven difficult to quantify it.

Cloud-cloud collision in the Galactic center 50 km s-1 molecular cloud

NASA Astrophysics Data System (ADS)

Tsuboi, Masato; Miyazaki, Atsushi; Uehara, Kenta

2015-12-01

We performed a search of star-forming sites influenced by external factors, such as SNRs, H II regions, and cloud-cloud collisions (CCCs), to understand the star-forming activity in the Galactic center region using the NRO Galactic Center Survey in SiO v = 0, J = 2-1, H13CO+J = 1-0, and CS J = 1-0 emission lines obtained with the Nobeyama 45 m telescope. We found a half-shell-like feature (HSF) with a high integrated line intensity ratio of ∫TB(SiO v = 0, J = 2-1)dv/∫TB(H13CO+J = 1-0)dv ˜ 6-8 in the 50 km s-1 molecular cloud; the HSF is a most conspicuous molecular cloud in the region and harbors an active star-forming site where several compact H II regions can be seen. The high ratio in the HSF indicates that the cloud contains huge shocked molecular gas. The HSF can be also seen as a half-shell feature in the position-velocity diagram. A hypothesis explaining the chemical and kinetic properties of the HSF is that the feature originates from a CCC. We analyzed the CS J = 1-0 emission line data obtained with the Nobeyama Millimeter Array to reveal the relation between the HSF and the molecular cloud cores in the cloud. We made a cumulative core mass function (CMF) of the molecular cloud cores within the HSF. The CMF in the CCC region is not truncated at least up to ˜2500 M⊙, although the CMF of the non-CCC region reaches the upper limit of ˜1500 M⊙. Most massive molecular cores with Mgas > 750 M⊙ are located only around the ridge of the HSF and adjoin the compact H II region. These may be a sign of massive star formation induced by CCCs in the Galactic center region.

Interface collisions

NASA Astrophysics Data System (ADS)

Aarão Reis, F. D. A.; Pierre-Louis, O.

2018-04-01

We provide a theoretical framework to analyze the properties of frontal collisions of two growing interfaces considering different short-range interactions between them. Due to their roughness, the collision events spread in time and form rough domain boundaries, which defines collision interfaces in time and space. We show that statistical properties of such interfaces depend on the kinetics of the growing interfaces before collision, but are independent of the details of their interaction and of their fluctuations during the collision. Those properties exhibit dynamic scaling with exponents related to the growth kinetics, but their distributions may be nonuniversal. Our results are supported by simulations of lattice models with irreversible dynamics and local interactions. Relations to first passage processes are discussed and a possible application to grain-boundary formation in two-dimensional materials is suggested.

Electronic excitation of ground state atoms by collision with heavy gas particles

NASA Technical Reports Server (NTRS)

Hansen, C. Frederick

1993-01-01

Most of the important chemical reactions which occur in the very high temperature air produced around space vehicles as they enter the atmosphere were investigated both experimentally and theoretically, to some extent at least. One remaining reaction about which little is known, and which could be quite important at the extremely high temperatures that will be produced by the class of space vehicles now contemplated - such as the AOTV - is the excitation of bound electron states due to collisions between heavy gas particles. Rates of electronic excitation due to free electron collisions are known to be very rapid, but because these collisions quickly equilibrate the free and bound electron energy, the approach to full equilibrium with the heavy particle kinetic energy will depend primarily on the much slower process of bound electron excitation in heavy particle collisions and the subsequent rapid transfer to free electron energy. This may be the dominant mechanism leading to full equilibrium in the gas once the dissociation process has depleted the molecular states so the transfer between molecular vibrational energy and free electron energy is no longer available as a channel for equilibration of free electron and heavy particle kinetic energies. Two mechanisms seem probable in electronic excitation by heavy particle impact. One of these is the collision excitation and deexcitation of higher electronic states which are Rydberg like. A report, entitled 'Semi-Classical Theory of Electronic Excitation Rates', was submitted previously. This presented analytic expressions for the transition probabilities, assuming that the interaction potential is an exponential repulsion with a perturbation ripple due to the dipole-induced dipole effect in the case of neutral-neutral collisions, and to the ion-dipole interaction in the case of ion-neutral collisions. However the above may be, there is little doubt that excitation of ground state species by collision occurs at the

FAST TRACK COMMUNICATION: Oscillation structures in elastic and electron capture cross sections for H+-H collisions in Debye plasmas

NASA Astrophysics Data System (ADS)

Wu, Y.; Wang, J. G.; Krstic, P. S.; Janev, R. K.

2010-10-01

We find that the number of vibrational states in the ground potential of a H2+ molecular ion embedded in the Debye plasma and the number of Regge oscillations in the resonant charge transfer cross section of the H+ + H collision system in the plasma are quasi-conserved when the Debye radius D is larger than 1.4a0. The elastic and resonant charge transfer processes in the H+ + H collision have been studied in the 0.1 meV-100 eV collision energy range for a wide range of Debye radii using a highly accurate calculation based on the modified ab initio multireference configuration interaction code. Remarkable plasma screening effects have been found in both the molecular structure and the collision dynamics of this system. Shape resonances, Regge and glory oscillations have been found in the integral cross sections in the considered energy range even for strong interaction screening, showing their ubiquitous nature.

Procesos cuasi-moleculares en enanas blancas frías

NASA Astrophysics Data System (ADS)

Rohrmann, R. D.; Althaus, L. G.; Kepler, S. O.

We show that the radiation emitted by very cool white dwarf stars (Teff ~< 3000 K) with pure hydrogen atmospheres, is fully formed by radiative processes induced by atomic and molecular collisions. FULL TEXT IN SPANISH

Isolating signatures of major cloud-cloud collisions using position-velocity diagrams

NASA Astrophysics Data System (ADS)

Haworth, T. J.; Tasker, E. J.; Fukui, Y.; Torii, K.; Dale, J. E.; Shima, K.; Takahira, K.; Habe, A.; Hasegawa, K.

2015-06-01

Collisions between giant molecular clouds are a potential mechanism for triggering the formation of massive stars, or even super star clusters. The trouble is identifying this process observationally and distinguishing it from other mechanisms. We produce synthetic position-velocity diagrams from models of cloud-cloud collisions, non-interacting clouds along the line of sight, clouds with internal radiative feedback and a more complex cloud evolving in a galactic disc, to try and identify unique signatures of collision. We find that a broad bridge feature connecting two intensity peaks, spatially correlated but separated in velocity, is a signature of a high-velocity cloud-cloud collision. We show that the broad bridge feature is resilient to the effects of radiative feedback, at least to around 2.5 Myr after the formation of the first massive (ionizing) star. However for a head-on 10 km s-1 collision, we find that this will only be observable from 20 to 30 per cent of viewing angles. Such broad-bridge features have been identified towards M20, a very young region of massive star formation that was concluded to be a site of cloud-cloud collision by Torii et al., and also towards star formation in the outer Milky Way by Izumi et al.

The Theory of High Energy Collision Processes - Final Report DOE/ER/40158-1

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

Wu, Tai, T.

In 1984, DOE awarded Harvard University a new Grant DE-FG02-84ER40158 to continue their support of Tai Tsun Wu as Principal Investigator of research on the theory of high energy collision processes. This Grant was renewed and remained active continuously from June 1, 1984 through November 30, 2007. Topics of interest during the 23-year duration of this Grant include: the theory and phenomenology of collision and production processes at ever higher energies; helicity methods of QED and QCD; neutrino oscillations and masses; Yang-Mills gauge theory; Beamstrahlung; Fermi pseudopotentials; magnetic monopoles and dyons; cosmology; classical confinement; mass relations; Bose-Einstein condensation; and large-momentum-transfermore » scattering processes. This Final Report describes the research carried out on Grant DE-FG02-84ER40158 for the period June 1, 1984 through November 30, 2007. Two books resulted from this project and a total of 125 publications.« less

Dipolar collisions of ultracold 23Na87Rb molecules.

NASA Astrophysics Data System (ADS)

Guo, Mingyang; Ye, Xin; He, Junyu; Quéméner, Goulven; González-Martínez, Maykel; Dulieu, Olivier; Wang, Dajun

2017-04-01

Although ultracold polar molecules have long been proposed as a primary candidate for investigating dipolar many body physics, many of their basic properties, like their collisions in external electric fields, are still largely unknown. In fact, despite the successful production of several new ultracold molecular species in the last two years, so far the only available dipolar collision data is still from JILA's fermionic 40K87Rb experiment in 2010. In this talk, we will describe our investigation on dipolar collisions of ultracold bosonic and chemically stable 23Na87Rb molecules which possess a large permanent electric dipole moment. With a moderate electric field, an effective dipole moment large enough to strongly couple higher partial waves into the collisions can be achieved. We will report the influence of this effect on the molecular collisions observed in our experiment. Our theoretical model for understanding these observations will also be presented. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

Stopping powers and cross sections due to two-photon processes in relativistic nucleus-nucleus collision

NASA Technical Reports Server (NTRS)

Cheung, Wang K.; Norbury, John W.

1992-01-01

The radiation dose received from high energy galactic cosmic rays (GCR) is a limiting factor in the design of long duration space flights and the building of lunar and martian habitats. It is of vital importance to have an accurate understanding of the interactions of GCR in order to assess the radiation environment that the astronauts will be exposed to. Although previous studies have concentrated on the strong interaction process in GCR, there are also very large effects due to electromagnetic (EM) interactions. In this report we describe our first efforts at understanding these EM production processes due to two-photon collisions. More specifically, we shall consider particle production processes in relativistic heavy ion collisions (RHICs) through two-photon exchange.

MD Simulation on Collision Behavior Between Nano-Scale TiO₂ Particles During Vacuum Cold Spraying.

PubMed

Yao, Hai-Long; Yang, Guan-Jun; Li, Chang-Jiu

2018-04-01

Particle collision behavior influences significantly inter-nano particle bonding formation during the nano-ceramic coating deposition by vacuum cold spraying (or aerosol deposition method). In order to illuminate the collision behavior between nano-scale ceramic particles, molecular dynamic simulation was applied to explore impact process between nano-scale TiO2 particles through controlling impact velocities. Results show that the recoil efficiency of the nano-scale TiO2 particle is decreased with the increase of the impact velocity. Nano-scale TiO2 particle exhibits localized plastic deformation during collision at low velocities, while it is intensively deformed by collision at high velocities. This intensive deformation promotes the nano-particle adhesion rather than rebounding off. A relationship between the adhesion energy and the rebound energy is established for the bonding formation of the nano-scale TiO2 particle. The adhesion energy required to the bonding formation between nano-scale ceramic particles can be produced by high velocity collision.

Shannon information entropy in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Ma, Yu-Gang

2018-03-01

The general idea of information entropy provided by C.E. Shannon "hangs over everything we do" and can be applied to a great variety of problems once the connection between a distribution and the quantities of interest is found. The Shannon information entropy essentially quantify the information of a quantity with its specific distribution, for which the information entropy based methods have been deeply developed in many scientific areas including physics. The dynamical properties of heavy-ion collisions (HICs) process make it difficult and complex to study the nuclear matter and its evolution, for which Shannon information entropy theory can provide new methods and observables to understand the physical phenomena both theoretically and experimentally. To better understand the processes of HICs, the main characteristics of typical models, including the quantum molecular dynamics models, thermodynamics models, and statistical models, etc., are briefly introduced. The typical applications of Shannon information theory in HICs are collected, which cover the chaotic behavior in branching process of hadron collisions, the liquid-gas phase transition in HICs, and the isobaric difference scaling phenomenon for intermediate mass fragments produced in HICs of neutron-rich systems. Even though the present applications in heavy-ion collision physics are still relatively simple, it would shed light on key questions we are seeking for. It is suggested to further develop the information entropy methods in nuclear reactions models, as well as to develop new analysis methods to study the properties of nuclear matters in HICs, especially the evolution of dynamics system.

Molecular gas in the H II-region complex RCW 166: Possible evidence for an early phase of cloud-cloud collision prior to the bubble formation

NASA Astrophysics Data System (ADS)

Ohama, Akio; Kohno, Mikito; Fujita, Shinji; Tsutsumi, Daichi; Hattori, Yusuke; Torii, Kazufumi; Nishimura, Atsushi; Sano, Hidetoshi; Yamamoto, Hiroaki; Tachihara, Kengo; Fukui, Yasuo

2018-05-01

Young H II regions are an important site for the study of O star formation based on distributions of ionized and molecular gas. We reveal that two molecular clouds at ˜48 km s-1 and ˜53 km s-1 are associated with the H II regions G018.149-00.283 in RCW 166 by using the JCMT CO High-Resolution Survey (COHRS) of the 12CO(J = 3-2) emission. G018.149-00.283 comprises a bright ring at 8 μm and an extended H II region inside the ring. The ˜48 km s-1 cloud delineates the ring, and the ˜53 km s-1 cloud is located within the ring, indicating a complementary distribution between the two molecular components. We propose a hypothesis that high-mass stars within G018.149-00.283 were formed by triggering during cloud-cloud collision at a projected velocity separation of ˜5 km s-1. We argue that G018.149-00.283 is in an early evolutionary stage, ˜0.1 Myr after the collision according to the scheme detailed by Habe and Ohta (1992, PASJ, 44, 203), which will be followed by a bubble formation stage like RCW 120. We also suggest that nearby H II regions N21 and N22 are candidates for bubbles possibly formed by cloud-cloud collision. Inoue and Fukui (2013, ApJ, 774, L31) showed that the interface gas becomes highly turbulent and realizes a high-mass accretion rate of 10-3-10-4 M⊙ yr-1 by magnetohydrodynamical numerical simulations, which offers an explanation of the O-star formation. The fairly high frequency of cloud-cloud collision in RCW 166 is probably due to the high cloud density in this part of the Scutum arm.

Near-threshold photoionization of hydrogenlike uranium studied in ion-atom collisions via the time-reversed process.

PubMed

Stöhlker, T; Ma, X; Ludziejewski, T; Beyer, H F; Bosch, F; Brinzanescu, O; Dunford, R W; Eichler, J; Hagmann, S; Ichihara, A; Kozhuharov, C; Krämer, A; Liesen, D; Mokler, P H; Stachura, Z; Swiat, P; Warczak, A

2001-02-05

Radiative electron capture, the time-reversed photoionization process occurring in ion-atom collisions, provides presently the only access to photoionization studies for very highly charged ions. By applying the deceleration mode of the ESR storage ring, we studied this process in low-energy collisions of bare uranium ions with low- Z target atoms. This technique allows us to extend the current information about photoionization to much lower energies than those accessible for neutral heavy elements in the direct reaction channel. The results prove that for high- Z systems, higher-order multipole contributions and magnetic corrections persist even at energies close to the threshold.

A Distonic Radical-Ion for Detection of Traces of Adventitious Molecular Oxygen (O2) in Collision Gases Used in Tandem Mass Spectrometers

NASA Astrophysics Data System (ADS)

Jariwala, Freneil B.; Hibbs, John A.; Weisbecker, Carl S.; Ressler, John; Khade, Rahul L.; Zhang, Yong; Attygalle, Athula B.

2014-09-01

We describe a diagnostic ion that enables rapid semiquantitative evaluation of the degree of oxygen contamination in the collision gases used in tandem mass spectrometers. Upon collision-induced dissociation (CID), the m/z 359 positive ion generated from the analgesic etoricoxib undergoes a facile loss of a methyl sulfone radical [•SO2(CH3); 79-Da] to produce a distonic radical cation of m/z 280. The product-ion spectrum of this m/z 280 ion, recorded under low-energy activation on tandem-in-space QqQ or QqTof mass spectrometers using nitrogen from a generator as the collision gas, or tandem-in-time ion-trap (LCQ, LTQ) mass spectrometers using purified helium as the buffer gas, showed two unexpected peaks at m/z 312 and 295. This enigmatic m/z 312 ion, which bears a mass-to-charge ratio higher than that of the precursor ion, represented an addition of molecular oxygen (O2) to the precursor ion. The exceptional affinity of the m/z 280 radical cation towards oxygen was deployed to develop a method to determine the oxygen content in collision gases.

Multi-property isotropic intermolecular potentials and predicted spectral lineshapes of collision-induced absorption (CIA), collision-induced light scattering (CILS) and collision-induced hyper-Rayleigh scattering (CIHR) for H2sbnd Ne, -Kr and -Xe

NASA Astrophysics Data System (ADS)

El-Kader, M. S. A.; Godet, J.-L.; Gustafsson, M.; Maroulis, G.

2018-04-01

Quantum mechanical lineshapes of collision-induced absorption (CIA), collision-induced light scattering (CILS) and collision-induced hyper-Rayleigh scattering (CIHR) at room temperature (295 K) are computed for gaseous mixtures of molecular hydrogen with neon, krypton and xenon. The induced spectra are detected using theoretical values for induced dipole moment, pair-polarizability trace and anisotropy, hyper-polarizability and updated intermolecular potentials. Good agreement is observed for all spectra when the literature and the present potentials which are constructed from the transport and thermo-physical properties are used.

Theory of Electronic, Atomic and Molecular Collisions.

DTIC Science & Technology

1983-09-01

coordinate in a reactive collision. Dynamical entropy Is defined as a statistical property of a dynamical scattering matrix, indexed by internal states of a...matrix U by enforcing certain internal symmetries that are a property of canonical transformation matrices (FCANON algorithm: Section IV...channels are present in Eq. (12). This low of accuracy is a property of the system of coupled differential equations, not of any particular method of

A quasi-classical study of energy transfer in collisions of hyperthermal H atoms with SO2 molecules.

PubMed

da Silva, Ramon S; Garrido, Juan D; Ballester, Maikel Y

2017-08-28

A deep understanding of energy transfer processes in molecular collisions is at central attention in physical chemistry. Particularly vibrational excitation of small molecules colliding with hot light atoms, via a metastable complex formation, has shown to be an efficient manner of enhancing reactivity. A quasi-classical trajectory study of translation-to-vibration energy transfer (T-V ET) in collisions of hyperthermal H( 2 S) atoms with SO 2 (X̃ 1 A ' ) molecules is presented here. For such a study, a double many-body expansion potential energy surface previously reported for HSO 2 ( 2 A) is used. This work was motivated by recent experiments by Ma et al. studying collisions of H + SO 2 at the translational energy of 59 kcal/mol [J. Ma et al., Phys. Rev. A 93, 040702 (2016)]. Calculations reproduce the experimental evidence that during majority of inelastic non-reactive collision processes, there is a metastable intermediate formation (HOSO or HSO 2 ). Nevertheless, the analysis of the trajectories shows that there are two distinct mechanisms in the T-V ET process: direct and indirect. Direct T-V processes are responsible for the high population of SO 2 with relatively low vibrational excitation energy, while indirect ones dominate the conversion from translational energy to high values of the vibrational counterpart.

The "Collisions Cube" Molecular Dynamics Simulator.

ERIC Educational Resources Information Center

Nash, John J.; Smith, Paul E.

1995-01-01

Describes a molecular dynamics simulator that employs ping-pong balls as the atoms or molecules and is suitable for either large lecture halls or small classrooms. Discusses its use in illustrating many of the fundamental concepts related to molecular motion and dynamics and providing a three-dimensional perspective of molecular motion. (JRH)

Coalescence and Collisions of Gold Nanoparticles

PubMed Central

Antúnez-García, Joel; Mejía-Rosales, Sergio; Pérez-Tijerina, Eduardo; Montejano-Carrizales, Juan Martín; José-Yacamán, Miguel

2011-01-01

We study the assembling of small gold clusters subject to collisions and close contact coalescence by using molecular dynamics simulations to simulate events that occur typically in the sputtering process of synthesis. Our results support the notion that the kinetics of coalescence processes strongly determine the geometry and structure of the final particle. While impact velocities, relative orientations, and the initial shape of the interacting particles are unlikely to strictly determine the structural details of the newly formed particle, we found that high initial temperatures and/or impact velocities increase the probability of appearance of icosahedral-like structures, Wulff polyhedra are likely to be formed as a product of the interactions between nanospheres, while the appearance of fcc particles of approximately cuboctahedral shape is mainly due to the interaction between icosahedra. PMID:28879995

Coalescence and Collisions of Gold Nanoparticles.

PubMed

Antúnez-García, Joel; Mejía-Rosales, Sergio; Pérez-Tijerina, Eduardo; Montejano-Carrizales, Juan Martín; José-Yacamán, Miguel

2011-01-28

We study the assembling of small gold clusters subject to collisions and close contact coalescence by using molecular dynamics simulations to simulate events that occur typically in the sputtering process of synthesis. Our results support the notion that the kinetics of coalescence processes strongly determine the geometry and structure of the final particle. While impact velocities, relative orientations, and the initial shape of the interacting particles are unlikely to strictly determine the structural details of the newly formed particle, we found that high initial temperatures and/or impact velocities increase the probability of appearance of icosahedral-like structures, Wulff polyhedra are likely to be formed as a product of the interactions between nanospheres, while the appearance of fcc particles of approximately cuboctahedral shape is mainly due to the interaction between icosahedra.

Dynamic processes in heavy-ion collisions at intermediate energies

NASA Astrophysics Data System (ADS)

Prendergast, E. P.

1999-03-01

This thesis describes the study of the reaction dynamics in heavy-ion collisions of small nuclear systems at intermediate energies. For this, experiments were performed of 24Mg+27A1 at 45 and 95 AMeV. The experiments described in this thesis were performed at the GANIL accelerator facility in Caeri (France) using the Huygens detectors in conjunction with the ‘MUR’. The Huygens detectors consist of the CsI(Tl)-Wall (CIW) covering the backward hemisphere and, located at mid-rapidity, the central trigger detector (CTD), a gas chamber with microstrip read-out backed by 48 plastic scintillators. The forward region is covered by 16 of the plastic scintillators of the CTD and by the MUR, a time-of-flight wall consisting of 96 plastic scintillator sheets. In earlier experiments only fragments with atomic number, Z, greater then two could be identifled in the CTD. Therefore, an investigation was done into the properties of different drift gases. The use of freon (CF4) in the drift chamber, combined with an increase of the gas pressure to 150 mbar, makes it possible to identify all particles with Z ≥ 2. Under these conditions particles with Z = 1 can only be identifled to approximately 25 AMeV. The Isospin Quantum Molecular Dynamics (IQMD) model has been used, to interpret the measured data. This model gives a microscopical description of heavy-ion collisions and simulates collisions on an event by event basis. In IQMD all protons and neutrons are represented as individual Gaussian wave packets. After initialisation the path of each nucleon is calculated for 200 fm/c, after which the simulation is stopped. At this time, nucleons which are close in space are clustered into fragments. The events generated by IQMD can then be processed by a GEANT detector simulation. This calculation takes into account the effects of the detector on the incoming particles. By using the GEANT simulation it is possible to give a direct comparison between the results of IQMD and the

Collisional and radiative processes in high-pressure discharge plasmas

NASA Astrophysics Data System (ADS)

Becker, Kurt H.; Kurunczi, Peter F.; Schoenbach, Karl H.

2002-05-01

Discharge plasmas at high pressures (up to and exceeding atmospheric pressure), where single collision conditions no longer prevail, provide a fertile environment for the experimental study of collisions and radiative processes dominated by (i) step-wise processes, i.e., the excitation of an already excited atomic/molecular state and by (ii) three-body collisions leading, for instance, to the formation of excimers. The dominance of collisional and radiative processes beyond binary collisions involving ground-state atoms and molecules in such environments allows for many interesting applications of high-pressure plasmas such as high power lasers, opening switches, novel plasma processing applications and sputtering, absorbers and reflectors for electromagnetic waves, remediation of pollutants and waste streams, and excimer lamps and other noncoherent vacuum-ultraviolet light sources. Here recent progress is summarized in the use of hollow cathode discharge devices with hole dimensions in the range 0.1-0.5 mm for the generation of vacuum-ultraviolet light.

The COLA Collision Avoidance Method

NASA Astrophysics Data System (ADS)

Assmann, K.; Berger, J.; Grothkopp, S.

2009-03-01

In the following we present a collision avoidance method named COLA. The method has been designed to predict collisions for Earth orbiting spacecraft on any orbits, including orbit changes, with other space-born objects. The point in time of a collision and the collision probability are determined. To guarantee effective processing the COLA method uses a modular design and is composed of several components which are either developed within this work or deduced from existing algorithms: A filtering module, the close approach determination, the collision detection and the collision probability calculation. A software tool which implements the COLA method has been verified using various test cases built from sample missions. This software has been implemented in the C++ programming language and serves as a universal collision detection tool at LSE Space Engineering & Operations AG.

Experimental study of the space-time development of the particle production process in hadron-nucleon collisions, using massive target nucleus as a detector

NASA Technical Reports Server (NTRS)

Strugalski, Z.

1985-01-01

Experimental study of the space-time development of the particle production process in hadronic collisions at its initial stage was performed. Massive target nuclei have been used as fine detectors of properties of the particle production process development within time intervals smaller than 10 to the 22nd power s and spatial distances smaller than 10 to the 12th power cm. In hadron-nucleon collisions, in particular in nucleon-nucleon collisions, the particle production process goes through intermediate objects in 2 yields 2 type endoergic reactions. The objects decay into commonly observed resonances and paricles.

Electromagnetic processes in nucleus-nucleus collisions relating to space radiation research

NASA Technical Reports Server (NTRS)

Norbury, John W.

1992-01-01

Most of the papers within this report deal with electromagnetic processes in nucleus-nucleus collisions which are of concern in the space radiation program. In particular, the removal of one and two nucleons via both electromagnetic and strong interaction processes has been extensively investigated. The theory of relativistic Coulomb fission has also been developed. Several papers on quark models also appear. Finally, note that the theoretical methods developed in this work have been directly applied to the task of radiation protection of astronauts. This has been done by parameterizing the theoretical formalism in such a fashion that it can be used in cosmic ray transport codes.

EUV emission spectra in collisions of highly charged tantalum ions with nitrogen and oxygen molecules

NASA Astrophysics Data System (ADS)

Tanuma, Hajime; Numadate, Naoki; Uchikura, Yoshiyuki; Shimada, Kento; Akutsu, Takuto; Long, Elaine; O'Sullivan, Gerry

2017-10-01

We have performed ion beam collision experiments using multiply charged tantalum ions and observed EUV (extreme ultra-violet) emission spectra in collisions of ions with molecular targets, N2 and O2. Broad UTAs (un-resolved transition arrays) from multiply charged Ta ions were observed, and the mean wavelengths of the UTAs shifted and became shorter at higher charge statea of Ta ions. These UTAs may be attributed to the 4f-5d and 4f-5g transitions. Not only the UTA emission from incident ions, but also the sharp emission lines from multiply charged fragment atomic ions were observed. Production of temporary highly charged molecular ions, their kinetic energy and fragmentation processes have been investigated with coincident detection technique. However, the observation of emission from the fragments might be for the first time. The formation mechanisms of the multiply charged fragment atomic ions from target molecules are discussed.

Rovibrational transitions of H2 by collision with H+ at high temperature

NASA Astrophysics Data System (ADS)

González-Lezana, T.; Honvault, P.

2017-05-01

The H+ + H2 reaction is studied by means of both exact and statistical quantum methods. Integral cross-sections for processes initiated with rotationally excited H2(v, j = 1) to produce molecular hydrogen in its rotational ground state are reported up to a value of the collision energy of 3 eV. Rate constants for state-to-state transitions between different H2 rovibrational states are calculated up to 3000 K. Special emphasis is made on ortho/para conversion processes in which the parity j of the H2(j) states changes.

Analyzing collision processes with the smartphone acceleration sensor

NASA Astrophysics Data System (ADS)

Vogt, Patrik; Kuhn, Jochen

2014-02-01

It has been illustrated several times how the built-in acceleration sensors of smartphones can be used gainfully for quantitative experiments in school and university settings (see the overview in Ref. 1). The physical issues in that case are manifold and apply, for example, to free fall,2 radial acceleration,3 several pendula, or the exploitation of everyday contexts.6 This paper supplements these applications and presents an experiment to study elastic and inelastic collisions. In addition to the masses of the two impact partners, their velocities before and after the collision are of importance, and these velocities can be determined by numerical integration of the measured acceleration profile.

Quantum control of quasi-collision states: A protocol for hybrid fusion

NASA Astrophysics Data System (ADS)

Vilela Mendes, R.

2018-04-01

When confined to small regions quantum systems exhibit electronic and structural properties different from their free space behavior. These properties are of interest, for example, for molecular insertion, hydrogen storage and the exploration of new pathways for chemical and nuclear reactions. Here, a confined three-body problem is studied, with emphasis on the study of the “quantum scars” associated to dynamical collisions. For the particular case of nuclear reactions, it is proposed that a molecular cage might simply be used as a confining device with the collision states accessed by quantum control techniques.

Stationary transport processes with unbounded collision operators

NASA Astrophysics Data System (ADS)

Greenberg, William; van der Mee, C. V. M.

1984-01-01

An abstract Hilbert space equation is studied, which models many of the stationary, one-dimensional transport equations with partial-range boundary conditions. In particular, the collision term may be unbounded and nondissipative. A complete existence and uniqueness theory is presented.

Influence of nuclear exchange on nonadiabatic electron processes in H(+)+H2 collisions.

PubMed

Errea, L F; Illescas, Clara; Macías, A; Méndez, L; Pons, B; Rabadán, I; Riera, A

2010-12-28

H(+)+H(2) collisions are studied by means of a semiclassical approach that explicitly accounts for nuclear rearrangement channels in nonadiabatic electron processes. A set of classical trajectories is used to describe the nuclear motion, while the electronic degrees of freedom are treated quantum mechanically in terms of a three-state expansion of the collision wavefunction. We describe electron capture and vibrational excitation, which can also involve nuclear exchange and dissociation, in the E = 2-1000 eV impact energy range. We compare dynamical results obtained with two parametrizations of the potential energy surface of H(3)(+) ground electronic state. Total cross sections for E > 10 eV agree with previous results using a vibronic close-coupling expansion, and with experimental data for E < 10 eV. Additionally, some prototypical features of both nuclear and electron dynamics at low E are discussed.

2010 Washington State collision data summary

DOT National Transportation Integrated Search

2011-07-08

The Washington State Department of Transportations (WSDOT) Statewide Travel and Collision Data Office (STCDO) is responsible for : collecting, processing, analyzing and disseminating traffic, roadway and collision data pertaining to all public roa...

The frequency and nature of `cloud-cloud collisions' in galaxies

NASA Astrophysics Data System (ADS)

Dobbs, C. L.; Pringle, J. E.; Duarte-Cabral, A.

2015-02-01

We investigate cloud-cloud collisions and giant molecular cloud evolution in hydrodynamic simulations of isolated galaxies. The simulations include heating and cooling of the interstellar medium (ISM), self-gravity and stellar feedback. Over time-scales <5 Myr most clouds undergo no change, and mergers and splits are found to be typically two-body processes, but evolution over longer time-scales is more complex and involves a greater fraction of intercloud material. We find that mergers or collisions occur every 8-10 Myr (1/15th of an orbit) in a simulation with spiral arms, and once every 28 Myr (1/5th of an orbit) with no imposed spiral arms. Both figures are higher than expected from analytic estimates, as clouds are not uniformly distributed in the galaxy. Thus, clouds can be expected to undergo between zero and a few collisions over their lifetime. We present specific examples of cloud-cloud interactions in our results, including synthetic CO maps. We would expect cloud-cloud interactions to be observable, but find they appear to have little or no impact on the ISM. Due to a combination of the clouds' typical geometries, and moderate velocity dispersions, cloud-cloud interactions often better resemble a smaller cloud nudging a larger cloud. Our findings are consistent with the view that spiral arms make little difference to overall star formation rates in galaxies, and we see no evidence that collisions likely produce massive clusters. However, to confirm the outcome of such massive cloud collisions we ideally need higher resolution simulations.

Charge Transfer Rate in Collisions of H + Ions with Si Atoms

NASA Astrophysics Data System (ADS)

Kimura, M.; Sannigrahi, A. B.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Shimamura, I.

1996-12-01

Charge transfer in Si(3P, 1D) + H+ collisions is studied theoretically by using a semiclassical molecular representation with six molecular channels for the triplet manifold and four channels for the singlet manifold at collision energies above 30 eV, and by using a fully quantum mechanical approach with two molecular channels for both triplet and singlet manifolds below 30 eV. The ab initio potential curves and nonadiabatic coupling matrix elements for the HSi+ system are obtained from multireference single- and double-excitation configuration interaction (MRD-CI) calculations employing a relatively large basis set. The present rate coefficients for charge transfer to Si+(4P) formation resulting from H+ + Si(3P) collisions are found to be large with values from 1 x 10-10 cm-3 s-1 at 1000 K to 1 x 10-8 cm-3 s-1 at 100,000 K. The rate coefficient for Si+(2P) formation, resulting from H+ + Si(3P) collisions, is found to be much smaller because of a larger energy defect from the initial state. These calculated rates are much larger than those reported by Baliunas & Butler, who estimated a value of 10-11 cm-3 s-1 in their coronal plasma study. The present result may be relevant to the description of the silicon ionization equilibrium.

On the Collision Nature of Two Coronal Mass Ejections: A Review

NASA Astrophysics Data System (ADS)

Shen, Fang; Wang, Yuming; Shen, Chenglong; Feng, Xueshang

2017-08-01

Observational and numerical studies have shown that the kinematic characteristics of two or more coronal mass ejections (CMEs) may change significantly after a CME collision. The collision of CMEs can have a different nature, i.e. inelastic, elastic, and superelastic processes, depending on their initial kinematic characteristics. In this article, we first review the existing definitions of collision types including Newton's classical definition, the energy definition, Poisson's definition, and Stronge's definition, of which the first two were used in the studies of CME-CME collisions. Then, we review the recent research progresses on the nature of CME-CME collisions with the focus on which CME kinematic properties affect the collision nature. It is shown that observational analysis and numerical simulations can both yield an inelastic, perfectly inelastic, merging-like collision, or a high possibility of a superelastic collision. Meanwhile, previous studies based on a 3D collision picture suggested that a low approaching speed of two CMEs is favorable for a superelastic nature. Since CMEs are an expanding magnetized plasma structure, the CME collision process is quite complex, and we discuss this complexity. Moreover, the models used in both observational and numerical studies contain many limitations. All of the previous studies on collisions have not shown the separation of two colliding CMEs after a collision. Therefore the collision between CMEs cannot be considered as an ideal process in the context of a classical Newtonian definition. In addition, many factors are not considered in either observational analysis or numerical studies, e.g. CME-driven shocks and magnetic reconnections. Owing to the complexity of the CME collision process, a more detailed and in-depth observational analysis and simulation work are needed to fully understand the CME collision process.

Spin relaxation in ultracold collisions of molecular radicals with alkali-metal atoms

NASA Astrophysics Data System (ADS)

Tscherbul, Timur; Klos, Jacek; Zukowski, Piotr

2016-05-01

We present accurate quantum scattering calculations of spin relaxation in ultracold collisions of alkali-metal atoms and polar 2 Σ molecules CaH, SrF, and SrOH. The calculations employ state-of-the-art ab initio interaction potentials and a rigorous quantum theory of atom-molecule collisions in a magnetic field based on the total angular momentum representation. We will further discuss the relevance of the results to atom-molecule sympathetic cooling experiments in a magnetic trap.

Processes of hypernuclei formation in relativistic ion collisions

NASA Astrophysics Data System (ADS)

Botvina, Alexander; Bleicher, Marcus

2018-02-01

The study of hypernuclei in relativistic ion collisions open new opportunities for nuclear and particle physics. The main processes leading to the production of hypernuclei in these reactions are the disintegration of large excited hyper-residues (target- and projectile-like), and the coalescence of hyperons with other baryons into light clusters. We use the transport, coalescence and statistical models to describe the whole reaction, and demonstrate the effectiveness of this approach: These reactions lead to the abundant production of multi-strange nuclei and new hypernuclear states. A broad distribution of predicted hypernuclei in masses and isospin allows for investigating properties of exotic hypernuclei, as well as the hypermatter both at high and low temperatures. There is a saturation of the hypernuclei production at high energies, therefore, the optimal way to pursue this experimental research is to use the accelerator facilities of intermediate energies, like FAIR (Darmstadt) and NICA (Dubna).

Collision-spike sputtering of Au nanoparticles

DOE PAGES

Sandoval, Luis; Urbassek, Herbert M.

2015-08-06

Ion irradiation of nanoparticles leads to enhanced sputter yields if the nanoparticle size is of the order of the ion penetration depth. While this feature is reasonably well understood for collision-cascade sputtering, we explore it in the regime of collision-spike sputtering using molecular-dynamics simulation. For the particular case of 200-keV Xe bombardment of Au particles, we show that collision spikes lead to abundant sputtering with an average yield of 397 ± 121 atoms compared to only 116 ± 48 atoms for a bulk Au target. Only around 31 % of the impact energy remains in the nanoparticles after impact; themore » remainder is transported away by the transmitted projectile and the ejecta. As a result, the sputter yield of supported nanoparticles is estimated to be around 80 % of that of free nanoparticles due to the suppression of forward sputtering.« less

Threshold collision-induced dissociation of diatomic molecules: a case study of the energetics and dynamics of O2- collisions with Ar and Xe.

PubMed

Ahu Akin, F; Ree, Jongbaik; Ervin, Kent M; Kyu Shin, Hyung

2005-08-08

The energetics and dynamics of collision-induced dissociation of O2- with Ar and Xe targets are studied experimentally using guided ion-beam tandem mass spectrometry. The cross sections and the collision dynamics are modeled theoretically by classical trajectory calculations. Experimental apparent threshold energies are 2.1 and 1.1 eV in excess of the thermochemical O2- bond dissociation energy for argon and xenon, respectively. Classical trajectory calculations confirm the observed threshold behavior and the dependence of cross sections on the relative kinetic energy. Representative trajectories reveal that the bond dissociation takes place on a short time scale of about 50 fs in strong direct collisions. Collision-induced dissociation is found to be remarkably restricted to the perpendicular approach of ArXe to the molecular axis of O2-, while collinear collisions do not result in dissociation. The higher collisional energy-transfer efficiency of xenon compared with argon is attributed to both mass and polarizability effects.

Electron capture in collisions of N^+ with H and H^+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2004-05-01

Charge transfer processes due to collisions of N^+ with atomic hydrogen and H^+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potential curves and nonadiabatic radial and rotational coupling matrix elements obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1-500 eV/u will be presented and compared with existing experimental and theoretical data.

Estimating inelastic heavy-particle - hydrogen collision data. II. Simplified model for ionic collisions and application to barium-hydrogen ionic collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-12-01

Aims: A simplified model is derived for estimating rate coefficients for inelastic processes in low-energy collisions of heavy particles with hydrogen, in particular, the rate coefficients with high and moderate values. Such processes are important for non-local thermodynamic equilibrium modeling of cool stellar atmospheres. Methods: The derived method is based on the asymptotic approach for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: It is found that the rate coefficients are expressed via statistical probabilities and reduced rate coefficients. It is shown that the reduced rate coefficients for neutralization and ion-pair formation processes depend on single electronic bound energies of an atomic particle, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to barium-hydrogen ionic collisions. For the first time, rate coefficients are evaluated for inelastic processes in Ba+ + H and Ba2+ + H- collisions for all transitions between the states from the ground and up to and including the ionic state. Tables with calculated data 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/608/A33

Study of inelastic processes in Li+-Ar, K+-Ar, and Na+-He collisions in the energy range 0.5-10 keV

NASA Astrophysics Data System (ADS)

Lomsadze, Ramaz A.; Gochitashvili, Malkhaz R.; Kezerashvili, Roman Ya; Schulz, Michael

2017-11-01

Absolute cross sections are measured for charge-exchange, ionization, and excitation processes within the same experimental setup for the Li{}+-Ar, K{}+-Ar, and Na{}+-He collisions in the ion energy range of 0.5-10 keV. The results of the measurements and schematic correlation diagrams are used to analyze and determine the mechanisms for these processes. The experimental results show that the charge-exchange processes occur with high probabilities and electrons are predominantly captured in ground states. The contributions of various partial inelastic channels to the total ionization cross section are estimated, and a primary mechanism for the process is identified. In addition, the energy-loss spectrum is applied in order to estimate the relative contribution of different inelastic channels, and to determine the mechanisms for the ionization and for some excitation processes of Ar resonance lines for the {{{K}}}+-Ar collision system. The excitation cross sections for the helium and for the sodium doublet lines for the Na{}+-He collision system both reveal some unexpected features. A mechanism to explain this observation is suggested.

Collision partner selection schemes in DSMC: From micro/nano flows to hypersonic flows

NASA Astrophysics Data System (ADS)

Roohi, Ehsan; Stefanov, Stefan

2016-10-01

The motivation of this review paper is to present a detailed summary of different collision models developed in the framework of the direct simulation Monte Carlo (DSMC) method. The emphasis is put on a newly developed collision model, i.e., the Simplified Bernoulli trial (SBT), which permits efficient low-memory simulation of rarefied gas flows. The paper starts with a brief review of the governing equations of the rarefied gas dynamics including Boltzmann and Kac master equations and reiterates that the linear Kac equation reduces to a non-linear Boltzmann equation under the assumption of molecular chaos. An introduction to the DSMC method is provided, and principles of collision algorithms in the DSMC are discussed. A distinction is made between those collision models that are based on classical kinetic theory (time counter, no time counter (NTC), and nearest neighbor (NN)) and the other class that could be derived mathematically from the Kac master equation (pseudo-Poisson process, ballot box, majorant frequency, null collision, Bernoulli trials scheme and its variants). To provide a deeper insight, the derivation of both collision models, either from the principles of the kinetic theory or the Kac master equation, is provided with sufficient details. Some discussions on the importance of subcells in the DSMC collision procedure are also provided and different types of subcells are presented. The paper then focuses on the simplified version of the Bernoulli trials algorithm (SBT) and presents a detailed summary of validation of the SBT family collision schemes (SBT on transient adaptive subcells: SBT-TAS, and intelligent SBT: ISBT) in a broad spectrum of rarefied gas-flow test cases, ranging from low speed, internal micro and nano flows to external hypersonic flow, emphasizing first the accuracy of these new collision models and second, demonstrating that the SBT family scheme, if compared to other conventional and recent collision models, requires smaller

Uncovering molecular processes in crystal nucleation and growth by using molecular simulation.

PubMed

Anwar, Jamshed; Zahn, Dirk

2011-02-25

Exploring nucleation processes by molecular simulation provides a mechanistic understanding at the atomic level and also enables kinetic and thermodynamic quantities to be estimated. However, whilst the potential for modeling crystal nucleation and growth processes is immense, there are specific technical challenges to modeling. In general, rare events, such as nucleation cannot be simulated using a direct "brute force" molecular dynamics approach. The limited time and length scales that are accessible by conventional molecular dynamics simulations have inspired a number of advances to tackle problems that were considered outside the scope of molecular simulation. While general insights and features could be explored from efficient generic models, new methods paved the way to realistic crystal nucleation scenarios. The association of single ions in solvent environments, the mechanisms of motif formation, ripening reactions, and the self-organization of nanocrystals can now be investigated at the molecular level. The analysis of interactions with growth-controlling additives gives a new understanding of functionalized nanocrystals and the precipitation of composite materials. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A parallel algorithm for Hamiltonian matrix construction in electron-molecule collision calculations: MPI-SCATCI

NASA Astrophysics Data System (ADS)

Al-Refaie, Ahmed F.; Tennyson, Jonathan

2017-12-01

Construction and diagonalization of the Hamiltonian matrix is the rate-limiting step in most low-energy electron - molecule collision calculations. Tennyson (1996) implemented a novel algorithm for Hamiltonian construction which took advantage of the structure of the wavefunction in such calculations. This algorithm is re-engineered to make use of modern computer architectures and the use of appropriate diagonalizers is considered. Test calculations demonstrate that significant speed-ups can be gained using multiple CPUs. This opens the way to calculations which consider higher collision energies, larger molecules and / or more target states. The methodology, which is implemented as part of the UK molecular R-matrix codes (UKRMol and UKRMol+) can also be used for studies of bound molecular Rydberg states, photoionization and positron-molecule collisions.

Effect of molecular weight on polymer processability

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

Karg, R.F.

1983-01-01

Differences in rheological behavior due to the polymer molecular weight and molecular weight distribution have been shown with the MPT. SBR polymers having high molecular weight fractions develop higher stress relaxation time values due to the higher degree of polymer entanglements. Tests conducted at increasing temperatures show the diminishing influence of the polymer entanglements upon stress relaxation time. EPDM polymers show stress relaxation time and head pressure behavior which correlates with mill processability. As anticipated, compounded stock of EPDM have broad molecular weight distribution has higher stress relaxation time values than EPDM compounds with narrow molecular weight distribution.

Computational study of alkali-metal-noble gas collisions in the presence of nonresonant lasers - Na + Xe + h/2/pi/omega sub 1 + h/2/pi/omega sub 2 system

NASA Technical Reports Server (NTRS)

Devries, P. L.; Chang, C.; George, T. F.; Laskowski, B.; Stallcop, J. R.

1980-01-01

The collision of Na with Xe in the presence of both the rhodamine-110 dye laser and the Nd-glass laser is investigated within a quantum-mechanical close-coupled formalism, utilizing ab initio potential curves and transition dipole matrix elements. Both one- and two-photon processes are investigated; the Na + Xe system is not asymptotically resonant with the radiation fields, so that these processes can only occur in the molecular collision region. The one-photon processes are found to have measurable cross sections at relatively low intensities; even the two-photon process has a significant section for field intensities as low as 10 MW/sq cm.

Evolution and stability of shock waves in dissipative gases characterized by activated inelastic collisions.

PubMed

Sirmas, N; Radulescu, M I

2015-02-01

Previous experiments have revealed that shock waves driven through dissipative gases may become unstable, for example, in granular gases and in molecular gases undergoing strong relaxation effects. The mechanisms controlling these instabilities are not well understood. We successfully isolated and investigated this instability in the canonical problem of piston-driven shock waves propagating into a medium characterized by inelastic collision processes. We treat the standard model of granular gases, where particle collisions are taken as inelastic, with a constant coefficient of restitution. The inelasticity is activated for sufficiently strong collisions. Molecular dynamic simulations were performed for 30,000 particles. We find that all shock waves investigated become unstable, with density nonuniformities forming in the relaxation region. The wavelength of these fingers is found to be comparable to the characteristic relaxation thickness. Shock Hugoniot curves for both elastic and inelastic collisions were obtained analytically and numerically. Analysis of these curves indicates that the instability is not of the Bethe-Zeldovich-Thompson or D'yakov-Kontorovich type. Analysis of the shock relaxation rates and rates for clustering in a convected fluid element with the same thermodynamic history ruled out the clustering instability of a homogeneous granular gas. Instead, wave reconstruction of the early transient evolution indicates that the onset of instability occurs during repressurization of the gas following the initial relaxation of the medium behind the lead shock. This repressurization gives rise to internal pressure waves in the presence of strong density gradients. This indicates that the mechanism of instability is more likely of the vorticity-generating Richtmyer-Meshkov type, relying on the action of the inner pressure wave development during the transient relaxation.

Charge transfer in low-energy collisions of H with He+ and H+ with He in excited states

NASA Astrophysics Data System (ADS)

Loreau, J.; Ryabchenko, S.; Muñoz Burgos, J. M.; Vaeck, N.

2018-04-01

The charge transfer process in collisions of excited (n = 2, 3) hydrogen atoms with He+ and in collisions of excited helium atoms with H+ is studied theoretically. A combination of a fully quantum-mechanical method and a semi-classical approach is employed to calculate the charge-exchange cross sections at collision energies from 0.1 eV u‑1 up to 1 keV u‑1. These methods are based on accurate ab initio potential energy curves and non-adiabatic couplings for the molecular ion HeH+. Charge transfer can occur either in singlet or in triplet states, and the differences between the singlet and triplet spin manifolds are discussed. The dependence of the cross section on the quantum numbers n and l of the initial state is demonstrated. The isotope effect on the charge transfer cross sections, arising at low collision energy when H is substituted by D or T, is investigated. Rate coefficients are calculated for all isotopes up to 106 K. Finally, the impact of the present calculations on models of laboratory plasmas is discussed.

H(D) → D(H) + Cu(111) collision system: Molecular dynamics study of surface temperature effects

PubMed Central

Vurdu, Can D.; Güvenç, Ziya B.

2011-01-01

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London–Eyring–Polanyi–Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared

H(D) → D(H) + Cu(111) collision system: molecular dynamics study of surface temperature effects.

PubMed

Vurdu, Can D; Güvenç, Ziya B

2011-04-28

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London-Eyring-Polanyi-Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared and

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

PREFACE: XXV International Conference on Photonic, Electronic and Atomic Collisions

NASA Astrophysics Data System (ADS)

Becker, Uwe; Moshammer, Robert; Mokler, Paul; Ullrich, Joachim

2007-07-01

The XXVth ICPEAC in Freiburg marked a notable anniversary in collision physics: half a century ago the first conference in the series of International Conferences on the Physics of Electronic and Atomic Collisions (ICPEAC) was held in New York (1958). Since then, the development of electronic and atomic collision physics has seen tremendous progress. Starting during a time, when this field was regarded as somehow out-of-date, certainly not being in the main stream compared to particle and high-energy physics, it has expanded in a rather exceptional and unforeseen way. Over the years the original scope on electronic, atomic and heavy-ion collision physics was extended substantially to include upcoming expanding fields like synchrotron-radiation and strong-field laser-based atomic and molecular physics giving rise to a change of name to 'Photonic', Electronic and Atomic Collisions (ICPEAC) being used for the first time for the ICPEAC in Santa Fee in 2001. Nowadays, the ICPEAC has opened its agenda even more widely to other fields of atomic and molecular physics, such as interactions with clusters, bio-molecules and surfaces, to cold collisions, coherent control, femto- and attosecond physics and, with the Freiburg conference, to the application of free-electron lasers in the vacuum ultraviolet and soft x-ray regime, a field of potentially huge future impact in essentially all areas of science. In this larger context the XXVth ICPEAC in Freiburg with more than 800 participants set new standards. Representatives from all fields of Atomic, Molecular and Photon-based science came together and had very fruitful, inter-disciplinary discussions. This new forum of collision-based AMP physics will serve as a showcase example of future conferences, bridging not only the gap between different fields of collision physics but also, equally important, between different continents and cultures. The next ICPEAC is going to take place in Kalamazoo in North America, the one after that

Impact of Short-Range Forces on Defect Production from High-Energy Collisions

DOE PAGES

Stoller, R. E.; Tamm, A.; Béland, L. K.; ...

2016-04-25

Primary radiation damage formation in solid materials typically involves collisions between atoms that have up to a few hundred keV of kinetic energy. The distance between two colliding atoms can approach 0.05 nm during these collisions. At such small atomic separations, force fields fitted to equilibrium properties tend to significantly underestimate the potential energy of the colliding dimer. To enable molecular dynamics simulations of high-energy collisions, it is common practice to use a screened Coulomb force field to describe the interactions and to smoothly join this to the equilibrium force field at a suitable interatomic spacing. But, there is nomore » accepted standard method for choosing the parameters used in the joining process, and our results prove that defect production is sensitive to how the force fields are linked. A new procedure is presented that involves the use of ab initio calculations to determine the magnitude and spatial dependence of the pair interactions at intermediate distances, along with systematic criteria for choosing the joining parameters. Results are presented for the case of nickel, which demonstrate the use and validity of the procedure.« less

Radio-Frequency Emissions from Streamer Collisions: Implications for High-Energy Processes.

NASA Astrophysics Data System (ADS)

Luque, A.

2017-12-01

The production of energetic particles in a discharge corona is possibly linked to the collision of streamers of opposite polarities [Cooray et al. (2009), Kochkin et al. (2012), Østgaard et al. (2016)]. There is also experimental evidence linking it to radio-frequency emissions in the UHF frequency range (300 MHz-3 GHz) [Montanyà et al. (2015), Petersen and Beasley (2014)]. Here we investigate these two links by modeling the radio-frequency emissions emanating from an encounter between two counter-propagating streamers. Our numerical model combines self-consistently a conservative, high-order Finite-Volume scheme for electron transport with a Finite-Difference Time-Domain (FDTD) method for electromagnetic propagation. We also include the most relevant reactions for streamer propagation: impact ionization, dissociative attachment and photo-ionization. Our implementation benefits from massive parallelization by running on a General-Purpose Graphical Processing Unit (GPGPU). With this code we found that streamer encounters emit electromagnetic waves predominantly in the UHF range, supporting the hypothesis that streamer collisions are essential precursors of high-energy processes in electric discharges. References Cooray, V., et al., J. Atm. Sol.-Terr. Phys., 71, 1890, doi:10.1016/j.jastp.2009.07.010 (2009). Kochkin, P. O., et al., J. Phys. D, 45, 425202, doi: 10.1088/0022-3727/45/42/425202 (2012). Montanyà, J., et al., J. Atm. Sol.-Terr. Phys., 136, 94, doi:10.1016/j.jastp.2015.06.009, (2015). Østgaard, N., et al., J. Geophys. Res. (Atmos.), 121, 2939, doi:10.1002/2015JD024394 (2016). Petersen, D., and W. Beasley, Atmospheric Research, 135, 314, doi:10.1016/j.atmosres.2013.02.006 (2014).

Plasma and collision processes of hypervelocity meteorite impact in the prehistory of life

NASA Astrophysics Data System (ADS)

Managadze, G.

2010-07-01

have been explained by an identical process occurring in the plasma torch of hypervelocity collisions between submicron size dust particles. It is assumed that the processes occurred in the highly unbalanced hot plasma simultaneously with the synthesis of simple and complicated organic compounds, thereby ensuring their ordering and assembly. Bona fide experimental evidence presented below indicates that the physical fields generated in the plasma environment in the process of the formation and expansion of the torch meet the main requirements toward “true” local chiral fields. These fields were very likely to be capable to trigger the initial, weak breaking of enantiomer symmetry and determine the “sign” of the asymmetry of the bioorganic world. These fields could have worked as “trapping” fields influencing spontaneous processes occurring in highly overheated and nonequilibrium plasma in the state that is far from the thermodynamical branch of equilibrium and may have contributed to the formation of an environment needed for the synthesis of homochiral molecular structures, which, in turn, were needed for the emergence of the primary forms of living matter. It has been shown experimentally that the plasma-chemical processes in the torch have high catalytic properties and assure the rise of the chemical reaction rates by 10-100 million times. In the process of the plasma flyaway this in turn can assure the fast formation of simple and complicated organic compounds, including hyper-branched polymers. It is possible to assume that predominantly inorganic substances from meteorites were used for the synthesis of complicated organic compounds on early Earth. A laboratory experiment with hypervelocity impact plasma torch modelling by a laser with a Q-switch mode has shown the possibility of high-molecular organic compound synthesis, with mass of approximately 5000 a.m.u. by meteorite impact with an effective diameter of 100 mkm. The target contained only H, C, N

Crustal processes cause adakitic chemical signatures in syn-collision magmatism from SE Iran

NASA Astrophysics Data System (ADS)

Allen, Mark; Kheirkhah, Monireh; Neill, Iain

2015-04-01

Dehaj magmatism may have developed its geochemical signature during deep fractionation as the ascent of the magmas was impeded by thick orogenic crust. The rocks may be seen as just another part of the widespread syn-collision magmatism that has affected widespread areas of Turkey, Iran, Armenia and neighbouring countries in the last ~10-15 Ma, and need not be used as markers for debateable geodynamic events such as break-off. Adakites are also present in NE Iran without any obvious association with subduction processes. We argue that magmatism across much of the plateau is linked at least in part to mantle upwelling following Miocene slab break-off, but also to small-scale convection beneath the collision zone, as predicted by numerical modelling. Particular compositions such as those at Dehaj are influenced by local sources and differentiation processes, but there is no need for independent triggers for initial melting across disparate locations.

Stopping powers and cross sections due to two-photon processes in relativistic nucleus-nucleus collisions

NASA Technical Reports Server (NTRS)

Cheung, Wang K.; Norbury, John W.

1994-01-01

The effects of electromagnetic-production processes due to two-photon exchange in nucleus-nucleus collisions are discussed. Feynman diagrams for two-photon exchange are evaluated using quantum electrodynamics. The total cross section and stopping power for projectile and target nuclei of identical charge are found to be significant for heavy nuclei above a few GeV per nucleon-incident energy.

Centrality and collision system dependence of antiproton production from p+A to Au+Au collisions at AGS energies

NASA Technical Reports Server (NTRS)

Sako, H.; Ahle, L.; Akiba, Y.; Ashktorab, K.; Baker, M. D.; Beavis, D.; Britt, H. C.; Chang, J.; Chasman, C.; Chen, Z.;

Water interactions with condensed organic phases: a combined experimental and theoretical study of molecular-level processes

NASA Astrophysics Data System (ADS)

Johansson, Sofia M.; Kong, Xiangrui; Thomson, Erik S.; Papagiannakopoulos, Panos; Pettersson, Jan B. C.; Lovrić, Josip; Toubin, Céline

2016-04-01

Water uptake on aerosol particles modifies their chemistry and microphysics with important implications for air quality and climate. A large fraction of the atmospheric aerosol consists of organic aerosol particles or inorganic particles with condensed organic components. Here, we combine laboratory studies using the environmental molecular beam (EMB) method1 with molecular dynamics (MD) simulations to characterize water interactions with organic surfaces in detail. The over-arching aim is to characterize the mechanisms that govern water uptake, in order to guide the development of physics-based models to be used in atmospheric modelling. The EMB method enables molecular level studies of interactions between gases and volatile surfaces at near ambient pressure,1 and the technique may provide information about collision dynamics, surface and bulk accommodation, desorption and diffusion kinetics. Molecular dynamics simulations provide complementary information about the collision dynamics and initial interactions between gas molecules and the condensed phase. Here, we focus on water interactions with condensed alcohol phases that serve as highly simplified proxies for systems in the environment. Gas-surface collisions are in general found to be highly inelastic and result in efficient surface accommodation of water molecules. As a consequence, surface accommodation of water can be safely assumed to be close to unity under typical ambient conditions. Bulk accommodation is inefficient on solid alcohol and the condensed materials appear to produce hydrophobic surface structures, with limited opportunities for adsorbed water to form hydrogen bonds with surface molecules. Accommodation is significantly more efficient on the dynamic liquid alcohol surfaces. The results for n-butanol (BuOH) are particularly intriguing where substantial changes in water accommodation taking place over a 10 K interval below and above the BuOH melting point.2 The governing mechanisms for the

Collision-induced rotation in an arc-continent collision: Constrained by continuous GPS observations in Mindoro, Philippines

NASA Astrophysics Data System (ADS)

Rau, R.; Hung, H.; Yang, C.; Tsai, M.; Ching, K.; Bacolcol, T.; Solidum, R.; Chang, W.

2012-12-01

The Mindoro Island, situated at the southern end of the Manila trench, is a modern arc-continent collision. Seismic activity in Mindoro concentrates mainly in the northern segment of the island as part of the Manila subduction processes; in contrast, seismicity in the middle and the southern parts of the island is rather diffuse. Although the Mindoro Island has been experiencing intense seismic activities and is a type example of arc-continent collision, the modern mode of deformation of the Mindoro collision remains unclear. We have installed eight dual-frequency continuous GPS stations in the island since May 2010. The questions we want to address by using continuous GPS observations are (1) if there are still compressions within the Mindoro collision? Have they ceased as seen by the diffuse seismicity, or are the thrust faults locked? (2) What is the mode of deformation in the Mindoro collision and what are the roles of thrust and strike-slip faults playing in the collision? (3) How does the Mindoro collision compare with the other collision, such as the Taiwan orogen? Do they share similar characteristics for the subduction-collision transition zone? For the results of the first two years GPS measurements, if we take the Sablayan site near the southern end of the Manila trench as the reference station, a large counterclockwise rotation from south to north, with horizontal velocities of 1.9-31.1 mm/yr from 165 to 277 degrees, are found in the island. The deformation of the Mindoro is similar to the pattern of the transition zone from collision to subduction in northeastern Taiwan. This result suggests that collision-induced rotation is occurring in the Mindoro Island and the Mindoro arc-continent collision is still active.

Integrated Collision Avoidance System for Air Vehicle

NASA Technical Reports Server (NTRS)

Lin, Ching-Fang (Inventor)

2013-01-01

Collision with ground/water/terrain and midair obstacles is one of the common causes of severe aircraft accidents. The various data from the coremicro AHRS/INS/GPS Integration Unit, terrain data base, and object detection sensors are processed to produce collision warning audio/visual messages and collision detection and avoidance of terrain and obstacles through generation of guidance commands in a closed-loop system. The vision sensors provide more information for the Integrated System, such as, terrain recognition and ranging of terrain and obstacles, which plays an important role to the improvement of the Integrated Collision Avoidance System.

Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms.

PubMed

Horio, Takuya; Maeda, Satoshi; Kishimoto, Naoki; Ohno, Koichi

2006-09-28

Ionic-state-resolved collision energy dependence of Penning ionization cross sections for OCS with He*(2(3)S) metastable atoms was measured in a wide collision energy range from 20 to 350 meV. Anisotropic interaction potential for the OCS-He*(2(3)S) system was obtained by comparison of the experimental data with classical trajectory simulations. It has been found that attractive potential wells around the O and S atoms are clearly different in their directions. Around the O atom, the collinear approach is preferred (the well depth is ca. 90 meV), while the perpendicular approach is favored around the S atom (the well depth is ca. 40 meV). On the basis of the optimized potential energy surface and theoretical simulations, stereo reactivity around the O and S atoms was also investigated. The results were discussed in terms of anisotropy of the potential energy surface and the electron density distribution of molecular orbitals to be ionized.

Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen

NASA Astrophysics Data System (ADS)

Turner, A. R.; Cooper, D. L.; Wang, J. G.; Stancil, P. C.

2003-07-01

Charge transfer processes due to collisions of ground state B2+(2s 2S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with the existing experiments shows our results to be in good agreement. When E<80 eV/u, the differences between the current total MOCC cross sections with and without rotational coupling are small (<3%). Rotational coupling becomes more important with increasing energy: for collision energies E>400 eV/u, inclusion of rotational coupling increases the total cross section by 50% 80%, improving the agreement between the current calculations and experiments. For state-selective cross sections, rotational coupling induces mixing between different symmetries; however, its effect, especially at low collision energies, is not as important as had been suggested in previous work.

Molecular dynamics study of silicon carbide properties under external dynamic loading

NASA Astrophysics Data System (ADS)

Utkin, A. V.; Fomin, V. M.

2017-10-01

In this study, molecular dynamic simulations of high-velocity impact of a spherical 3C-SiC cluster, with a wide range of velocities (from 100 to 2600 m/s) and with a rigid wall, were performed. The analysis of the final structure shows that no structural phase transformation occurred in the material, despite the high pressure during the collision process.

GMC COLLISIONS AS TRIGGERS OF STAR FORMATION. I. PARAMETER SPACE EXPLORATION WITH 2D SIMULATIONS

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

Wu, Benjamin; Loo, Sven Van; Tan, Jonathan C.

We utilize magnetohydrodynamic (MHD) simulations to develop a numerical model for giant molecular cloud (GMC)–GMC collisions between nearly magnetically critical clouds. The goal is to determine if, and under what circumstances, cloud collisions can cause pre-existing magnetically subcritical clumps to become supercritical and undergo gravitational collapse. We first develop and implement new photodissociation region based heating and cooling functions that span the atomic to molecular transition, creating a multiphase ISM and allowing modeling of non-equilibrium temperature structures. Then in 2D and with ideal MHD, we explore a wide parameter space of magnetic field strength, magnetic field geometry, collision velocity, andmore » impact parameter and compare isolated versus colliding clouds. We find factors of ∼2–3 increase in mean clump density from typical collisions, with strong dependence on collision velocity and magnetic field strength, but ultimately limited by flux-freezing in 2D geometries. For geometries enabling flow along magnetic field lines, greater degrees of collapse are seen. We discuss observational diagnostics of cloud collisions, focussing on {sup 13}CO(J = 2–1), {sup 13}CO(J = 3–2), and {sup 12}CO(J = 8–7) integrated intensity maps and spectra, which we synthesize from our simulation outputs. We find that the ratio of J = 8–7 to lower-J emission is a powerful diagnostic probe of GMC collisions.« less

Fossil imprints of the Pan-African collision process revealed by seismic anisotropy in southern Madagasca

NASA Astrophysics Data System (ADS)

Tilmann, F. J.; Rindraharisaona, E. J.; Reiss, M. C.; Dreiling, J.; Rumpker, G.; Yuan, X.; Giese, J.; Priestley, K. F.; Wysession, M. E.; Barruol, G.; Rambolamanana, G.

2017-12-01

In the assembly of Pangaea during the Proterozoic Pan-African Orogeny and later rifting and break-up of Gondwanaland, Madagascar occupied a central position, sandwiched between East Africa and India-Seychelles. Today, its metamorphic terranes still bear witness to the collision process. In the SELASOMA project we have deployed a seismic array in southern Madagascar in order to determine the imprint of these events onto the present day-crustal structure. 25 broadband and 23 SP stations were deployed for a period of 1-2 years. We present an overview of the results of several studies (receiver functions, ambient noise surface wave analysis, SKS splitting) constraining the isotropic and anisotropic crustal structure of southern Madagascar based on this deployment, supplemented by permanent stations and the contemporaneous MACOMO and RHUM-RUM deployments. The upper and middle crust of the Archean and Proterozoic provinces is overall quite similar, but a remarkable difference is that the Archean crust shows clear signs of underplating; we surmise that the Proterozoic crust was lost in the Pan-African collision. Both horizontal (from shear-wave splitting) and radial (SH/SV from Love and Rayleigh discrepancy) anisotropy shows evidence of collisional processes. A 150 km-wide zone of anomalous splitting measurements (deviating from the APM-parallel fast directions in most of Madagascar) in the region, where several major fossil shear zones have been mapped, can be explained as a zone of extensive coherent deformation within the crust; fast directions here align with the dominant strike of the major fossil shear zones. Negative radial anisotropy (i.e., SV faster than SH) in the mid-crust, likewise interpreted to have been formed by the collision, highlights the likely role of vertical shearing, presumably caused by extensive folding. In the lower crust, however, positive radial anisotropy is found in most of the Proterozoic and Archean terranes, which, analogous to the

Basins in ARC-continental collisions

USGS Publications Warehouse

Draut, Amy E.; Clift, Peter D.; Busby, Cathy; Azor, Antonio

2012-01-01

Arc-continent collisions occur commonly in the plate-tectonic cycle and result in rapidly formed and rapidly collapsing orogens, often spanning just 5-15 My. Growth of continental masses through arc-continent collision is widely thought to be a major process governing the structural and geochemical evolution of the continental crust over geologic time. Collisions of intra-oceanic arcs with passive continental margins (a situation in which the arc, on the upper plate, faces the continent) involve a substantially different geometry than collisions of intra-oceanic arcs with active continental margins (a situation requiring more than one convergence zone and in which the arc, on the lower plate, backs into the continent), with variable preservation potential for basins in each case. Substantial differences also occur between trench and forearc evolution in tectonically erosive versus tectonically accreting margins, both before and after collision. We examine the evolution of trenches, trench-slope basins, forearc basins, intra-arc basins, and backarc basins during arc-continent collision. The preservation potential of trench-slope basins is low; in collision they are rapidly uplifted and eroded, and at erosive margins they are progressively destroyed by subduction erosion. Post-collisional preservation of trench sediment and trench-slope basins is biased toward margins that were tectonically accreting for a substantial length of time before collision. Forearc basins in erosive margins are usually floored by strong lithosphere and may survive collision with a passive margin, sometimes continuing sedimentation throughout collision and orogeny. The low flexural rigidity of intra-arc basins makes them deep and, if preserved, potentially long records of arc and collisional tectonism. Backarc basins, in contrast, are typically subducted and their sediment either lost or preserved only as fragments in melange sequences. A substantial proportion of the sediment derived from

Geochemical Interpretation of Collision Volcanism

NASA Astrophysics Data System (ADS)

Pearce, Julian

2014-05-01

collision type with extreme LILE and significant HFSE enrichment relative to MORB and with large negative Nb-Ta and Ti anomalies. Post-collision volcanism is usually ascribed to combinations of slab detachment, delamination, and slab roll back (orogenic) and extension (post-orogenic). The magma source is typically conductively-heated, sub-continental mantle lithosphere with composition and depth of melting depending on the nature and evolution of the collision zone in question. Geochemical patterns may be similar to those of syn-collision basalts or of intraplate, continental basalts - or transitional between these. This variability in space and time, though problematic for geochemical fingerprinting, can give clues to the polarity and development of the collision zone, for example by highlighting the distribution of subduction-modified mantle lithosphere and hence of pre-collision subduction zones. One characteristic common to this setting is a high crustal input resulting from the presence of a hot, thick 'crustal chemical filter' which is evident on geochemical projections that highlight AFC-type processes. Using this, and other, geochemical features it is possible to develop methodologies to at least partly see through the complexity of collision terranes.

Prediction of collision events: an EEG coherence analysis.

PubMed

Spapé, Michiel M; Serrien, Deborah J

2011-05-01

A common daily-life task is the interaction with moving objects for which prediction of collision events is required. To evaluate the sources of information used in this process, this EEG study required participants to judge whether two moving objects would collide with one another or not. In addition, the effect of a distractor object is evaluated. The measurements included the behavioural decision time and accuracy, eye movement fixation times, and the neural dynamics which was determined by means of EEG coherence, expressing functional connectivity between brain areas. Collision judgment involved widespread information processing across both hemispheres. When a distractor object was present, task-related activity was increased whereas distractor activity induced modulation of local sensory processing. Also relevant were the parietal regions communicating with bilateral occipital and midline areas and a left-sided sensorimotor circuit. Besides visual cues, cognitive and strategic strategies are used to establish a decision of events in time. When distracting information is introduced into the collision judgment process, it is managed at different processing levels and supported by distinct neural correlates. These data shed light on the processing mechanisms that support judgment of collision events; an ability that implicates higher-order decision-making. Copyright © 2011 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

1984 Bibliography of atomic and molecular processes

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

Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.

1985-04-01

This annotated bibliography includes papers on atomic and molecular processes published during 1984. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

1982 bibliography of atomic and molecular processes

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

Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.

1984-05-01

This annotated bibliography includes papers on atomic and molecular processes published during 1982. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

Molecular clouds in the NGC 6334 and NGC 6357 region: Evidence for a 100 pc-scale cloud-cloud collision triggering the Galactic mini-starbursts

NASA Astrophysics Data System (ADS)

Fukui, Yasuo; Kohno, Mikito; Yokoyama, Keiko; Torii, Kazufumi; Hattori, Yusuke; Sano, Hidetoshi; Nishimura, Atsushi; Ohama, Akio; Yamamoto, Hiroaki; Tachihara, Kengo

2018-03-01

We carried out new CO (J = 1-0, 2-1, and 3-2) observations with NANTEN2 and ASTE in the region of the twin Galactic mini-starbursts NGC 6334 and NGC 6357. We detected two velocity molecular components of 12 km s-1 velocity separation, which is continuous over 3° along the plane. In NGC 6334 the two components show similar two-peaked intensity distributions toward the young H II regions and are linked by a bridge feature. In NGC 6357 we found spatially complementary distribution between the two velocity components as well as a bridge feature in velocity. Based on these results we hypothesize that the two clouds in the two regions collided with each other in the past few Myr and triggered the formation of the starbursts over ˜ 100 pc. We suggest that the formation of the starbursts happened toward the collisional region of extent ˜ 10 pc with initial high molecular column densities. For NGC 6334 we present a scenario which includes spatial variation of the colliding epoch due to non-uniform cloud separation. The scenario possibly explains the apparent age differences among the young O stars in NGC 6334, which range from 104 yr to 106 yr; the latest collision happened within 105 yr toward the youngest stars in NGC 6334 I(N) and I which exhibit molecular outflows without H II regions. For NGC 6357 the O stars were formed a few Myr ago, and the cloud dispersal by the O stars is significant. We conclude that cloud-cloud collision offers a possible explanation of the mini-starburst over a 100 pc scale.

Molecular clouds in the NGC 6334 and NGC 6357 region; Evidence for a 100-pc-scale cloud-cloud collision triggering the Galactic mini-starbursts

NASA Astrophysics Data System (ADS)

Fukui, Yasuo; Kohno, Mikito; Yokoyama, Keiko; Torii, Kazufumi; Hattori, Yusuke; Sano, Hidetoshi; Nishimura, Atsushi; Ohama, Akio; Yamamoto, Hiroaki; Tachihara, Kengo

2018-03-01

We carried out new CO (J = 1-0, 2-1, and 3-2) observations with NANTEN2 and ASTE in the region of the twin Galactic mini-starbursts NGC 6334 and NGC 6357. We detected two velocity molecular components of 12 km s-1 velocity separation, which is continuous over 3° along the plane. In NGC 6334 the two components show similar two-peaked intensity distributions toward the young H II regions and are linked by a bridge feature. In NGC 6357 we found spatially complementary distribution between the two velocity components as well as a bridge feature in velocity. Based on these results we hypothesize that the two clouds in the two regions collided with each other in the past few Myr and triggered the formation of the starbursts over ˜ 100 pc. We suggest that the formation of the starbursts happened toward the collisional region of extent ˜ 10 pc with initial high molecular column densities. For NGC 6334 we present a scenario which includes spatial variation of the colliding epoch due to non-uniform cloud separation. The scenario possibly explains the apparent age differences among the young O stars in NGC 6334, which range from 104 yr to 106 yr; the latest collision happened within 105 yr toward the youngest stars in NGC 6334 I(N) and I which exhibit molecular outflows without H II regions. For NGC 6357 the O stars were formed a few Myr ago, and the cloud dispersal by the O stars is significant. We conclude that cloud-cloud collision offers a possible explanation of the mini-starburst over a 100-pc scale.

Molecular clouds in the NGC 6334 and NGC 6357 region: Evidence for a 100 pc-scale cloud-cloud collision triggering the Galactic mini-starbursts

NASA Astrophysics Data System (ADS)

Fukui, Yasuo; Kohno, Mikito; Yokoyama, Keiko; Torii, Kazufumi; Hattori, Yusuke; Sano, Hidetoshi; Nishimura, Atsushi; Ohama, Akio; Yamamoto, Hiroaki; Tachihara, Kengo

2018-05-01

We carried out new CO (J = 1-0, 2-1, and 3-2) observations with NANTEN2 and ASTE in the region of the twin Galactic mini-starbursts NGC 6334 and NGC 6357. We detected two velocity molecular components of 12 km s-1 velocity separation, which is continuous over 3° along the plane. In NGC 6334 the two components show similar two-peaked intensity distributions toward the young H II regions and are linked by a bridge feature. In NGC 6357 we found spatially complementary distribution between the two velocity components as well as a bridge feature in velocity. Based on these results we hypothesize that the two clouds in the two regions collided with each other in the past few Myr and triggered the formation of the starbursts over ˜ 100 pc. We suggest that the formation of the starbursts happened toward the collisional region of extent ˜ 10 pc with initial high molecular column densities. For NGC 6334 we present a scenario which includes spatial variation of the colliding epoch due to non-uniform cloud separation. The scenario possibly explains the apparent age differences among the young O stars in NGC 6334, which range from 104 yr to 106 yr; the latest collision happened within 105 yr toward the youngest stars in NGC 6334 I(N) and I which exhibit molecular outflows without H II regions. For NGC 6357 the O stars were formed a few Myr ago, and the cloud dispersal by the O stars is significant. We conclude that cloud-cloud collision offers a possible explanation of the mini-starburst over a 100 pc scale.

Adiabatic Variational Theory for Cold Atom-Molecule Collisions: Application to a Metastable Helium Atom Colliding with ortho- and para-Hydrogen Molecules.

PubMed

Pawlak, Mariusz; Shagam, Yuval; Klein, Ayelet; Narevicius, Edvardas; Moiseyev, Nimrod

2017-03-16

We recently developed an adiabatic theory for cold molecular collision experiments. In our previous application of this theory ( Pawlak, M.; et al. J. Chem. Phys. 2015 , 143 , 074114 ), we assumed that during the experiment the collision of an atom with a diatom takes place when the diatom is in the ground rotational state and is located in a plane. In this paper, we present how the variational approach of the adiabatic theory for low-temperature collision experiments can be used for the study a 5D collision between the atom and the diatomic molecule with no limitations on its rotational quantum states and no plane restrictions. Moreover, we show here the dramatic differences in the measured reaction rates of He(2 3 S 1 ) + ortho/para-H 2 → He(1s 2 ) + ortho/para-H 2 + + e - resulting from the anisotropic long-range interactions in the reaction. In collisions of metastable helium with molecular hydrogen in the ground rotational state, the isotropic potential term dominates the dynamics. When the collision is with molecular hydrogen in the first excited rotational state, the nonisotropic interactions play an important role in the dynamics. The agreement of our results with the latest experimental findings ( Klein , A. ; et al. Nat. Phys. 2017 , 13 , 35 - 38 ) is very good.

Collision of Dual Aggregates (CODA): Experimental observations of low-velocity collisions

NASA Astrophysics Data System (ADS)

Jorges, Jeffery; Dove, Adrienne; Colwell, Josh E.

2016-10-01

Low-velocity collisions are one of the driving factors that determine the particle size distribution and particle size evolution in planetary ring systems and in the early stages of planet formation. Collisions of sub-micron to decimeter-sized objects may result in particle growth by accretion, rebounding, or erosive processes that result in the production of additional smaller particles. Numerical simulations of these systems are limited by a need to understand these collisional parameters over a range of conditions. We present the results of a sequence of laboratory experiments designed to explore collisions over a range of parameter space . We are able to observe low-velocity collisions by conducting experiments in vacuum chambers in our 0.8-sec drop tower apparatus. Initial experiments utilize a variety of impacting spheres, including glass, Teflon, aluminum, stainless steel, and brass. These spheres are either used in their natural state or are "mantled" - coated with a few-mm thick layer of a cohesive powder. A high-speed, high-resolution video camera is used to record the motion of the colliding bodies. We track the particles to determine impactor speeds before and after collision, the impact parameter, and the collisional outcome. In the case of the mantled impactors, we can assess how much rotation is generated by the collision and estimate how much powder is released (i.e. how much mass is lost) due to the collision. We also determine how the coefficient of restitution varies as a function of material type, morphology, and impact velocity. With impact velocities ranging from about 20-100 cm/s we observe that mantling of particles significantly reduces their coefficients of restitution, but we see basically no dependence of the coefficient of restitution on the impact velocity, impact parameter, or system mass. The results of this study will contribute to a better empirical model of collisional outcomes that will be refined with numerical simulation of the

Formation of compact HII regions possibly triggered by cloud-cloud collision

NASA Astrophysics Data System (ADS)

Ohama, Akio; Torii, Kazufumi; Hasegawa, Keisuke; Fukui, Yasuo

2015-08-01

Compact HII regions are ionized by young high-mass star(s) and ~1000 compact HII regions are cataloged in the Galaxy (Urquhart et al. MNRAS 443, 1555-1586 (2014)). Compact HII regions are one of the major populations of Galactic HII regions. The molecular environments around compact HII regions are however not well understood due to lack of extensive molecular surveys. In order to better understand formation of exciting stars and compact HII regions, we have carried out a systematic study of molecular clouds toward compact HII regions by using the 12CO datasets obtained with the JCMT and NANTEN2 telescopes for l = 10 - 56, and present here the first results.In one of the present samples, RCW166, we have discovered that the HII region is associated with two molecular clouds whose velocity separation is ~10 km s-1 the two clouds show complimentary spatial distributions, where one of the clouds have a cavity-like distribution apparently embracing the other. We present an interpretation that the two clouds collided with each other and the cavity-like distribution represents a hole created by the collision in the larger cloud as modeled by Habe and Ohta (1992). Similar molecular distributions are often found in the other compact HII regions in the present study.A recent study by Torii et al. (2015, arXiv:1503.00070) indicates that the Spitzer bubble RCW120 was formed by cloud-cloud collision where the inside of the cavity is fully ionized by the exiting stars. RCW166, on the other hand, shows that only a small part of the cavity, the compact HII region, is ionized. We thus suggest that RCW166 represents an evolutionary stage corresponding to an earlier phase of RCW120 in the collision scenario.

Symmetrical collision of multiple vortex rings

NASA Astrophysics Data System (ADS)

Hernández, R. H.; Reyes, T.

2017-10-01

In this work, we investigate the motion, interaction, and simultaneous collision between many initially stable vortex rings arranged symmetrically in two initial configurations, three and six rings making an angle of 60 and 120° between their straight path lines, respectively. We report results for laminar vortex rings in air obtained through numerical simulations of the ring velocity, pressure, and vorticity fields, both in free flight and during the entire collision. Each collision was studied for small Reynolds numbers R e <1 03 based on both the self-induced velocity and diameter of the ring. The case of three rings produces secondary vortical structures formed by laterally expanding dipolar arms with top and bottom secondary vortex rings. The case of six colliding rings produces, as secondary structures, two big rings moving in opposite directions, a process that reminds us of the head-on collision of two rings [T. T. Lim and T. B. Nickels, "Instability and reconnection in the head-on collision of two vortex rings," Nature 357, 225-227 (1992)] under a hypothetical time reversal transformation. Both collisions display a characteristic kinetic energy evolution where mean collision stages can be identified within the range of Reynolds numbers investigated here.

Scattering resonances in bimolecular collisions between NO radicals and H2 challenge the theoretical gold standard

NASA Astrophysics Data System (ADS)

Vogels, Sjoerd N.; Karman, Tijs; Kłos, Jacek; Besemer, Matthieu; Onvlee, Jolijn; van der Avoird, Ad; Groenenboom, Gerrit C.; van de Meerakker, Sebastiaan Y. T.

2018-02-01

Over the last 25 years, the formalism known as coupled-cluster (CC) theory has emerged as the method of choice for the ab initio calculation of intermolecular interaction potentials. The implementation known as CCSD(T) is often referred to as the gold standard in quantum chemistry. It gives excellent agreement with experimental observations for a variety of energy-transfer processes in molecular collisions, and it is used to calibrate density functional theory. Here, we present measurements of low-energy collisions between NO radicals and H2 molecules with a resolution that challenges the most sophisticated quantum chemistry calculations at the CCSD(T) level. Using hitherto-unexplored anti-seeding techniques to reduce the collision energy in a crossed-beam inelastic-scattering experiment, a resonance structure near 14 cm-1 is clearly resolved in the state-to-state integral cross-section, and a unique resonance fingerprint is observed in the corresponding differential cross-section. This resonance structure discriminates between two NO-H2 potentials calculated at the CCSD(T) level and pushes the required accuracy beyond the gold standard.

Rotational and translational effects in collisions of electronically excited diatomic hydrides

NASA Technical Reports Server (NTRS)

Crosley, David R.

1988-01-01

Collisional quenching and vibrational energy proceed competitively with rotational energy transfer for several excited states of the diatomic radicals OH, NH, and CH. This occurs for a wide variety of molecular collision partners. This phenomenon permits the examination of the influence of rotational motion on the collision dynamics of these theoretically tractable species. Measurements can also be made as a function of temperature, i.e., collision velocity. In OH (sup 2 sigma +), both vibrational transfer and quenching are found to decrease with an increase in rotational level, while quenching decreases with increasing temperature. This behavior indicates that for OH, anisotropic attractive forces govern the entrance channel dynamics for these collisions. The quenching of NH (sup 3 pi sub i) by many (although not all) collision partners also decreases with increasing rotational and translational energy, and NH (sup 1 pi) behaves much like OH (sup 2 sigma +). However, the quenching of CH (sup 2 delta) appears to decrease with increasing rotation but increases with increasing temperature, suggesting in this case anisotropic forces involving a barrier or repulsive wall. Such similarities and differences should furnish useful comparisons with both simple and detailed theoretical pictures of the appropriate collision dynamics.

Collision Visualization of a Laser-Scanned Point Cloud of Streets and a Festival Float Model Used for the Revival of a Traditional Procession Route

NASA Astrophysics Data System (ADS)

Li, W.; Shigeta, K.; Hasegawa, K.; Li, L.; Yano, K.; Tanaka, S.

2017-09-01

Recently, laser-scanning technology, especially mobile mapping systems (MMSs), has been applied to measure 3D urban scenes. Thus, it has become possible to simulate a traditional cultural event in a virtual space constructed using measured point clouds. In this paper, we take the festival float procession in the Gion Festival that has a long history in Kyoto City, Japan. The city government plans to revive the original procession route that is narrow and not used at present. For the revival, it is important to know whether a festival float collides with houses, billboards, electric wires or other objects along the original route. Therefore, in this paper, we propose a method for visualizing the collisions of point cloud objects. The advantageous features of our method are (1) a see-through visualization with a correct depth feel that is helpful to robustly determine the collision areas, (2) the ability to visualize areas of high collision risk as well as real collision areas, and (3) the ability to highlight target visualized areas by increasing the point densities there.

Matter-wave entanglement and teleportation by molecular dissociation and collisions.

PubMed

Opatrný, T; Kurizki, G

2001-04-02

We propose dissociation of cold diatomic molecules as a source of atom pairs with highly correlated (entangled) positions and momenta, approximating the original quantum state introduced by Einstein, Podolsky, and Rosen (EPR) [Phys. Rev. 47, 777 (1935)]. Wave packet teleportation is shown to be achievable by its collision with one of the EPR correlated atoms and manipulation of the other atom in the pair.

Matter-Wave Entanglement and Teleportation by Molecular Dissociation and Collisions

NASA Astrophysics Data System (ADS)

Opatrný, T.; Kurizki, G.

2001-04-01

We propose dissociation of cold diatomic molecules as a source of atom pairs with highly correlated (entangled) positions and momenta, approximating the original quantum state introduced by Einstein, Podolsky, and Rosen (EPR) [Phys. Rev. 47, 777 (1935)]. Wave packet teleportation is shown to be achievable by its collision with one of the EPR correlated atoms and manipulation of the other atom in the pair.

The formation of a Spitzer bubble RCW 79 triggered by a cloud-cloud collision

NASA Astrophysics Data System (ADS)

Ohama, Akio; Kohno, Mikito; Hasegawa, Keisuke; Torii, Kazufumi; Nishimura, Atsushi; Hattori, Yusuke; Hayakawa, Takahiro; Inoue, Tsuyoshi; Sano, Hidetoshi; Yamamoto, Hiroaki; Tachihara, Kengo; Fukui, Yasuo

2018-05-01

Understanding the mechanism of O-star formation is one of the most important current issues in astrophysics. Also an issue of keen interest is how O stars affect their surroundings and trigger secondary star formation. An H II region RCW 79 is one of the typical Spitzer bubbles alongside RCW 120. New observations of CO J = 1-0 emission with Mopra and NANTEN2 revealed that molecular clouds are associated with RCW 79 in four velocity components over a velocity range of 20 km s-1. We hypothesize that two of the clouds collided with each other and the collision triggered the formation of 12 O stars inside the bubble and the formation of 54 low-mass young stellar objects along the bubble wall. The collision is supported by observational signatures of bridges connecting different velocity components in the colliding clouds. The whole collision process happened over a timescale of ˜3 Myr. RCW 79 has a larger size by a factor of 30 in the projected area than RCW 120 with a single O star, and the large size favored formation of the 12 O stars due to the greater accumulated gas in the collisional shock compression.

Collision statistics, thermodynamics, and transport coefficients of hard hyperspheres in three, four, and five dimensions

NASA Astrophysics Data System (ADS)

Lue, L.

2005-01-01

The collision statistics of hard hyperspheres are investigated. An exact, analytical formula is developed for the distribution of speeds of a sphere on collision, which is shown to be related to the average time between collisions for a sphere with a particular velocity. In addition, the relationship between the collision rate and the compressibility factor is generalized to arbitrary dimensions. Molecular dynamics simulations are performed for d=3, 4, and 5 dimensional hard-hypersphere fluids. From these simulations, the equation of state of these systems, the self-diffusion coefficient, the shear viscosity, and the thermal conductivity are determined as a function of density. Various aspects of the collision statistics and their dependence on the density and dimensionality of the system are also studied.

Methods for Processing and Interpretation of AIS Signals Corrupted by Noise and Packet Collisions

NASA Astrophysics Data System (ADS)

Poļevskis, J.; Krastiņš, M.; Korāts, G.; Skorodumovs, A.; Trokšs, J.

2012-01-01

The authors deal with the operation of Automatic Identification System (AIS) used in the marine traffic monitoring to broadcast messages containing information about the vessel: id, payload, size, speed, destination etc., meant primarily for avoidance of ship collisions. To extend the radius of AIS operation, it is envisaged to dispose its receivers on satellites. However, in space, due to a large coverage area, interfering factors are especially pronounced - such as packet collision, Doppler's shift and noise impact on AIS message receiving, pre-processing and decoding. To assess the quality of an AIS receiver's operation, a test was carried out in which, varying automatically frequency, amplitude, noise, and other parameters, the data on the ability of the receiver's ability to decode AIS signals are collected. In the work, both hardware- and software-based AIS decoders were tested. As a result, quite satisfactory statistics has been gathered - both on the common and the differing features of such decoders when operating in space. To obtain reliable data on the software-defined radio AIS receivers, further research is envisaged.

Effect of Particle Size and Impact Velocity on Collision Behaviors Between Nano-Scale TiN Particles: MD Simulation.

PubMed

Yao, Hai-Long; Hu, Xiao-Zhen; Yang, Guan-Jun

2018-06-01

Inter-particle bonding formation which determines qualities of nano-scale ceramic coatings is influenced by particle collision behaviors during high velocity collision processes. In this study, collision behaviors between nano-scale TiN particles with different diameters were illuminated by using Molecular Dynamics simulation through controlling impact velocities. Results show that nano-scale TiN particles exhibit three states depending on particle sizes and impact velocities, i.e., bonding, bonding with localized fracturing, and rebounding. These TiN particles states are summarized into a parameter selection map providing an overview of the conditions in terms of particle sizes and velocities. Microstructure results show that localized atoms displacement and partial fracture around the impact region are main reasons for bonding formation of nano-scale ceramic particles, which shows differences from conventional particles refining and amorphization. A relationship between the adhesion energy and the rebound energy is established to understand bonding formation mechanism for nano-scale TiN particle collision. Results show that the energy relationship is depended on the particle sizes and impact velocities, and nano-scale ceramic particles can be bonded together as the adhesion energy being higher than the rebound energy.

Negative ion formation in potassium-nitromethane collisions.

PubMed

Antunes, R; Almeida, D; Martins, G; Mason, N J; Garcia, G; Maneira, M J P; Nunes, Y; Limão-Vieira, P

2010-10-21

Ion-pair formation in gaseous nitromethane (CH(3)NO(2)) induced by electron transfer has been studied by investigating the products of collisions between fast potassium atoms and nitromethane molecules using a crossed molecular-beam technique. The negative ions formed in such collisions were analysed using time-of-flight mass spectroscopy. The six most dominant product anions are NO(2)(-), O(-), CH(3)NO(2)(-), OH(-), CH(2)NO(2)(-) and CNO(-). By using nitromethane-d(3) (CD(3)NO(2)), we found that previous mass 17 amu assignment to O(-) delayed fragment, is in the present experiment may be unambiguously assigned to OH(-). The formation of CH(2)NO(2)(-) may be explained in terms of dissociative electron attachment to highly vibrationally excited molecules.

Final Report. The 2015 Conference on the Dynamics of Molecular Collisions

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

Suits, Arthur G.

The 25th The Conference on the Dynamics of Molecular Collisions (DMC) was held from July 12-17, 2015. The Conference provides a unique platform and focal point for the gathering of experimentalists and theoreticians in the field of chemical dynamics. Since its inauguration in 1965, it has played an irreplaceable role in the development of this field and of many distinguished careers. This 25th meeting was highly successful. We held ten oral sessions and four poster sessions. Nobel Laureate Yuan T. Lee presented the keynote lecture. At this meeting, celebrating 50 years of chemical reaction dynamics, one hundred thirty-seven attendees participated,more » forty-two talks were presented as well as fifty-nine posters.Many attendees remarked that it was the “best meeting of the year.” Results from the meeting and other contributions were collected in a special issue of the Journal of Physical Chemistry A, published December 17, 2015. With this proposal we sought support for students, post-doctoral researchers and junior scientists who needed financial support. The Department of Energy has a large program in gas phase chemistry and many of the speakers and session chairs at the meeting are presently supported by DOE, including Professor Millard Alexander and Carl Lineberger, the recipents of the 2015 Herschbach Prizes that were awarded at the meeting. Funds were used to supplement registration fees for students and post-docs and to cover registration fees for the six selected “hot topic” presentations.« less

Jet asymmetry and momentum imbalance from 2 →2 and 2 →3 partonic processes in relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Ayala, Alejandro; Dominguez, Isabel; Jalilian-Marian, Jamal; Tejeda-Yeomans, Maria Elena

2015-10-01

We study momentum imbalance as a function of jet asymmetry in high-energy heavy-ion collisions. To implement parton production during the collision, we include all leading order (LO) 2 →2 and 2 →3 parton processes in pQCD. The produced partons lose energy within the quark gluon plasma and hadronize collinearly when they leave it. The energy and momentum deposited into the plasma is described using linear viscous hydrodynamics with a constant energy loss per unit length and a total energy loss given by a Gaussian probability centered around a mean value E ¯ and a half-width Δ E . We argue that the shape of the asymmetry observed by the CERN-CMS Collaboration can indeed be attributed to parton energy loss in the medium and that a good description of data is achieved when one includes a slight enhancement coming from the contribution of 2 →3 parton processes that modifies the asymmetry distribution of the dijet events. We compare our results to CMS data for the most central collisions and study different values for E ¯ and Δ E .

Transition of the Taiwan-Ryukyu collision-subduction process as revealed by ocean-bottom seismometer observations

NASA Astrophysics Data System (ADS)

Chin, Shao-Jinn; Lin, Jing-Yi; Chen, Yen-Fu; Wu, Wen-Nan; Liang, Chin-Wei

2016-10-01

Located at the arc-continental collision region between the Eurasian (EP) and Philippine Sea Plates (PSP), Taiwan is usually considered to have a complex tectonic environment, particularly along the eastern coast of the island. To gain a better understanding of the geological evolution of the east Taiwan area, the data from 8 Ocean Bottom Seismometers (OBS) acquired during the Across Taiwan Strait Explosion Experiment in 2012 and 14 inland seismic stations were used to determine a more detailed and accurate distribution of marine earthquakes. Based on the 333 relocated earthquakes and available geophysical data, we suggest two main tectonic boundaries for eastern Taiwan. South of 23.25°N, the homogeneous distribution of earthquakes in the crustal portion for both the inland and offshore areas suggests an ongoing collisional process. North of this location, between approximately 23.25°N and 23.8°N, the abrupt increasing of seismicity depth infers that the underthrusted arc/fore-arc material is deforming due to the collisional compression at depth. In this segment, the subsidence of the arc/fore-arc area determines the transition from collision to subduction. North of 23.8°N, the northwestern dipping PSP is well illustrated by the seismicity both onshore and offshore, indicating a dominant subduction process.

Onset of radial flow in p + p collisions

DOE PAGES

Jiang, Kun; Zhu, Yinying; Liu, Weitao; ...

2015-02-23

It has been debated for decades whether hadrons emerging from p+p collisions exhibit collective expansion. The signal of the collective motion in p+p collisions is not as clear as in heavy-ion collisions because of the low multiplicity and large fluctuation in p+p collisions. Tsallis Blast-Wave (TBW) model is a thermodynamic approach, introduced to handle the overwhelming correlation and fluctuation in the hadronic processes. We have systematically studied the identified particle spectra in p+p collisions from RHIC to LHC using TBW and found no appreciable radial flow in p+p collisions below √s = 900 GeV. At LHC higher energy of 7more » TeV in p+p collisions, the radial flow velocity achieves an average of (β) = 0.320 ± 0.005. This flow velocity is comparable to that in peripheral (40-60%) Au+Au collisions at RHIC. In addition, breaking of the identified particle spectra m T scaling was also observed at LHC from a model independent test.« less

Peculiarities of structural transformations in metal nanoparticles at high speed collisions

NASA Astrophysics Data System (ADS)

Zolnikov, K. P.; Kryzhevich, D. S.; Korchuganov, A. V.

2018-01-01

A molecular dynamics simulation of nanosized particle collision under the electrical explosion of metal wires of different types was conducted. Interatomic interactions were described on the base of the embedded atom method. Used potentials allowed describing with high accuracy many mechanical and physical properties which are very important for the simulations of nanoparticle collisions with high velocities. The dynamics of the nanosized particle formation at the electric pulse explosion of metal wires of different types was studied. Features of particle collisions on the example of nanoscale particles of copper and nickel, whose velocities varied from 50 to 1500 m/s were investigated. The peculiarities of structural transformations in the colliding particles depending on the velocity of collision were determined. The intervals of collision velocities in which interaction between particles is elastic or leads to the formation of structural defects or melting were calculated. The analysis of the structure and distribution of chemical elements over the cross section of the particles which were synthesized under simultaneous explosions of different metal wires was carried out.

Proton-hydrogen collisions for Rydberg n,l-changing transitions in the early Universe

NASA Astrophysics Data System (ADS)

Vrinceanu, Daniel

2013-05-01

Cosmic Microwave Background (CMB) is a vestige radiation generated during the Recombination era, some 390,000 years after the Big Bang, when the Universe had become transparent for the first time. Initial observations of CMB made by the Wilkinson Microwave Anisotropy Probe (WMAP) led to determining the age of the Universe. The mechanisms that drove the recombination have been discovered by using modeling of the primordial plasma and seeking agreement with the observations. The new Plank Surveyor Instrument launched in 2009 is expected to produce data about the recombination era of an unprecedented accuracy, that require including better information regarding the basic atomic physics processes into the present models. In this talk, I will review the results for various Rydberg atom - charge particle collisions and establish their relative importance during the stages of recombination era, with respect to each other and to radiative processes. Energy changing and angular momentum changing collisions with electrons and ions are considered. This work has been supported by NSF through grants to the Institute for Theoretical Atomic and Molecular Physics at Harvard Smithsonian Center for Astrophysics and to the Center for Research on Complex Networks at Texas Southern University.

New Caledonia a classic example of an arc continent collision

NASA Astrophysics Data System (ADS)

Aitchison, J.

2011-12-01

The SW Pacific island of New Caledonia presents a classic example of an arc-continent collision. This event occurred in the Late Eocene when elements of an intra-oceanic island arc system, the Loyalty-D'Entrecasteaux arc, which stretched SSE from near Papua New Guinea east of New Caledonia to offshore New Zealand, collided with micro-continental fragments that had rifted off eastern Gondwana (Australia) in the late Cretaceous. Intervening Late Cretaceous to Paleogene oceanic crust of the South Loyalty Basin was eliminated through eastward subduction beneath this west-facing intra-oceanic island arc. As with many arc-continent collisions elsewhere collision was accompanied by ophiolite emplacement. The erosional remnants of which are extensive in New Caledonia. Collision led to subduction flip, followed by extensive rollback in front of the newly established east-facing Vitiaz arc. Post-collisional magmatism occurred after slab break-off and is represented by small-scale granitoid intrusions. Additional important features of New Caledonia include the presence of a regionally extensive UHP metamorphic terrain consisting of blueschists and eclogites that formed during the subduction process and were rapidly exhumed as a result of the collision Not only was collision and associated orogeny short-lived this collision system has not been overprinted by any major subsequent collision. New Caledonia thus provides an exceptional location for the study of processes related to arc-continent collision in general.

Quenching of Excited Na due to He Collisions

NASA Technical Reports Server (NTRS)

Lin, C. Y.; Stancil, P. C.; Liebermann, H. P.; Funke, P.; Buenker, R. J.

2006-01-01

The quenching and elastic scattering of excited Sodium by collisions with Helium have been investigated for energies between 10(exp -13) eV and 10 eV. With the ab initio adiabatic potentials and nonadiabatic radial and rotational couplings obtained from multireference single- and double-excitation configuration interaction approach, we carried out scattering calculations by the quantum-mechanical molecular-orbital close-coupling method. Cross sections for quenching reactions and elastic collisions are presented. Quenching and elastic collisional rate coefficients as a function of temperature between 1 micro-K and 10,000 K are also obtained. The results are relevant to modeling non-LTE effects on Na D absorption lines in extrasolar planets and brown dwarfs.

A bioinspired collision detection algorithm for VLSI implementation

NASA Astrophysics Data System (ADS)

Cuadri, J.; Linan, G.; Stafford, R.; Keil, M. S.; Roca, E.

2005-06-01

In this paper a bioinspired algorithm for collision detection is proposed, based on previous models of the locust (Locusta migratoria) visual system reported by F.C. Rind and her group, in the University of Newcastle-upon-Tyne. The algorithm is suitable for VLSI implementation in standard CMOS technologies as a system-on-chip for automotive applications. The working principle of the algorithm is to process a video stream that represents the current scenario, and to fire an alarm whenever an object approaches on a collision course. Moreover, it establishes a scale of warning states, from no danger to collision alarm, depending on the activity detected in the current scenario. In the worst case, the minimum time before collision at which the model fires the collision alarm is 40 msec (1 frame before, at 25 frames per second). Since the average time to successfully fire an airbag system is 2 msec, even in the worst case, this algorithm would be very helpful to more efficiently arm the airbag system, or even take some kind of collision avoidance countermeasures. Furthermore, two additional modules have been included: a "Topological Feature Estimator" and an "Attention Focusing Algorithm". The former takes into account the shape of the approaching object to decide whether it is a person, a road line or a car. This helps to take more adequate countermeasures and to filter false alarms. The latter centres the processing power into the most active zones of the input frame, thus saving memory and processing time resources.

Dynamics and kinetics of reversible homo-molecular dimerization of polycyclic aromatic hydrocarbons

NASA Astrophysics Data System (ADS)

Mao, Qian; Ren, Yihua; Luo, K. H.; van Duin, Adri C. T.

2017-12-01

Physical dimerization of polycyclic aromatic hydrocarbons (PAHs) has been investigated via molecular dynamics (MD) simulation with the ReaxFF reactive force field that is developed to bridge the gap between the quantum mechanism and classical MD. Dynamics and kinetics of homo-molecular PAH collision under different temperatures, impact parameters, and orientations are studied at an atomic level, which is of great value to understand and model the PAH dimerization. In the collision process, the enhancement factors of homo-molecular dimerizations are quantified and found to be larger at lower temperatures or with smaller PAH instead of size independent. Within the capture radius, the lifetime of the formed PAH dimer decreases as the impact parameter increases. Temperature and PAH characteristic dependent forward and reverse rate constants of homo-molecular PAH dimerization are derived from MD simulations, on the basis of which a reversible model is developed. This model can predict the tendency of PAH dimerization as validated by pyrene dimerization experiments [H. Sabbah et al., J. Phys. Chem. Lett. 1(19), 2962 (2010)]. Results from this study indicate that the physical dimerization cannot be an important source under the typical flame temperatures and PAH concentrations, which implies a more significant role played by the chemical route.

Collision cross section (CCS) measurement by ion cyclotron resonance mass spectrometry with short-time Fourier transform.

PubMed

Hu, Miao; Zhang, Linzhou; He, Shan; Xu, Chunming; Shi, Quan

2018-05-15

The collision cross section (CCS) is an important shape parameter which is often used in molecular structure investigation. In Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), the CCS affects the ion signal damping shape due to the effect of ion-neutral collisions. It is potential to obtain ion CCS values from FTICR-MS with the help of a proper ion-collision model. We have developed a rapid method to obtain the ion damping profile and CCS for mixtures by only one FTICR-MS measurement. The method utilizes short-time Fourier transform (STFT) to process FTICR-MS time domain signals. The STFT-processed result is a three-dimensional (3D) spectrum which has an additional time axis in addition to the conventional mass-to-charge ratio and intensity domains. The damping profile of each ion can be recognized from the 3D spectrum. After extracting the decay profile of a specified ion, all the three ion-neutral collision models were tested in curve fitting. The hard-sphere model was proven to be suitable for our experimental setup. A linear relationship was observed between the CCS value and hard-sphere model parameters. Therefore, the CCS values of all the peaks were obtained through the addition of internal model compounds and linear calibration. The proposed method was successfully applied to determine the CCSs of fatty acids and polyalanines in a petroleum gas oil matrix. This technique can be used for simultaneous measurement of cross sections for many ions in congested spectra. Copyright © 2018 John Wiley & Sons, Ltd.

The collision process deciphered form the systematic metamorphic pattern along the Qinling-Dabie-Hongseong collision belt between the North and South China(Korea-China) blocks

NASA Astrophysics Data System (ADS)

Oh, C. W.

2016-12-01

As a last step of formation of the Pangea supercontinent, the North China craton collided with the South China craton during Permo-Triassic time forming the Qinling-Dabie-Sulu collision belt. After the Qinling-Dabie-Sulu collision belt was found, the Imjingang belt in Korean Peninsula was suggested as an extension of the belt but evidences of collision belt such as eclogite and ophiolite, were not found from the belt. Whereas Triassic eclogite (ca. >230 Ma) was found in the Hongseong area and Triassic post collision igneous rocks (with ca. 230 Ma intrusion ages) occurred throughout the Gyeonggi massif locating to the north of the line connecting the Hongseong, Yangpyeong and Odesan areas. These new findings suggest the Permo-Triassic Qinling-Dabie-Sulu collision belt between the North and South China cratons extends into the Hongseong-Yangpyeong-Odesan collision belt in Korean Peninsula. Therefore I would like to suggest the North and South Korea-China cratons instead of the North and South China cratons. The collision had started from Korea at ca. 250 Ma and propagated towards China until late Triassic. The metamorphic conditions change systematically along the collision belt; ultrahigh-temperature metamorphism in the Odesan area (at 245 Ma; 9.0-10.6 kbar, 915-1160°C), high-P/T metamorphism in the Hongseong area (at > 230 Ma; 17.0-21.9 kbar, 835-860°C), ultrahigh-pressure metamorphism in the Dabie and Sulu belts (at 230-220 Ma; 30-40 kbar, 680-880°C), ultrahigh-pressure metamorphism in the Hongan belt (at 225-212 Ma; 31 kbar, 590-650°C) and blueschist facies metamorphism in the Qinling belt. The systematic increasing peak pressure condition and decreasing peak temperature condition from the Odesan to Dabie-Sulu belt, may be due to the increase in the depth of slab break-off towards west, which might be related to the increase of the amounts of subducted oceanic slab towards west. However, after the slab break-off in the Dabie-Sulu area, the depth of slab break

The dynamics of milk droplet-droplet collisions

NASA Astrophysics Data System (ADS)

Finotello, Giulia; Kooiman, Roeland F.; Padding, Johan T.; Buist, Kay A.; Jongsma, Alfred; Innings, Fredrik; Kuipers, J. A. M.

2018-01-01

Spray drying is an important industrial process to produce powdered milk, in which concentrated milk is atomized into small droplets and dried with hot gas. The characteristics of the produced milk powder are largely affected by agglomeration, combination of dry and partially dry particles, which in turn depends on the outcome of a collision between droplets. The high total solids (TS) content and the presence of milk proteins cause a relatively high viscosity of the fed milk concentrates, which is expected to largely influence the collision outcomes of drops inside the spray. It is therefore of paramount importance to predict and control the outcomes of binary droplet collisions. Only a few studies report on droplet collisions of high viscous liquids and no work is available on droplet collisions of milk concentrates. The current study therefore aims to obtain insight into the effect of viscosity on the outcome of binary collisions between droplets of milk concentrates. To cover a wide range of viscosity values, three milk concentrates (20, 30 and 46% TS content) are investigated. An experimental set-up is used to generate two colliding droplet streams with consistent droplet size and spacing. A high-speed camera is used to record the trajectories of the droplets. The recordings are processed by Droplet Image Analysis in MATLAB to determine the relative velocities and the impact geometries for each individual collision. The collision outcomes are presented in a regime map dependent on the dimensionless impact parameter and Weber ( We) number. The Ohnesorge ( Oh) number is introduced to describe the effect of viscosity from one liquid to another and is maintained constant for each regime map by using a constant droplet diameter ( d ˜ 700 μ m). In this work, a phenomenological model is proposed to describe the boundaries demarcating the coalescence-separation regimes. The collision dynamics and outcome of milk concentrates are compared with aqueous glycerol

InChIKey collision resistance: an experimental testing

PubMed Central

2012-01-01

InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.). InChIKey is designed to be a nearly unique substitute for the parent InChI. However, a single InChIKey may occasionally map to two or more InChI strings (collision). The appearance of collision itself does not compromise the signature as collision-free hashing is impossible; the only viable approach is to set and keep a reasonable level of collision resistance which is sufficient for typical applications. We tested, in computational experiments, how well the real-life InChIKey collision resistance corresponds to the theoretical estimates expected by design. For this purpose, we analyzed the statistical characteristics of InChIKey for datasets of variable size in comparison to the theoretical statistical frequencies. For the relatively short second block, an exhaustive direct testing was performed. We computed and compared to theory the numbers of collisions for the stereoisomers of Spongistatin I (using the whole set of 67,108,864 isomers and its subsets). For the longer first block, we generated, using custom-made software, InChIKeys for more than 3 × 1010 chemical structures. The statistical behavior of this block was tested by comparison of experimental and theoretical frequencies for the various four-letter sequences which may appear in the first block body. From the results of our computational experiments we conclude that the observed characteristics of InChIKey collision resistance are in good agreement with theoretical expectations. PMID:23256896

InChIKey collision resistance: an experimental testing.

PubMed

Pletnev, Igor; Erin, Andrey; McNaught, Alan; Blinov, Kirill; Tchekhovskoi, Dmitrii; Heller, Steve

2012-12-20

InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.). InChIKey is designed to be a nearly unique substitute for the parent InChI. However, a single InChIKey may occasionally map to two or more InChI strings (collision). The appearance of collision itself does not compromise the signature as collision-free hashing is impossible; the only viable approach is to set and keep a reasonable level of collision resistance which is sufficient for typical applications.We tested, in computational experiments, how well the real-life InChIKey collision resistance corresponds to the theoretical estimates expected by design. For this purpose, we analyzed the statistical characteristics of InChIKey for datasets of variable size in comparison to the theoretical statistical frequencies. For the relatively short second block, an exhaustive direct testing was performed. We computed and compared to theory the numbers of collisions for the stereoisomers of Spongistatin I (using the whole set of 67,108,864 isomers and its subsets). For the longer first block, we generated, using custom-made software, InChIKeys for more than 3 × 1010 chemical structures. The statistical behavior of this block was tested by comparison of experimental and theoretical frequencies for the various four-letter sequences which may appear in the first block body.From the results of our computational experiments we conclude that the observed characteristics of InChIKey collision resistance are in good agreement with theoretical expectations.

Momentum loss in proton-nucleus and nucleus-nucleus collisions

NASA Technical Reports Server (NTRS)

Khan, Ferdous; Townsend, Lawrence W.

1993-01-01

An optical model description, based on multiple scattering theory, of longitudinal momentum loss in proton-nucleus and nucleus-nucleus collisions is presented. The crucial role of the imaginary component of the nucleon-nucleon transition matrix in accounting for longitudinal momentum transfer is demonstrated. Results obtained with this model are compared with Intranuclear Cascade (INC) calculations, as well as with predictions from Vlasov-Uehling-Uhlenbeck (VUU) and quantum molecular dynamics (QMD) simulations. Comparisons are also made with experimental data where available. These indicate that the present model is adequate to account for longitudinal momentum transfer in both proton-nucleus and nucleus-nucleus collisions over a wide range of energies.

Theoretical investigation of the electron capture and loss processes in the collisions of He2+ + Ne.

PubMed

Hong, Xuhai; Wang, Feng; Jiao, Yalong; Su, Wenyong; Wang, Jianguo; Gou, Bingcong

2013-08-28

Based on the time-dependent density functional theory, a method is developed to study ion-atom collision dynamics, which self-consistently couples the quantum mechanical description of electron dynamics with the classical treatment of the ion motion. Employing real-time and real-space method, the coordinate space translation technique is introduced to allow one to focus on the region of target or projectile depending on the actual concerned process. The benchmark calculations are performed for the collisions of He(2+) + Ne, and the time evolution of electron density distribution is monitored, which provides interesting details of the interaction dynamics between the electrons and ion cores. The cross sections of single and many electron capture and loss have been calculated in the energy range of 1-1000 keV/amu, and the results show a good agreement with the available experiments over a wide range of impact energies.

Research on slow electron collision processes in gases. Final report, September 15, 1970--December 31, 1972

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

Baldwin, G C

1974-04-30

Research on low energy electron collisions in gases by the time-of- flight velocity selection technique included, as a preliminary to total cross section measurements, investigations of the statistical and systematic errors inherent in the technique. In particular, thermal transpiration and instrumental fluctuation errors in manometry were investigated, and the results embodied in computer programs for data reduction. The instrumental system was improved to permit extended periods of data accumulation without manual attention. Total cross section measurements in helium, made prior to, and in molecular nitrogen, made after the supporting work was completed, are reported. The total cross sec tion ofmore » helium is found to be higher than reported in previous beam determinations. That of nitrogen is found to be structureless at low energies. (auth)« less

1978 bibliography of atomic and molecular processes. [Bibliography

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

Not Available

This annotated bibliography lists 2557 works on atomic and molecular processes reported in publications dated 1978. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing are indexes of reactants and authors.

1979 bibliography of atomic and molecular processes. [Bibliography

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

None

1980-08-01

This annotated bibliography lists 2146 works on atomic and molecular processes reported in publications dated 1979. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory, to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing are indexes of reactants and authors.

Estimating inelastic heavy-particle-hydrogen collision data. I. Simplified model and application to potassium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-10-01

Aims: We derive a simplified model for estimating atomic data on inelastic processes in low-energy collisions of heavy-particles with hydrogen, in particular for the inelastic processes with high and moderate rate coefficients. It is known that these processes are important for non-LTE modeling of cool stellar atmospheres. Methods: Rate coefficients are evaluated using a derived method, which is a simplified version of a recently proposed approach based on the asymptotic method for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: The rate coefficients are found to be expressed via statistical probabilities and reduced rate coefficients. It turns out that the reduced rate coefficients for mutual neutralization and ion-pair formation processes depend on single electronic bound energies of an atom, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to potassium-hydrogen collisions. For the first time, rate coefficients are evaluated for inelastic processes in K+H and K++H- collisions for all transitions from ground states up to and including ionic states. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/606/A147

On the nature of intramolecular vibrational energy transfer in dense molecular environments

NASA Astrophysics Data System (ADS)

von Benten, Rebekka S.; Abel, Bernd

2010-12-01

Transient femtosecond-IR-pump-UV-absorption probe-spectroscopy has been employed to shed light on the nature of intramolecular vibrational energy transfer (IVR) in dense molecular environments ranging from the diluted gas phase to the liquid. A general feature in our experiments and those of others is that IVR proceeds via multiple timescales if overtones or combination vibrations of high frequency modes are excited. It has been found that collisions enhance IVR if its (slower) timescales can compete with collisions. This enhancement is, however, much more weaker and rather inefficient as opposed to the effect of collisions on intermolecular energy transfer which is well known. In a series of experiments we found that IVR depends not significantly on the average energy transferred in a collision but rather on the number of collisions. The collisions are much less efficient in affecting IVR than VET. We conclude that collision induced broadening of vibrational energy levels reduces the energy gaps and enhances existing couplings between tiers. The present results are an important step forward to rationalize and understand apparently different and not consistent results from different groups on different molecular systems between gas and liquid phases.

Planning 3-D collision-free paths using spheres

NASA Technical Reports Server (NTRS)

Bonner, Susan; Kelley, Robert B.

1989-01-01

A scheme for the representation of objects, the Successive Spherical Approximation (SSA), facilitates the rapid planning of collision-free paths in a 3-D, dynamic environment. The hierarchical nature of the SSA allows collision-free paths to be determined efficiently while still providing for the exact representation of dynamic objects. The concept of a freespace cell is introduced to allow human 3-D conceptual knowledge to be used in facilitating satisfying choices for paths. Collisions can be detected at a rate better than 1 second per environment object per path. This speed enables the path planning process to apply a hierarchy of rules to create a heuristically satisfying collision-free path.

Electronic excitation of Na due to low-energy He collisions

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Liebermann, H. P.

2005-05-01

In warm astrophysical environments electron collisions are the primary mechanism for thermalizing the internal energy of ambient atoms and molecules. However, in cool stellar and planetary atmospheres, the electron abundance is extremely low so that thermalization is only possible through collisions of the dominant neutral species, H2, He, and H. Typically, the neutral cross sections are much smaller than those due to electrons, so that the level populations of the atmospheric constituents may display departures from equilibrium. Unfortunately, these cross sections are generally not available for collision energies typical of stellar/planetary environments. In this work, we investigate the electronic excitation of Na due to collisions with He for energies near and just above threshold. The calculations are performed with the quantum-mechanical molecular-orbital close-coupling method utilizing ab initio adiabatic potential curves and nonadiabatic radial and rotational coupling matrix elements obtained from multireference single- and double- excitation configuration interaction approach. State-to-state cross sections and rate coefficients will be presented and compared with other theoretical and experimental data where available.

Inelastic rate coefficients for collisions of C6H- with H2 and He

NASA Astrophysics Data System (ADS)

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

2017-04-01

The recent detection of anions in the interstellar medium has shown that they exist in a variety of astrophysical environments - circumstellar envelopes, cold dense molecular clouds and star-forming regions. Both radiative and collisional processes contribute to molecular excitation and de-excitation in these regions so that the 'local thermodynamic equilibrium' approximation, where collisions cause the gas to behave thermally, is not generally valid. Therefore, along with radiative coefficients, collisional excitation rate coefficients are needed to accurately model the anionic emission from these environments. We focus on the calculation of state-to-state rate coefficients of the C6H- molecule in its ground vibrational state in collisions with para-H2, ortho-H2 and He using new potential energy surfaces. Dynamical calculations for the pure rotational excitation of C6H- were performed for the first 11 rotational levels (up to j1 = 10) using the close-coupling method, while the coupled-states approximation was used to extend the H2 rate coefficients to j1 = 30, where j1 is the angular momentum quantum number of C6H-. State-to-state rate coefficients were obtained for temperatures ranging from 2 to 100 K. The rate coefficients for H2 collisions for Δj1 = -1 transitions are of the order of 10-10 cm3 s-1, a factor of 2 to 3 greater than those of He. Propensity rules are discussed. The collisional excitation rate coefficients produced here impact astrophysical modelling since they are required for obtaining accurate C6H- level populations and line emission for regions that contain anions.

Ridge-trench collision in Archean and Post-Archean crustal growth: Evidence from southern Chile

NASA Technical Reports Server (NTRS)

Nelson, E. P.; Forsythe, R. D.

1988-01-01

The growth of continental crust at convergent plate margins involves both continuous and episodic processes. Ridge-trench collision is one episodic process that can cause significant magmatic and tectonic effects on convergent plate margins. Because the sites of ridge collision (ridge-trench triple junctions) generally migrate along convergent plate boundaries, the effects of ridge collision will be highly diachronous in Andean-type orogenic belts and may not be adequately recognized in the geologic record. The Chile margin triple junction (CMTJ, 46 deg S), where the actively spreading Chile rise is colliding with the sediment-filled Peru-Chile trench, is geometrically and kinematically the simplest modern example of ridge collision. The south Chile margin illustrates the importance of the ridge-collision tectonic setting in crustal evolution at convergent margins. Similarities between ridge-collision features in southern Chile and features of Archean greenstone belts raise the question of the importance of ridge collision in Archean crustal growth. Archean plate tectonic processes were probably different than today; these differences may have affected the nature and importance of ridge collision during Archean crustal growth. In conclusion, it is suggested that smaller plates, greater ridge length, and/or faster spreading all point to the likelihood that ridge collision played a greater role in crustal growth and development of the greenstone-granite terranes during the Archean. However, the effects of modern ridge collision, and the processes involved, are not well enough known to develop specific models for the Archean ridge collison.

Molecular three-body Brauner-Briggs-Klar theory for ion-impact ionization of molecules

NASA Astrophysics Data System (ADS)

Ghanbari-Adivi, E.

2016-12-01

Molecular three-body Brauner-Briggs-Klar (M3BBK) theory is developed to study the single ionization of diatomic molecules by ion impact. The orientation-averaged molecular orbital (OAMO) approximation is used to reduce the required computer time without sacrificing the performance of the method. The post-collision interaction (PCI) between the scattered projectile and the ejected electron is included. The theory is applied to collision of protons with hydrogen molecules. Results are obtained for two different kinematical regimes: i) fast collisions and low emission energies, and ii) not so fast collisions and higher emission energies. For both considered regimes, experimental fully differential cross-sections as well as different theoretical calculations are available for comparison. These comparisons are carried out and discussed.

Transport processes and sound velocity in vibrationally non-equilibrium gas of anharmonic oscillators

NASA Astrophysics Data System (ADS)

Rydalevskaya, Maria A.; Voroshilova, Yulia N.

2018-05-01

Vibrationally non-equilibrium flows of chemically homogeneous diatomic gases are considered under the conditions that the distribution of the molecules over vibrational levels differs significantly from the Boltzmann distribution. In such flows, molecular collisions can be divided into two groups: the first group corresponds to "rapid" microscopic processes whereas the second one corresponds to "slow" microscopic processes (their rate is comparable to or larger than that of gasdynamic parameters variation). The collisions of the first group form quasi-stationary vibrationally non-equilibrium distribution functions. The model kinetic equations are used to study the transport processes under these conditions. In these equations, the BGK-type approximation is used to model only the collision operators of the first group. It allows us to simplify derivation of the transport fluxes and calculation of the kinetic coefficients. Special attention is given to the connection between the formulae for the bulk viscosity coefficient and the sound velocity square.

MOLECULAR PROCESSES IN CELLULAR ARSENIC METABOLISM

EPA Science Inventory

Elucidating molecular processes that underlie accumulation, metabolism, and binding of iAs and its methylated metabolites provides a basis for understanding the modes of action by which iAs acts as a toxin and a carcinogen. One approach to this problem is to construct a conceptu...

The formation of massive molecular filaments and massive stars triggered by a magnetohydrodynamic shock wave

NASA Astrophysics Data System (ADS)

Inoue, Tsuyoshi; Hennebelle, Patrick; Fukui, Yasuo; Matsumoto, Tomoaki; Iwasaki, Kazunari; Inutsuka, Shu-ichiro

2018-05-01

Recent observations suggest an that intensive molecular cloud collision can trigger massive star/cluster formation. The most important physical process caused by the collision is a shock compression. In this paper, the influence of a shock wave on the evolution of a molecular cloud is studied numerically by using isothermal magnetohydrodynamics simulations with the effect of self-gravity. Adaptive mesh refinement and sink particle techniques are used to follow the long-time evolution of the shocked cloud. We find that the shock compression of a turbulent inhomogeneous molecular cloud creates massive filaments, which lie perpendicularly to the background magnetic field, as we have pointed out in a previous paper. The massive filament shows global collapse along the filament, which feeds a sink particle located at the collapse center. We observe a high accretion rate \\dot{M}_acc> 10^{-4} M_{⊙}yr-1 that is high enough to allow the formation of even O-type stars. The most massive sink particle achieves M > 50 M_{⊙} in a few times 105 yr after the onset of the filament collapse.

Collision dynamics of H+ + N2 at low energies based on time-dependent density-functional theory

NASA Astrophysics Data System (ADS)

Yu, W.; Zhang, Y.; Zhang, F. S.; Hutton, R.; Zou, Y.; Gao, C.-Z.; Wei, B.

2018-02-01

Using time-dependent density-functional theory at the level of local density approximation augmented by a self-interaction correction and coupled non-adiabatically to molecular dynamics, we study, from a theoretical perspective, scattering dynamics of the proton in collisions with the N2 molecule at 30 eV. Nine different collision configurations are employed to analyze the proton energy loss spectra, electron depletion, scattering angles and self-interaction effects. Our results agree qualitatively with the experimental data and previous theoretical calculations. The discrepancies are ascribed to the limitation of the theoretical models in use. We find that self-interaction effects can significantly influence the electron capture and the excited diatomic vibrational motion, which is in consistent with other calculations. In addition, it is found that the molecular structure can be readily retrieved from the proton energy loss spectra due to a significant momentum transfer in head-on collisions.

Process for attaching molecular wires and devices to carbon nanotubes and compositions thereof

NASA Technical Reports Server (NTRS)

Yang, Jiping (Inventor); Tour, James M. (Inventor); Bahr, Jeffrey L. (Inventor)

2008-01-01

The present invention is directed towards processes for covalently attaching molecular wires and molecular electronic devices to carbon nanotubes and compositions thereof. Such processes utilize diazonium chemistry to bring about this marriage of wire-like nanotubes with molecular wires and molecular electronic devices.

Ice particle collisions

NASA Astrophysics Data System (ADS)

Sampara, Naresh; Turnbull, Barbara; Hill, Richard; Swift, Michael

2017-04-01

Granular interactions of ice occur in a range of geophysical, astrophysical and industrial applications. For example, Saturn's Rings are composed of icy particles from micrometers to kilometres in size - inertial and yet too small to interact gravitationally. In clouds, ice crystals are smashed to pieces before they re-aggregate to for snow floccules in a process that is very much open to interpretation. In a granular flow of ice particles, the energy spent in collisions can lead to localized surface changes and wetting, which in turn can promote aggregation. To understand the induced wetting and its effects, we present two novel experimental methods which provide snippets of insight into the collisional behaviour of macroscopic ice particles. Experiment 1: Microgravity experiments provide minute details of the contact between the ice particles during the collision. A diamagnetic levitation technique, as alternative to the parabolic flight or falling tower experiments, was used to understand the collisional behaviour of individual macroscopic icy bodies. A refrigerated cylinder, that can control ambient conditions, was inserted into the bore of an 18 Tesla superconducting magnet and cooled to -10°C. Initial binary collisions were created, where one 4 mm ice particle was levitated in the magnet bore whilst another particle was dropped vertically from the top of the bore. The trajectories of both particles were captured by high speed video to provide the three-dimensional particle velocities and track the collision outcome. Introducing complexity, multiple particles were levitated in the bore and an azimuthal turbulent air flow introduced, allowing the particles to collide with other particles within a coherent fluid structure (mimicking Saturn's rings, or an eddy in a cloud). In these experiments, a sequence of collisions occur, each one different to the previous one due to the changes in surface characteristics created by the collisions themselves. Aggregation

A New Aloha Anti-Collision Algorithm Based on CDMA

NASA Astrophysics Data System (ADS)

Bai, Enjian; Feng, Zhu

The tags' collision is a common problem in RFID (radio frequency identification) system. The problem has affected the integrity of the data transmission during the process of communication in the RFID system. Based on analysis of the existing anti-collision algorithm, a novel anti-collision algorithm is presented. The new algorithm combines the group dynamic frame slotted Aloha algorithm with code division multiple access technology. The algorithm can effectively reduce the collision probability between tags. Under the same number of tags, the algorithm is effective in reducing the reader recognition time and improve overall system throughput rate.

Squeezed States and Particle Production in High Energy Collisions

NASA Technical Reports Server (NTRS)

Bambah, Bindu A.

1996-01-01

Using the 'quantum optical approach' we propose a model of multiplicity distributions in high energy collisions based on squeezed coherent states. We show that the k-mode squeezed coherent state is the most general one in describing hadronic multiplicity distributions in particle collision processes, describing not only p(bar-p) collisions but e(+)e(-), vp and diffractive collisions as well. The reason for this phenomenological fit has been gained by working out a microscopic theory in which the squeezed coherent sources arise naturally if one considers the Lorentz squeezing of hadrons and works in the covariant phase space formalism.

Isovector dipole resonance and shear viscosity in low energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Guo, C. Q.; Ma, Y. G.; He, W. B.; Cao, X. G.; Fang, D. Q.; Deng, X. G.; Zhou, C. L.

2017-05-01

The ratio of shear viscosity over entropy density in low energy heavy-ion collision has been calculated by using the Green-Kubo method in the framework of an extended quantum molecular dynamics model. After the system almost reaches a local equilibration for a head-on 40Ca+100Mo collision, thermodynamic and transport properties are extracted. Meanwhile, the isovector giant dipole resonance (IVGDR) of the collision system also is studied. By the Gaussian fits to the IVGDR photon spectra, the peak energies of the IVGDR are extracted at different incident energies. The result shows that the IVGDR peak energy has a positive correlation with the ratio of shear viscosity over entropy density. This is a quantum effect and indicates a difference between nuclear matter and classical fluid.

Transfer, loss and physical processing of water in hit-and-run collisions of planetary embryos

NASA Astrophysics Data System (ADS)

Burger, C.; Maindl, T. I.; Schäfer, C. M.

2018-01-01

Collisions between large, similar-sized bodies are believed to shape the final characteristics and composition of terrestrial planets. Their inventories of volatiles such as water are either delivered or at least significantly modified by such events. Besides the transition from accretion to erosion with increasing impact velocity, similar-sized collisions can also result in hit-and-run outcomes for sufficiently oblique impact angles and large enough projectile-to-target mass ratios. We study volatile transfer and loss focusing on hit-and-run encounters by means of smooth particle hydrodynamics simulations, including all main parameters: impact velocity, impact angle, mass ratio and also the total colliding mass. We find a broad range of overall water losses, up to 75% in the most energetic hit-and-run events, and confirm the much more severe consequences for the smaller body also for stripping of volatile layers. Transfer of water between projectile and target inventories is found to be mostly rather inefficient, and final water contents are dominated by pre-collision inventories reduced by impact losses, for similar pre-collision water mass fractions. Comparison with our numerical results shows that current collision outcome models are not accurate enough to reliably predict these composition changes in hit-and-run events. To also account for non-mechanical losses, we estimate the amount of collisionally vaporized water over a broad range of masses and find that these contributions are particularly important in collisions of ˜ Mars-sized bodies, with sufficiently high impact energies, but still relatively low gravity. Our results clearly indicate that the cumulative effect of several (hit-and-run) collisions can efficiently strip protoplanets of their volatile layers, especially the smaller body, as it might be common, e.g., for Earth-mass planets in systems with Super-Earths. An accurate model for stripping of volatiles that can be included in future planet

Potential Energy Curves and Collisions Integrals of Air Components. 2; Interactions Involving Ionized Atoms

NASA Technical Reports Server (NTRS)

Stallcop, James R.; Partridge, Harry; Levin, Eugene; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Collision integrals are fundamental quantities required to determine the transport properties of the environment surrounding aerospace vehicles in the upper atmosphere. These collision integrals can be determined as a function of temperature from the potential energy curves describing the atomic and molecular collisions. Ab initio calculations provide a practical method of computing the required interaction potentials. In this work we will discuss recent advances in scattering calculations with an emphasis on the accuracy that is obtainable. Results for interactions of the atoms and ionized atoms of nitrogen and oxygen will be reviewed and their application to the determination of transport properties, such as diffusion and viscosity coefficients, will be examined.

Expanding the molecular-ruler process through vapor deposition of hexadecanethiol

PubMed Central

Patron, Alexandra M; Hooker, Timothy S; Santavicca, Daniel F

2017-01-01

The development of methods to produce nanoscale features with tailored chemical functionalities is fundamental for applications such as nanoelectronics and sensor fabrication. The molecular-ruler process shows great utility for this purpose as it combines top-down lithography for the creation of complex architectures over large areas in conjunction with molecular self-assembly, which enables precise control over the physical and chemical properties of small local features. The molecular-ruler process, which most commonly uses mercaptoalkanoic acids and metal ions to generate metal-ligated multilayers, can be employed to produce registered nanogaps between metal features. Expansion of this methodology to include molecules with other chemical functionalities could greatly expand the overall versatility, and thus the utility, of this process. Herein, we explore the use of alkanethiol molecules as the terminating layer of metal-ligated multilayers. During this study, it was discovered that the solution deposition of alkanethiol molecules resulted in low overall surface coverage with features that varied in height. Because features with varied heights are not conducive to the production of uniform nanogaps via the molecular-ruler process, the vapor-phase deposition of alkanethiol molecules was explored. Unlike the solution-phase deposition, alkanethiol islands produced by vapor-phase deposition exhibited markedly higher surface coverages of uniform heights. To illustrate the applicability of this method, metal-ligated multilayers, both with and without an alkanethiol capping layer, were utilized to create nanogaps between Au features using the molecular-ruler process. PMID:29181290

Charge Exchange in Slow Collisions of O+ with He

NASA Astrophysics Data System (ADS)

Zhao, L. B.; Joseph, D. C.; Saha, B. C.; Lebermann, H. P.; Funke, P.; Buenker, R. J.

2009-03-01

A comparative study is reported for the charge transfer in collisions of O^+ with He using the fully quantal and semiclassical molecular-orbital close-coupling (MOCC) approaches in the adiabatic representation. The electron capture processes O^+(^4S^o, ^2D^o, ^2P^o) + He -> O(^3P) + He^+ are recalculated. The semiclassical MOCC approach was examined by a detailed comparision of cross sections and transition probabilities from both the fully quantal and semiclassical MOCC approaches. The discrepancies reported previously between the semiclassical and the quantal MOCC cross sections may be attributed due to the insufficient step-size resolution of the semiclassical calculations. Our results are also compared with the experimental cross sections and found good agreements. This work is supported by NSF, CREST program (Grant#0630370).

Charge Transfer in Collisions of S^4+ with He.

NASA Astrophysics Data System (ADS)

Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic helium were investigated for energies between 0.1 meV/u and 10 MeV/u. Total and state-selective cross sections and rate coefficients were obtained utilizing the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were also explored. Previous data are limited to an earlier Landau-Zener calculation of the total rate coefficient for which our results are two orders of magnitude larger. An observed multichannel interference effect in the MOCC results will also be discussed.

Electron correlations and pre-collision in the re-collision picture of high harmonic generation

NASA Astrophysics Data System (ADS)

Mašín, Zdeněk; Harvey, Alex G.; Spanner, Michael; Patchkovskii, Serguei; Ivanov, Misha; Smirnova, Olga

2018-07-01

We discuss the seminal three-step model and the re-collision picture in the context of high harmonic generation in molecules. In particular, we stress the importance of multi-electron correlation during the first and the third of the three steps of the process: (1) the strong-field ionization and (3) the recombination. We point out how an accurate account of multi-electron correlations during the third recombination step allows one to gauge the importance of pre-collision: the term coined by Eberly (n.d. private communication) to describe unusual pathways during the first, ionization, step.

Measurements of hadron mean free path for the particle-producing collisions in nuclear matter

NASA Technical Reports Server (NTRS)

Strugalski, Z.

1985-01-01

It is not obvious a priority that the cross-section for a process in hadron collisions with free nucleons is the same as that for the process in hadron collisions with nucleons inside a target nucleus. The question arises: what is the cross-section for a process in a hadron collision with nucleon on inside the atomic nucleus. The answer to it must be found in experiments. The mean free path for particle-producing collisions of pions in nuclear matter is determined experimentally using pion-xenon nucleus collisions at 3.5 GeV/c momentum. Relation between the mean free path in question lambda sub in nucleons fm squared and the cross-section in units of fm squared/nucleon for collisions of the hadron with free nucleon is: lambda sub i = k/cross section sub i, where k = 3.00 plus or minus 0.26.

PHOTOCHEMICAL HEATING OF DENSE MOLECULAR GAS

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

Glassgold, A. E.; Najita, J. R.

2015-09-10

Photochemical heating is analyzed with an emphasis on the heating generated by chemical reactions initiated by the products of photodissociation and photoionization. The immediate products are slowed down by collisions with the ambient gas and then heat the gas. In addition to this direct process, heating is also produced by the subsequent chemical reactions initiated by these products. Some of this chemical heating comes from the kinetic energy of the reaction products and the rest from collisional de-excitation of the product atoms and molecules. In considering dense gas dominated by molecular hydrogen, we find that the chemical heating is sometimesmore » as large, if not much larger than, the direct heating. In very dense gas, the total photochemical heating approaches 10 eV per photodissociation (or photoionization), competitive with other ways of heating molecular gas.« less

Triggered O Star Formation in M20 via Cloud-Cloud Collision: Comparisons between High-resolution CO Observations and Simulations

NASA Astrophysics Data System (ADS)

Torii, K.; Hattori, Y.; Hasegawa, K.; Ohama, A.; Haworth, T. J.; Shima, K.; Habe, A.; Tachihara, K.; Mizuno, N.; Onishi, T.; Mizuno, A.; Fukui, Y.

2017-02-01

Understanding high-mass star formation is one of the top-priority issues in astrophysics. Recent observational studies have revealed that cloud-cloud collisions may play a role in high-mass star formation in several places in the Milky Way and the Large Magellanic Cloud. The Trifid Nebula M20 is a well-known Galactic H II region ionized by a single O7.5 star. In 2011, based on the CO observations with NANTEN2, we reported that the O star was formed by the collision between two molecular clouds ˜0.3 Myr ago. Those observations identified two molecular clouds toward M20, traveling at a relative velocity of 7.5 {km} {{{s}}}-1. This velocity separation implies that the clouds cannot be gravitationally bound to M20, but since the clouds show signs of heating by the stars there they must be spatially coincident with it. A collision is therefore highly possible. In this paper we present the new CO J = 1-0 and J = 3-2 observations of the colliding clouds in M20 performed with the Mopra and ASTE telescopes. The high-resolution observations revealed that the two molecular clouds have peculiar spatial and velocity structures, I.e., a spatially complementary distribution between the two clouds and a bridge feature that connects the two clouds in velocity space. Based on a new comparison with numerical models, we find that this complementary distribution is an expected outcome of cloud-cloud collisions, and that the bridge feature can be interpreted as the turbulent gas excited at the interface of the collision. Our results reinforce the cloud-cloud collision scenario in M20.

Relativistic Collisions of Highly-Charged Ions

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

Ionescu, Dorin; Belkacem, Ali

1998-11-19

The physics of elementary atomic processes in relativistic collisions between highly-charged ions and atoms or other ions is briefly discussed, and some recent theoretical and experimental results in this field are summarized. They include excitation, capture, ionization, and electron-positron pair creation. The numerical solution of the two-center Dirac equation in momentum space is shown to be a powerful nonperturbative method for describing atomic processes in relativistic collisions involving heavy and highly-charged ions. By propagating negative-energy wave packets in time the evolution of the QED vacuum around heavy ions in relativistic motion is investigated. Recent results obtained from numerical calculations usingmore » massively parallel processing on the Cray-T3E supercomputer of the National Energy Research Scientific Computer Center (NERSC) at Berkeley National Laboratory are presented.« less

Charge exchange cross sections in slow collisions of Si3+ with Hydrogen atom

NASA Astrophysics Data System (ADS)

Joseph, Dwayne; Quashie, Edwin; Saha, Bidhan

2011-05-01

In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. Work supported by NSF CREST project (grant #0630370).

Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology

NASA Astrophysics Data System (ADS)

Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.; Volkov, Sergey N.; Solov'yov, Andrey V.

2016-01-01

The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies. The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied for studying processes where rupture of chemical bonds plays an essential role, e.g., in irradiation- or collision-induced damage, and also in transformation and fragmentation processes involving biomolecular systems. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey V. Solov'yov, Nigel Mason, Gustavo Garcia and Eugene Surdutovich.

Formation of massive, dense cores by cloud-cloud collisions

NASA Astrophysics Data System (ADS)

Takahira, Ken; Shima, Kazuhiro; Habe, Asao; Tasker, Elizabeth J.

2018-03-01

We performed sub-parsec (˜ 0.014 pc) scale simulations of cloud-cloud collisions of two idealized turbulent molecular clouds (MCs) with different masses in the range of (0.76-2.67) × 104 M_{⊙} and with collision speeds of 5-30 km s-1. Those parameters are larger than in Takahira, Tasker, and Habe (2014, ApJ, 792, 63), in which study the colliding system showed a partial gaseous arc morphology that supports the NANTEN observations of objects indicated to be colliding MCs using numerical simulations. Gas clumps with density greater than 10-20 g cm-3 were identified as pre-stellar cores and tracked through the simulation to investigate the effects of the mass of colliding clouds and the collision speeds on the resulting core population. Our results demonstrate that the smaller cloud property is more important for the results of cloud-cloud collisions. The mass function of formed cores can be approximated by a power-law relation with an index γ = -1.6 in slower cloud-cloud collisions (v ˜ 5 km s-1), and is in good agreement with observation of MCs. A faster relative speed increases the number of cores formed in the early stage of collisions and shortens the gas accretion phase of cores in the shocked region, leading to the suppression of core growth. The bending point appears in the high-mass part of the core mass function and the bending point mass decreases with increase in collision speed for the same combination of colliding clouds. The higher-mass part of the core mass function than the bending point mass can be approximated by a power law with γ = -2-3 that is similar to the power index of the massive part of the observed stellar initial mass function. We discuss implications of our results for the massive-star formation in our Galaxy.

Formation of massive, dense cores by cloud-cloud collisions

NASA Astrophysics Data System (ADS)

Takahira, Ken; Shima, Kazuhiro; Habe, Asao; Tasker, Elizabeth J.

2018-05-01

We performed sub-parsec (˜ 0.014 pc) scale simulations of cloud-cloud collisions of two idealized turbulent molecular clouds (MCs) with different masses in the range of (0.76-2.67) × 104 M_{⊙} and with collision speeds of 5-30 km s-1. Those parameters are larger than in Takahira, Tasker, and Habe (2014, ApJ, 792, 63), in which study the colliding system showed a partial gaseous arc morphology that supports the NANTEN observations of objects indicated to be colliding MCs using numerical simulations. Gas clumps with density greater than 10-20 g cm-3 were identified as pre-stellar cores and tracked through the simulation to investigate the effects of the mass of colliding clouds and the collision speeds on the resulting core population. Our results demonstrate that the smaller cloud property is more important for the results of cloud-cloud collisions. The mass function of formed cores can be approximated by a power-law relation with an index γ = -1.6 in slower cloud-cloud collisions (v ˜ 5 km s-1), and is in good agreement with observation of MCs. A faster relative speed increases the number of cores formed in the early stage of collisions and shortens the gas accretion phase of cores in the shocked region, leading to the suppression of core growth. The bending point appears in the high-mass part of the core mass function and the bending point mass decreases with increase in collision speed for the same combination of colliding clouds. The higher-mass part of the core mass function than the bending point mass can be approximated by a power law with γ = -2-3 that is similar to the power index of the massive part of the observed stellar initial mass function. We discuss implications of our results for the massive-star formation in our Galaxy.

Collision group and renormalization of the Boltzmann collision integral.

PubMed

Saveliev, V L; Nanbu, K

2002-05-01

On the basis of a recently discovered collision group [V. L. Saveliev, in Rarefied Gas Dynamics: 22nd International Symposium, edited by T. J. Bartel and M. Gallis, AIP Conf. Proc. No. 585 (AIP, Melville, NY, 2001), p. 101], the Boltzmann collision integral is exactly rewritten in two parts. The first part describes the scattering of particles with small angles. In this part the infinity due to the infinite cross sections is extracted from the Boltzmann collision integral. Moreover, the Boltzmann collision integral is represented as a divergence of the flow in velocity space. Owing to this, the role of collisions in the kinetic equation can be interpreted in terms of the nonlocal friction force that depends on the distribution function.

Collision group and renormalization of the Boltzmann collision integral

NASA Astrophysics Data System (ADS)

Saveliev, V. L.; Nanbu, K.

2002-05-01

On the basis of a recently discovered collision group [V. L. Saveliev, in Rarefied Gas Dynamics: 22nd International Symposium, edited by T. J. Bartel and M. Gallis, AIP Conf. Proc. No. 585 (AIP, Melville, NY, 2001), p. 101], the Boltzmann collision integral is exactly rewritten in two parts. The first part describes the scattering of particles with small angles. In this part the infinity due to the infinite cross sections is extracted from the Boltzmann collision integral. Moreover, the Boltzmann collision integral is represented as a divergence of the flow in velocity space. Owing to this, the role of collisions in the kinetic equation can be interpreted in terms of the nonlocal friction force that depends on the distribution function.

Surface-induced dissociation of methanol cations: A non-ergodic process

DOE PAGES

Shukla, Anil K.

2017-09-01

Here, dissociation of methanol molecular cations, CH 3OH +, to CH 2OH + on collision with a self-assembled monolayer surface of fluorinated alkyl thiol on gold 111 crystal has been studied at 12.5 eV collision energy. Two energetically and spatially distinct processes contribute to the dissociation process: one involving loss of very large amount of energy approaching the initial kinetic energy of the primary ions with scattering of fragment ions over a broad angular range between surface normal and surface parallel while the second process results from small amount of energy loss with fragment ions scattered over a narrow angularmore » range close to the surface parallel. There is a third process with relatively small contribution to total dissociation whose characteristics are very similar to the low energy loss process. Finally, these results demonstrate that surface-induced dissociation of methanol cations via hydrogen loss is non-ergodic.« less

Surface-induced dissociation of methanol cations: A non-ergodic process

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

Shukla, Anil K.

Here, dissociation of methanol molecular cations, CH 3OH +, to CH 2OH + on collision with a self-assembled monolayer surface of fluorinated alkyl thiol on gold 111 crystal has been studied at 12.5 eV collision energy. Two energetically and spatially distinct processes contribute to the dissociation process: one involving loss of very large amount of energy approaching the initial kinetic energy of the primary ions with scattering of fragment ions over a broad angular range between surface normal and surface parallel while the second process results from small amount of energy loss with fragment ions scattered over a narrow angularmore » range close to the surface parallel. There is a third process with relatively small contribution to total dissociation whose characteristics are very similar to the low energy loss process. Finally, these results demonstrate that surface-induced dissociation of methanol cations via hydrogen loss is non-ergodic.« less

Cross sections for electron collisions with nitric oxide

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

Itikawa, Yukikazu, E-mail: yukitikawa@nifty.com

Cross section data are reviewed for electron collisions with nitric oxide. Collision processes considered are total scattering, elastic scattering, momentum transfer, excitations of rotational, vibrational, and electronic states, ionization, and dissociative electron attachment. After a survey of the literature (up to the end of 2015), recommended values of the cross section are determined, as far as possible.

Observation of correlated excitations in bimolecular collisions

NASA Astrophysics Data System (ADS)

Gao, Zhi; Karman, Tijs; Vogels, Sjoerd N.; Besemer, Matthieu; van der Avoird, Ad; Groenenboom, Gerrit C.; van de Meerakker, Sebastiaan Y. T.

2018-02-01

Although collisions between atoms and molecules are largely understood, collisions between two molecules have proven much harder to study. In both experiment and theory, our ability to determine quantum-state-resolved bimolecular cross-sections lags behind their atom-molecule counterparts by decades. For many bimolecular systems, even rules of thumb—much less intuitive understanding—of scattering cross sections are lacking. Here, we report the measurement of state-to-state differential cross sections on the collision of state-selected and velocity-controlled nitric oxide (NO) radicals and oxygen (O2) molecules. Using velocity map imaging of the scattered NO radicals, the full product-pair correlations of rotational excitation that occurs in both collision partners from individual encounters are revealed. The correlated cross sections show surprisingly good agreement with quantum scattering calculations using ab initio NO-O2 potential energy surfaces. The observations show that the well-known energy-gap law that governs atom-molecule collisions does not generally apply to bimolecular excitation processes, and reveal a propensity rule for the vector correlation of product angular momenta.

Bridging the condensation-collision size gap: a direct numerical simulation of continuous droplet growth in turbulent clouds

NASA Astrophysics Data System (ADS)

Chen, Sisi; Yau, Man-Kong; Bartello, Peter; Xue, Lulin

2018-05-01

In most previous direct numerical simulation (DNS) studies on droplet growth in turbulence, condensational growth and collisional growth were treated separately. Studies in recent decades have postulated that small-scale turbulence may accelerate droplet collisions when droplets are still small when condensational growth is effective. This implies that both processes should be considered simultaneously to unveil the full history of droplet growth and rain formation. This paper introduces the first direct numerical simulation approach to explicitly study the continuous droplet growth by condensation and collisions inside an adiabatic ascending cloud parcel. Results from the condensation-only, collision-only, and condensation-collision experiments are compared to examine the contribution to the broadening of droplet size distribution (DSD) by the individual process and by the combined processes. Simulations of different turbulent intensities are conducted to investigate the impact of turbulence on each process and on the condensation-induced collisions. The results show that the condensational process promotes the collisions in a turbulent environment and reduces the collisions when in still air, indicating a positive impact of condensation on turbulent collisions. This work suggests the necessity of including both processes simultaneously when studying droplet-turbulence interaction to quantify the turbulence effect on the evolution of cloud droplet spectrum and rain formation.

Molecular sieving silica membrane fabrication process

DOEpatents

Raman, Narayan K.; Brinker, Charles Jeffrey

1998-01-01

A process for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film.

Molecular sieving silica membrane fabrication process

DOEpatents

Raman, Narayan K.; Brinker, Charles Jeffrey

1999-01-01

A process for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film.

Molecular-beam Studies of Primary Photochemical Processes

DOE R&D Accomplishments Database

Lee, Y. T.

1982-12-01

Application of the method of molecular-beam photofragmentation translational spectroscopy to the investigation of primary photochemical processes of polyatomic molecules is described. Examples will be given to illustrate how information concerning the energetics, dynamics, and mechanism of dissociation processes can be obtained from the precise measurements of angular and velocity distributions of products in an experiment in which a well-defined beam of molecules is crossed with a laser.

Bose condensation of nuclei in heavy ion collisions

NASA Technical Reports Server (NTRS)

Tripathi, Ram K.; Townsend, Lawrence W.

1994-01-01

Using a fully self-consistent quantum statistical model, we demonstrate the possibility of Bose condensation of nuclei in heavy ion collisions. The most favorable conditions of high densities and low temperatures are usually associated with astrophysical processes and may be difficult to achieve in heavy ion collisions. Nonetheless, some suggestions for the possible experimental verification of the existence of this phenomenon are made.

Water nucleation in helium, methane, and argon: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Dumitrescu, Lucia R.; Huinink, Henk; Smeulders, David M. J.; Dam, Jacques A. M.; Gaastra-Nedea, Silvia V.

2018-05-01

Nucleation of highly supersaturated water vapor in helium, methane, and argon carrier gases at 350 K was investigated using molecular dynamics simulations. Nucleation rates obtained from the mean first passage time (MFPT) method are typically one order of magnitude lower than those from the Yasuoka and Matsumoto method, which can be attributed to the overestimation of the critical cluster size in the MFPT method. It was found that faster nucleation will occur in carrier gases that have better thermalization properties such that latent heat is removed more efficiently. These thermalization properties are shown to be strongly dependent on the molecular mass and Lennard-Jones (LJ) parameters. By varying the molecular mass, for unaltered LJ parameters, it was found that a heavier carrier gas removes less heat although it has a higher collision rate with water than a lighter carrier. Thus, it was shown that a clear distinction between water vapor-carrier gas collisions and water cluster-carrier gas collisions is indispensable for understanding the effect of collision rates on thermalization. It was also found that higher concentration of carrier gas leads to higher nucleation rate. The nucleation rates increased by a factor of 1.3 for a doubled concentration and by almost a factor of two for a tripled concentration.

Charge transfer and ionization in collisions of Si3+ with H from low to high energy

NASA Astrophysics Data System (ADS)

Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

2006-11-01

Charge transfer processes due to collisions of ground state Si3+(3sS1) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01eV/u to 1MeV/u . Total and state-selective rate coefficients are also presented for temperatures from 2×103K to 107K . Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies.

Magnitude of long-term non-lithostatic pressure variations in lithospheric processes: insight from thermo-mechanical subduction/collision models

NASA Astrophysics Data System (ADS)

Gerya, Taras

2014-05-01

On the one hand, the principle of lithostatic pressure is habitually used in metamorphic geology to calculate paleo-depths of metamorphism from mineralogical pressure estimates given by geobarometry. On the other hand, it is obvious that this lithostatic (hydrostatic) pressure principle should only be valid for an ideal case of negligible deviatoric stresses during the long-term development of the entire tectono-metamorphic system - the situation, which newer comes to existence in natural lithospheric processes. The question is therefore not "Do non-lithostatic pressure variations exist?" but " What is the magnitude of long-term non-lithostatic pressure variations in various lithospheric processes, which can be recorded by mineral equilibria of respective metamorphic rocks?". The later question is, in particular, relevant for various types of high-pressure (HP) and ultrahigh-pressure (UHP) rocks, which are often produced in convergent plate boundary settings (e.g., Hacker and Gerya, 2013). This question, can, in particular, be answered with the use of thermo-mechanical models of subduction/collision processes employing realistic P-T-stress-dependent visco-elasto-brittle/plastic rheology of rocks. These models suggest that magnitudes of pressure deviations from lithostatic values can range >50% underpressure to >100% overpressure, mainly in the regions of bending of rheologically strong mantle lithosphere (Burg and Gerya, 2005; Li et al., 2010). In particular, strong undepresures along normal faults forming within outer rise regions of subducting plates can be responsible for downward water suction and deep hydration of oceanic slabs (Faccenda et al., 2009). Weaker HP and UHP rocks of subduction/collision channels are typically subjected to lesser non-lithostatic pressure variations with characteristic magnitudes ranging within 10-20% from the lithostatic values (Burg and Gerya, 2005; Li et al., 2010). The strength of subducted crustal rocks and the degree of

Collisions of O+ with He at low energies

NASA Astrophysics Data System (ADS)

Joseph, Dwayne C.; Saha, B. C.; Zhao, L. B.

2009-05-01

We have investigated the following charge transfer processO^+( ^4S^0, ^2D^0, ^2P^0)+He->O( ^3P)+He^+-δE using the full quantum [1] and semi-classical molecular [2]orbital close-coupling (MOCC) approximations. The quantum MOCC equations are solved numerically in the adiabatic representation [3]. Using MRD-CI package [4] the ab initio configuration interaction calculation is carried out for potential energies. Details of our findings will be reported in the conference. [1] B. H. Bransden and M. R. C. McDowell, ``Charge Exchange and the Theory of Ion-Atom Collisions'', Clarendon Press, Oxford, 1992. [2] M. Kimura and N. F. Lane, At. Mol. Opt. Phys 26, 79 (1990). [3] J. P. Braga and J. C. Belchoir, J. Comput. Chem 17, 1559 (1996). [4] R. J. Buenker, ``Current Aspects of Quantum Chemistry 1981, Vol 21, edited by R. Carbo (Elsevier, Amsterdam), p 17.

The role of orbital dynamics and cloud-cloud collisions in the formation of giant molecular clouds in global spiral structures

NASA Technical Reports Server (NTRS)

Roberts, William W., Jr.; Stewart, Glen R.

1987-01-01

The role of orbit crowding and cloud-cloud collisions in the formation of GMCs and their organization in global spiral structure is investigated. Both N-body simulations of the cloud system and a detailed analysis of individual particle orbits are used to develop a conceptual understanding of how individual clouds participate in the collective density response. Detailed comparisons are made between a representative cloud-particle simulation in which the cloud particles collide inelastically with one another and give birth to and subsequently interact with young star associations and stripped down simulations in which the cloud particles are allowed to follow ballistic orbits in the absence of cloud-cloud collisions or any star formation processes. Orbit crowding is then related to the behavior of individual particle trajectories in the galactic potential field. The conceptual picture of how GMCs are formed in the clumpy ISMs of spiral galaxies is formulated, and the results are compared in detail with those published by other authors.

Molecular sieving silica membrane fabrication process

DOEpatents

Raman, N.K.; Brinker, C.J.

1999-08-10

A process is described for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film. 11 figs.

Laser wavelength effect on charge transfer and excitation processes in laser-assisted collisions of Li+ + H

NASA Astrophysics Data System (ADS)

Domínguez-Gutiérrez, F. Javier; Cabrera-Trujillo, R.

2014-05-01

Total, n = 2 , and 3 charge transfer and n = 2 target excitation probabilities for collision of Li+ with ground state atomic hydrogen are calculated numerically, in the impact energy collision range 0.25-5 keV. The total wave function at the end of the dynamics of the collision is obtained by solving the time-dependent Schrödinger equation by means the finite-difference method. We use a pseudo-potential method to model the electronic structure of the Li+ ion. The n = 2 , and 3 charge transfer and n = 2 target excitation probabilities are obtained by projecting the stationary states of Lithium and Hydrogen neutral atoms to the total wave function of the collision, respectively; the stationary states of Li and H are obtained numerically. To assess the validity of our method, our numerical results have been compared with those obtained experimentally and by other theoretical methods found in the literature. We study the laser-assited collision by using a short (3 fs at FWHM) and intense (3.15 ×12 W/cm2) Gaussian laser pulse. We consider a wavelength range between 400 - 1000 nm in steps of 100 nm. Finally, we analyze the laser assisted collision by a qualitatively way with a two level approach. We acknowledge support from grant PAPIIT IN 110-714 and CONACyT (Ph.D. scholarship).

An investigation of collisions between fiber positioning units in LAMOST

NASA Astrophysics Data System (ADS)

Liu, Xiao-Jie; Wang, Gang

2016-04-01

The arrangement of fiber positioning units in the LAMOST focal plane may lead to collisions during the fiber allocation process. To avoid these collisions, a software-based protection system has to abandon some targets located in the overlapping field of adjacent fiber units. In this paper, we first analyze the probability of collisions between fibers and infer their possible reasons. It is useful to solve the problem of collisions among fiber positioning units so as to improve the efficiency of LAMOST. Based on this, a collision handling system is designed by using a master-slave control structure between the micro control unit and microcomputer. Simulated experiments validate that the system can provide real-time inspection and swap information between the fiber unit controllers and the main controller.

Total Probability of Collision as a Metric for Finite Conjunction Assessment and Collision Risk Management

NASA Astrophysics Data System (ADS)

Frigm, R.; Johnson, L.

The Probability of Collision (Pc) has become a universal metric and statement of on-orbit collision risk. Although several flavors of the computation exist and are well-documented in the literature, the basic calculation requires the same input: estimates for the position, position uncertainty, and sizes of the two objects involved. The Pc is used operationally to make decisions on whether a given conjunction poses significant collision risk to the primary object (or space asset of concern). It is also used to determine necessity and degree of mitigative action (typically in the form of an orbital maneuver) to be performed. The predicted post-maneuver Pc also informs the maneuver planning process into regarding the timing, direction, and magnitude of the maneuver needed to mitigate the collision risk. Although the data sources, techniques, decision calculus, and workflows vary for different agencies and organizations, they all have a common thread. The standard conjunction assessment and collision risk concept of operations (CONOPS) predicts conjunctions, assesses the collision risk (typically, via the Pc), and plans and executes avoidance activities for conjunctions as a discrete events. As the space debris environment continues to increase and improvements are made to remote sensing capabilities and sensitivities to detect, track, and predict smaller debris objects, the number of conjunctions will in turn continue to increase. The expected order-of-magnitude increase in the number of predicted conjunctions will challenge the paradigm of treating each conjunction as a discrete event. The challenge will not be limited to workload issues, such as manpower and computing performance, but also the ability for satellite owner/operators to successfully execute their mission while also managing on-orbit collision risk. Executing a propulsive maneuver occasionally can easily be absorbed into the mission planning and operations tempo; whereas, continuously planning evasive

Charge Transfer in Collisions of S^4+ with H.

NASA Astrophysics Data System (ADS)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic hydrogen were investigated for energies between 1 meV/u and 10 MeV/u using the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially-stripped S^3+ excited classical states. Hydrogen target isotope effects were explored and rate coefficients for temperatures between 100 and 10^6 K will be presented

Ab initio study of H + + H 2 collisions: Elastic/inelastic and charge transfer processes

NASA Astrophysics Data System (ADS)

Saieswari, A.; Kumar, Sanjay

2007-12-01

An ab initio full configuration interaction study has been undertaken to obtain the global potential energy surfaces for the ground and the first excited electronic state of the H + + H 2 system employing Dunning's cc-pVQZ basis set. Using the ab initio approach the corresponding quasi-diabatic potential energy surfaces and coupling potentials have been obtained. A time-independent quantum mechanical study has been also undertaken for both the inelastic and charge transfer processes at the experimental collision energy Ec.m. = 20.0 eV and the preliminary results show better agreement with the experimental data as compared to the earlier available theoretical studies.

Ion-neutral chemistry at ultralow energies:Dynamics of reactive collisions between laser-cooled Ca+ or Ba+ ions and Rb atoms in an ion-atom hybrid trap

NASA Astrophysics Data System (ADS)

Dulieu, O.; Hall, F. H. J.; Eberle, P.; Hegi, G.; Raoult, M.; Aymar, M.; Willitsch, S.

2013-05-01

Cold chemical reactions between laser-cooled Ca+ or Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the collision energy range Ecoll /kB = 20 mK-20 K. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes including the radiative formation of CaRb+ and BaRb+ molecular ions has been analyzed using accurate potential energy curves and quantum-scattering calculations for the radiative channels. It is shown that the energy dependence of the reaction rates is governed by long-range interactions, while its magnitude is determined by short-range non-adiabatic and radiative couplings. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral collisions. This work was supported by the Swiss National Science Foundation and the COST Action ''Ion Traps for Tomorrow's Applications''.

Radio Frequency Electromagnetic Radiation From Streamer Collisions

NASA Astrophysics Data System (ADS)

Luque, Alejandro

2017-10-01

We present a full electromagnetic model of streamer propagation where the Maxwell equations are solved self-consistently together with electron transport and reactions including photoionization. We apply this model to the collision of counter-propagating streamers in gaps tens of centimeters wide and with large potential differences of hundreds of kilovolts. Our results show that streamer collisions emit electromagnetic pulses that, at atmospheric pressure, dominate the radio frequency spectrum of an extended corona in the range from about 100 MHz to a few gigahertz. We also investigate the fast penetration, after a collision, of electromagnetic fields into the streamer heads and show that these fields are capable of accelerating electrons up to about 100 keV. By substantiating the link between X-rays and high-frequency radio emissions and by describing a mechanism for the early acceleration of runaway electrons, our results support the hypothesis that streamer collisions are essential precursors of high-energy processes in electric discharges.

Radio Frequency Electromagnetic Radiation From Streamer Collisions.

PubMed

Luque, Alejandro

2017-10-16

We present a full electromagnetic model of streamer propagation where the Maxwell equations are solved self-consistently together with electron transport and reactions including photoionization. We apply this model to the collision of counter-propagating streamers in gaps tens of centimeters wide and with large potential differences of hundreds of kilovolts. Our results show that streamer collisions emit electromagnetic pulses that, at atmospheric pressure, dominate the radio frequency spectrum of an extended corona in the range from about 100 MHz to a few gigahertz. We also investigate the fast penetration, after a collision, of electromagnetic fields into the streamer heads and show that these fields are capable of accelerating electrons up to about 100 keV. By substantiating the link between X-rays and high-frequency radio emissions and by describing a mechanism for the early acceleration of runaway electrons, our results support the hypothesis that streamer collisions are essential precursors of high-energy processes in electric discharges.

Restricted Collision List method for faster Direct Simulation Monte-Carlo (DSMC) collisions

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

Macrossan, Michael N., E-mail: m.macrossan@uq.edu.au

The ‘Restricted Collision List’ (RCL) method for speeding up the calculation of DSMC Variable Soft Sphere collisions, with Borgnakke–Larsen (BL) energy exchange, is presented. The method cuts down considerably on the number of random collision parameters which must be calculated (deflection and azimuthal angles, and the BL energy exchange factors). A relatively short list of these parameters is generated and the parameters required in any cell are selected from this list. The list is regenerated at intervals approximately equal to the smallest mean collision time in the flow, and the chance of any particle re-using the same collision parameters inmore » two successive collisions is negligible. The results using this method are indistinguishable from those obtained with standard DSMC. The CPU time saving depends on how much of a DSMC calculation is devoted to collisions and how much is devoted to other tasks, such as moving particles and calculating particle interactions with flow boundaries. For 1-dimensional calculations of flow in a tube, the new method saves 20% of the CPU time per collision for VSS scattering with no energy exchange. With RCL applied to rotational energy exchange, the CPU saving can be greater; for small values of the rotational collision number, for which most collisions involve some rotational energy exchange, the CPU may be reduced by 50% or more.« less

Collisions of ultracold 23Na87Rb molecules with controlled chemical reactivity

NASA Astrophysics Data System (ADS)

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

2017-04-01

The recent successful creation of several ultracold absolute ground-state polar molecules without chemical reaction channel has opened a new playground for investigating the so far poorly understood collisions between them. On one hand, these collisions are indispensable for the exploration of dipolar physics, on the other hand, they are direct manifestations of the brand-new field of ultracold chemistry. Here, we report on the study on molecular collisions with ultracold ground-state 23Na87Rb molecules prepared by transferring weakly bound Feshbach molecules with STIRAP. By tuning the Raman laser wavelength to control the internal states, samples with distinctly different chemical reactivity and inelastic channels can be prepared. Surprisingly, we found that the trap loss of the non-reactive case is nearly identical to that of the reactive case. We also developed a model based on the collision complex formation mechanism. The comparison between experiment and theory will also be presented. This work was supported by the French ANR/Hong Kong RGC COPOMOL project (Grant No. A-CUHK403/13), the RGC General Research Fund (Grant No. CUHK14301815).

Progress in Computational Electron-Molecule Collisions

NASA Astrophysics Data System (ADS)

Rescigno, Tn

1997-10-01

The past few years have witnessed tremendous progress in the development of sophisticated ab initio methods for treating collisions of slow electrons with isolated small molecules. Researchers in this area have benefited greatly from advances in computer technology; indeed, the advent of parallel computers has made it possible to carry out calculations at a level of sophistication inconceivable a decade ago. But bigger and faster computers are only part of the picture. Even with today's computers, the practical need to study electron collisions with the kinds of complex molecules and fragments encountered in real-world plasma processing environments is taxing present methods beyond their current capabilities. Since extrapolation of existing methods to handle increasingly larger targets will ultimately fail as it would require computational resources beyond any imagined, continued progress must also be linked to new theoretical developments. Some of the techniques recently introduced to address these problems will be discussed and illustrated with examples of electron-molecule collision calculations we have carried out on some fairly complex target gases encountered in processing plasmas. Electron-molecule scattering continues to pose many formidable theoretical and computational challenges. I will touch on some of the outstanding open questions.

Fine-structure relaxation of O(3P) induced by collisions with He, H and H2

NASA Astrophysics Data System (ADS)

Lique, F.; Kłos, J.; Alexander, M. H.; Le Picard, S. D.; Dagdigian, P. J.

2018-02-01

The excitation of fine-structure levels of O(3P) by collisions is an important cooling process in the interstellar medium (ISM). We investigate here spin-orbit (de-)excitation of O(3Pj, j = 0, 1, 2) induced by collisions with He, H and H2 based on quantum scattering calculations of the relevant rate coefficients in the 10-1000 K temperature range. The underlying potential energy surfaces are derived from highly correlated abinitio calculations. Significant differences were found with the rate coefficients currently used in astrophysical applications. In particular, our new rate coefficients for collisions with H are up to a factor of 5 lower. Radiative transfer computations allow the assessment of the astrophysical impact of these new rate coefficients. In the case of molecular clouds, the new data are found to increase slightly the flux of the 3P1 → 3P2, while decreasing the flux of the 3P0 → 3P1 line. In the case of atomic clouds, the flux of both lines is predicted to decrease. The new rate coefficients are expected to impact significantly the modelling of cooling in astrophysical environments while also allowing new insights into oxygen chemistry in the ISM.

Resource Paper: Molecular Excited State Relaxation Processes.

ERIC Educational Resources Information Center

Rhodes, William

1979-01-01

Develops the concept of oscillatory v dissipative limits as it applies to electronic excited state processes in molecular systems. Main emphasis is placed on the radiative and nonradiative dynamics of the excited state of a molecule prepared by interaction with light or some other excitation source. (BT)

Low-Energy Collisions of Protonated Enantiopure Amino Acids with Chiral Target Gases

NASA Astrophysics Data System (ADS)

Kulyk, K.; Rebrov, O.; Ryding, M.; Thomas, R. D.; Uggerud, E.; Larsson, M.

2017-12-01

Here we report on the gas-phase interactions between protonated enantiopure amino acids ( l- and d-enantiomers of Met, Phe, and Trp) and chiral target gases [( R)- and ( S)-2-butanol, and ( S)-1-phenylethanol] in 0.1-10.0 eV low-energy collisions. Two major processes are seen to occur over this collision energy regime, collision-induced dissociation and ion-molecule complex formation. Both processes were found to be independent of the stereo-chemical composition of the interacting ions and targets. These data shed light on the currently debated mechanisms of gas-phase chiral selectivity by demonstrating the inapplicability of the three-point model to these interactions, at least under single collision conditions. [Figure not available: see fulltext.

Collision-induced evaporation of water clusters and contribution of momentum transfer

NASA Astrophysics Data System (ADS)

Calvo, Florent; Berthias, Francis; Feketeová, Linda; Abdoul-Carime, Hassan; Farizon, Bernadette; Farizon, Michel

2017-05-01

The evaporation of water molecules from high-velocity argon atoms impinging on protonated water clusters has been computationally investigated using molecular dynamics simulations with the reactive OSS2 potential to model water clusters and the ZBL pair potential to represent their interaction with the projectile. Swarms of trajectories and an event-by-event analysis reveal the conditions under which a specific number of molecular evaporation events is found one nanosecond after impact, thereby excluding direct knockout events from the analysis. These simulations provide velocity distributions that exhibit two main features, with a major statistical component arising from a global redistribution of the collision energy into intermolecular degrees of freedom, and another minor but non-ergodic feature at high velocities. The latter feature is produced by direct impacts on the peripheral water molecules and reflects a more complete momentum transfer. These two components are consistent with recent experimental measurements and confirm that electronic processes are not explicitly needed to explain the observed non-ergodic behavior. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

NASA Astrophysics Data System (ADS)

Belkic, Dzevad

Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on

New Development on Modelling Fluctuations and Fragmentation in Heavy-Ion Collisions

NASA Astrophysics Data System (ADS)

Lin, Hao; Danielewicz, Pawel

2017-09-01

During heavy-ion collisions (HIC), colliding nuclei form an excited composite system. Instabilities present in the system may deform the shape of the system exotically, leading to a break-up into fragments. Many experimental efforts have been devoted to the nuclear multifragmentation phenomenon, while traditional HIC models, lacking in proper treatment of fluctuations, fall short in explaining it. In view of this, we are developing a new model to implement realistic fluctuations into transport simulation. The new model is motivated by the Brownian motion description of colliding particles. The effects of two-body collisions are recast in one-body diffusion processes. Vastly different dynamical paths are sampled by solving Langevin equations in momentum space. It is the stochastic sampling of dynamical paths that leads to a wide spread of exit channels. In addition, the nucleon degree of freedom is used to enhance the fluctuations. The model has been tested in reactions such as 112Sn + 112Sn and 58Ni + 58Ni, where reasonable results are yielded. An exploratory comparison on the 112Sn + 112Sn reaction at 50 MeV/nucleon with two other models, the stochastic mean-field (SMF) and the antisymmetrized molecular dynamics (AMD) models, has also been conducted. Work supported by the NSF Grant No. PHY-1403906.

Precollisional velocity correlations in a hard-disk fluid with dissipative collisions.

PubMed

Soto, R; Piasecki, J; Mareschal, M

2001-09-01

Velocity correlations are studied in granular fluids, modeled by the inelastic hard sphere gas. Making a density expansion of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy for the evolution of the reduced distributions, we predict the presence of precollisional velocity correlations. They are created by the propagation through correlated sequences of collisions (ring events) of the velocity correlations generated after dissipative collisions. The correlations have their origin in the dissipative character of collisions, being always present in granular fluids. The correlations, that manifest microscopically as an alignment of the velocities of a colliding pair produce modifications of collisional averages, in particular, the virial pressure. The pressure shows a reduction with respect to the elastic case as a consequence of the velocity alignment. Good qualitative agreement is obtained for the comparison of the numerical evaluations of the obtained analytical expressions and molecular dynamics results that showed evidence of precollisional velocity correlations [R. Soto and M. Mareschal, Phys. Rev. E 63, 041303 (2001)].

Vibrational and Electronic Energy Transfer and Dissociation of Diatomic Molecules by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

At high altitudes and velocities equal to or greater than the geosynchronous return velocity (10 kilometers per second), the shock layer of a hypersonic flight will be in thermochemical nonequilibrium and partially ionized. The amount of ionization is determined by the velocity. For a trans atmospheric flight of 10 kilometers per second and at an altitude of 80 kilometers, a maximum of 1% ionization is expected. At a velocity of 12 - 17 kilometer per second, such as a Mars return mission, up to 30% of the atoms and molecules in the flow field will be ionized. Under those circumstances, electrons play an important role in determining the internal states of atoms and molecules in the flow field and hence the amount of radiative heat load and the distance it takes for the flow field to re-establish equilibrium. Electron collisions provide an effective means of transferring energy even when the electron number density is as low as 1%. Because the mass of an electron is 12,760 times smaller than the reduced mass of N2, its average speed, and hence its average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron-molecule collisions is equal to or larger than that of molecule-molecule collisions, an important consideration in the low density part of the atmosphere. Three electron-molecule collision processes relevant to hypersonic flows will be considered: (1) vibrational excitation/de-excitation of a diatomic molecule by electron impact, (2) electronic excitation/de-excitation, and (3) dissociative recombination in electron-diatomic ion collisions. A review of available data, both theory and experiment, will be given. Particular attention will be paid to tailoring the molecular physics to the condition of hypersonic flows. For example, the high rotational temperatures in a hypersonic flow field means that most experimental data carried out under room temperatures are not applicable. Also

Dependence of elastic hadron collisions on impact parameter

NASA Astrophysics Data System (ADS)

Procházka, Jiří; Lokajíček, Miloš V.; Kundrát, Vojtěch

2016-05-01

Elastic proton-proton collisions represent probably the greatest ensemble of available measured data, the analysis of which may provide a large amount of new physical results concerning fundamental particles. It is, however, necessary to analyze first some conclusions concerning pp collisions and their interpretations differing fundamentally from our common macroscopic experience. It has been argued, e.g., that elastic hadron collisions have been more central than inelastic ones, even if any explanation of the existence of so different processes, i.e., elastic and inelastic (with hundreds of secondary particles) collisions, under the same conditions has not been given until now. The given conclusion has been based on a greater number of simplifying mathematical assumptions (already done in earlier calculations), without their influence on physical interpretation being analyzed and entitled; the corresponding influence has started to be studied in the approach based on the eikonal model. The possibility of a peripheral interpretation of elastic collisions will be demonstrated and the corresponding results summarized. The arguments will be given on why no preference may be given to the mentioned centrality against the standard peripheral behaviour. The corresponding discussion on the contemporary description of elastic hadronic collision in dependence on the impact parameter will be summarized and the justification of some important assumptions will be considered.

Development of an in-vehicle intersection collision countermeasure

NASA Astrophysics Data System (ADS)

Pierowicz, John A.

1997-02-01

Intersection collisions constitute approximately twenty-six percent of all accidents in the United States. Because of their complexity, and demands on the perceptual and decision making abilities of the driver, intersections present an increased risk of collisions between automobiles. This situation provides an opportunity to apply advanced sensor and processing capabilities to prevent these collisions. A program to determine the characteristics of intersection collisions and identify potential countermeasures will be described. This program, sponsored by the National Highway Traffic Safety Administration, utilized accident data to develop a taxonomy of intersection crashes. This taxonomy was used to develop a concept for an intersection collision avoidance countermeasure. The concept utilizes in-vehicle position, dynamic status, and millimeter wave radar system and an in-vehicle computer system to provide inputs to an intersection collision avoidance algorithm. Detection of potential violation of traffic control device, or proceeding into the intersection with inadequate gap will lead to the presentation of a warning to the driver. These warnings are presented to the driver primarily via a head-up display and haptic feedback. Roadside to vehicle communication provides information regarding phased traffic signal information. Active control of the vehicle's brake and steering systems are described. Progress in the development of the systems will be presented along with the schedule of future activities.

Are There Frame-Distortion Contributions to Collision-Induced Absorption and Collision-Induced Light Scattering?

NASA Astrophysics Data System (ADS)

Hohm, Uwe

2007-12-01

Collision-induced spectroscopy, such as collision-induced absorption (CIA) and collision-induced light scattering (CILS), can give valuable information on permanent electric moments, polarizabilities and intermolecular-interaction potentials. In general the collision-induced spectra of the pure rare-gases and their binary mixtures are understood fairly well. However if at least one of the collision partners is a molecule then in some cases the spectra show features which can hardly be explained by current theories which deal with the case of undistorted molecules. Here we discuss the possibility of collision-induced frame distortion as an additional effect to be considered in collision-induced spectroscopy.

Molecular spectroscopy and collisional excitation. [in astrophysics

NASA Technical Reports Server (NTRS)

Green, S.

1975-01-01

The paper examines the basic principles underlying the molecular transitions responsible for interstellar molecular spectra. The energy levels of molecules are discussed in detail with special attention given to the Born-Oppenheimer approximation, the electronic Hamiltonian, and the parameters of vibrational and rotational energy. The probabilities for radiative and collisional transitions are calculated. A brief review of techniques for molecular spectroscopy is presented along with methods used to determine collision cross sections on both an experimental and a theoretical basis.

New parameter-free polarization potentials in low-energy positron collisions

NASA Technical Reports Server (NTRS)

Jain, Ashok

1990-01-01

The polarization potential plays a decisive role in shaping up the cross sections in low energy positron collisions with atoms and molecules. However, its inclusion without involving any adjustable parameter, is still a challenge. Various other techniques employed so far for positron collisions are summarized, and a new, nonadjustable and very simple form of the polarization potential for positron-atom (molecule) collisions below the threshold of positronium formation is discussed. This new recently proposed potential is based on the correlation energy of a single positron in a homogeneous electron gas. The correlation energy was calculated by solving the Schrodinger equation of the positron-electron system and fitted to an analytical form in various ranges of the density parameter. In the outside region, the correlation energy is joined smoothly with the correct asymptotic form. This new positron correlation polarization (PCOP) potential was tested on several atomic and molecular targets such as the Ar, CO, and CH4. The results on the total and differential cross sections on these targets are shown along with the experimental data where available.

Comment on "Comment on 'Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator' [J. Chem. Phys. 104, 3732 (1996)]" [J. Chem. Phys. 106, 1646 (1997)].

PubMed

Kast, Stefan M

2004-03-08

An argument brought forward by Sholl and Fichthorn against the stochastic collision-based constant temperature algorithm for molecular dynamics simulations developed by Kast et al. is refuted. It is demonstrated that the large temperature fluctuations noted by Sholl and Fichthorn are due to improperly chosen initial conditions within their formulation of the algorithm. With the original form or by suitable initialization of their variant no deficient behavior is observed.

Analysis of In-Flight Collision Process During V-Type Firing Pattern in Surface Blasting Using Simple Physics

NASA Astrophysics Data System (ADS)

Chouhan, Lalit Singh; Raina, Avtar K.

2015-10-01

Blasting is a unit operation in Mine-Mill Fragmentation System (MMFS) and plays a vital role in mining cost. One of the goals of MMFS is to achieve optimum fragment size at minimal cost. Blast fragmentation optimization is known to result in better explosive energy utilization. Fragmentation depends on the rock, explosive and blast design variables. If burden, spacing and type of explosive used in a mine are kept constant, the firing sequence of blast-holes plays a vital role in rock fragmentation. To obtain smaller fragmentation size, mining professionals and relevant publications recommend V- or extended V-pattern of firing sequence. In doing so, it is assumed that the in-flight air collision breaks larger rock fragments into smaller ones, thus aiding further fragmentation. There is very little support to the phenomenon of breakage during in-flight collision of fragments during blasting in published literature. In order to assess the breakage of in-flight fragments due to collision, a mathematical simulation was carried over using basic principles of physics. The calculations revealed that the collision breakage is dependent on velocity of fragments, mass of fragments, the strength of the rock and the area of fragments over which collision takes place. For higher strength rocks, the in-flight collision breakage is very difficult to achieve. This leads to the conclusion that the concept demands an in-depth investigation and validation.

Paths to equilibrium in non-conformal collisions

NASA Astrophysics Data System (ADS)

Attems, Maximilian; Bea, Yago; Casalderrey-Solana, Jorge; Mateos, David; Santos-Oliván, Daniel; Sopuerta, Carlos F.; Triana, Miquel; Zilhão, Miguel

2018-03-01

Ever since fast hydrodynamization has been observed in heavy ion collisions the understanding of the hot early out-of-equilibrium stage of such collisions has been a topic of intense research. We use the gauge/gravity duality to model the creation of a strongly coupled Quark-Gluon plasma in a non-conformal gauge theory. This numerical relativity study is the first non-conformal holographic simulation of a heavy ion collision and reveals the existence of new relaxation channels due to the presence of non-vanishing bulk viscosity. We study shock wave collisions at different energies in gauge theories with different degrees of non-conformality and compare three relaxation times which can occur in different orderings: the hydrodynamization time (when hydrodynamics becomes applicable), the EoSization time (when the average pressure approaches its equilibrium value) and the condensate relaxation time (when the expectation value of a scalar operator approaches its equilibrium value). We find that these processes can occur in several different orderings. In particular, the condensate can remain far from equilibrium even long after the plasma has hydrodynamized and EoSized.

Probability of satellite collision

NASA Technical Reports Server (NTRS)

Mccarter, J. W.

1972-01-01

A method is presented for computing the probability of a collision between a particular artificial earth satellite and any one of the total population of earth satellites. The collision hazard incurred by the proposed modular Space Station is assessed using the technique presented. The results of a parametric study to determine what type of satellite orbits produce the greatest contribution to the total collision probability are presented. Collision probability for the Space Station is given as a function of Space Station altitude and inclination. Collision probability was also parameterized over miss distance and mission duration.

Electron capture in collisions of Si3+ ions with atomic hydrogen from low to intermediate energies

NASA Astrophysics Data System (ADS)

Liu, C. H.; Liu, L.; Wang, J. G.

2014-07-01

The electron capture process for the Si3+(3s) + H(1s) collisions is investigated by the quantum-mechanical molecular orbital close-coupling (MOCC) method and by the two-center atomic orbital close-coupling (AOCC) method in the energy range of 10-5-10 keV/u and 0.8-200 keV/u, respectively. Total and state-selective cross sections are presented and compared with the available theoretical and experimental results. The present MOCC and AOCC results agree well with the experimental measurements, but show some discrepancy with the calculations of Wang et al. [Phys. Rev. A 74, 052709 (2006), 10.1103/PhysRevA.74.052709] at E > 40 eV/u because of the inclusion of rotational couplings, which play important roles in the electron capture process. At lower energies, the present results are about three to five times smaller than those of Wang et al. due to the difference in the molecular data at large internuclear distances. The energy behaviors of the electron capture cross sections are discussed on the basis of identified reaction mechanisms.

Quantification of evaporation induced error in atom probe tomography using molecular dynamics simulation.

PubMed

Chen, Shu Jian; Yao, Xupei; Zheng, Changxi; Duan, Wen Hui

2017-11-01

Non-equilibrium molecular dynamics was used to simulate the dynamics of atoms at the atom probe surface and five objective functions were used to quantify errors. The results suggested that before ionization, thermal vibration and collision caused the atoms to displace up to 1Å and 25Å respectively. The average atom displacements were found to vary between 0.2 and 0.5Å. About 9 to 17% of the atoms were affected by collision. Due to the effects of collision and ion-ion repulsion, the back-calculated positions were on average 0.3-0.5Å different from the pre-ionized positions of the atoms when the number of ions generated per pulse was minimal. This difference could increase up to 8-10Å when 1.5ion/nm 2 were evaporated per pulse. On the basis of the results, surface ion density was considered an important factor that needed to be controlled to minimize error in the evaporation process. Copyright © 2017. Published by Elsevier B.V.

Fast computation of high energy elastic collision scattering angle for electric propulsion plume simulation

NASA Astrophysics Data System (ADS)

Araki, Samuel J.

2016-11-01

In the plumes of Hall thrusters and ion thrusters, high energy ions experience elastic collisions with slow neutral atoms. These collisions involve a process of momentum exchange, altering the initial velocity vectors of the collision pair. In addition to the momentum exchange process, ions and atoms can exchange electrons, resulting in slow charge-exchange ions and fast atoms. In these simulations, it is particularly important to accurately perform computations of ion-atom elastic collisions in determining the plume current profile and assessing the integration of spacecraft components. The existing models are currently capable of accurate calculation but are not fast enough such that the calculation can be a bottleneck of plume simulations. This study investigates methods to accelerate an ion-atom elastic collision calculation that includes both momentum- and charge-exchange processes. The scattering angles are pre-computed through a classical approach with ab initio spin-orbit free potential and are stored in a two-dimensional array as functions of impact parameter and energy. When performing a collision calculation for an ion-atom pair, the scattering angle is computed by a table lookup and multiple linear interpolations, given the relative energy and randomly determined impact parameter. In order to further accelerate the calculations, the number of collision calculations is reduced by properly defining two cut-off cross-sections for the elastic scattering. In the MCC method, the target atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play a significant role in typical electric propulsion plume simulations such that the sampling process is unnecessary. With these implementations, the computational run-time to perform a collision calculation is reduced significantly compared to previous methods, while retaining the accuracy of the high fidelity models.

Electron capture in collisions of Al2+ ions with He atoms at intermediate energies

NASA Astrophysics Data System (ADS)

Watanabe, A.; Sato, H.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.

2001-09-01

Electron capture resulting from collisions of Al2+ ions with He atoms from 0.15 to 1000 keV/u is investigated using a molecular-orbital representation within a semiclassical frame. Molecular electronic states and corresponding couplings are determined by the ALCHEMY program. Sixteen molecular states all connecting to single-electron-capture processes are included, and hence radial and rotational couplings among these channels are fully considered. The trajectory effect arising from the straight-line, Coulomb, and ground-state potential trajectories for electron-capture and excitation processes is carefully assessed. The electron-capture cross section by ground-state Al2+(2S) ions slowly increases before it reaches a maximum of 1.3×10-16 cm2 at 100 keV/u. Those for metastable Al2+(2P) ions sharply increase with increasing energy, and reach a peak at 1 keV/u with a value of 1.5×10-16 cm2. The earlier experimental data are found to be larger by an order of magnitude although their energy dependence is in good accord with the present result. Excitation cross sections for both the ground and metastable states are found to be much larger by a factor of 2-3 than corresponding capture cross sections above 1 keV/u although they become comparable below this energy.

Operational Collision Avoidance

NASA Technical Reports Server (NTRS)

Guit, Bill

2015-01-01

This presentation will describe the early days of the EOS Aqua and Aura operational collision avoidance process. It will highlight EOS debris avoidance maneuvers, EOS high interest event statistic and A-Train systematic conjunctions and conclude with future challenges. This is related to earlier e-DAA (tracking number 21692) that an abstract was submitted to a different conference. Eric Moyer, ESMO Deputy Project Manager has reviewed and approved this presentation on May 6, 2015

Consideration of Collision "Consequence" in Satellite Conjunction Assessment and Risk Analysis

NASA Technical Reports Server (NTRS)

Hejduk, M.; Laporte, F.; Moury, M.; Newman, L.; Shepperd, R.

2017-01-01

Classic risk management theory requires the assessment of both likelihood and consequence of deleterious events. Satellite conjunction risk assessment has produced a highly-developed theory for assessing collision likelihood but holds a completely static solution for collision consequence, treating all potential collisions as essentially equally worrisome. This may be true for the survival of the protected asset, but the amount of debris produced by the potential collision, and therefore the degree to which the orbital corridor may be compromised, can vary greatly among satellite conjunctions. This study leverages present work on satellite collision modeling to develop a method by which it can be estimated, to a particular confidence level, whether a particular collision is likely to produce a relatively large or relatively small amount of resultant debris and how this datum might alter conjunction remediation decisions. The more general question of orbital corridor protection is also addressed, and a preliminary framework presented by which both collision likelihood and consequence can be jointly considered in the risk assessment process.

Complementary molecular and elemental detection of speciated thioarsenicals using ESI-MS in combination with a xenon-based collision-cell ICP-MS with application to fortified NIST freeze-dried urine.

PubMed

Ellis, Jenny L; Conklin, Sean D; Gallawa, Christina M; Kubachka, Kevin M; Young, Andrea R; Creed, Patricia A; Caruso, Joseph A; Creed, John T

2008-04-01

The simultaneous detection of arsenic and sulfur in thioarsenicals was achieved using xenon-based collision-cell inductively coupled plasma (ICP) mass spectrometry (MS) in combination with high-performance liquid chromatography. In an attempt to minimize the (16)O(16)O(+) interference at m/z 32, both sample introduction and collision-cell experimental parameters were optimized. Low flow rates (0.25 mL/min) and a high methanol concentration (8%) in the mobile phase produced a fourfold decrease in the m/z 32 background. A plasma sampling depth change from 3 to 7 mm produced a twofold decrease in background at m/z 32, with a corresponding fourfold increase in the signal associated with a high ionization surrogate for sulfur. The quadrupole bias and the octopole bias were used as a kinetic energy discriminator between background and analyte ions, but a variety of tuning conditions produced similar (less than twofold change) detection limits for sulfur ((32)S). A 34-fold improvement in the (32)S detection limit was achieved using xenon instead of helium as a collision gas. The optimized xenon-based collision cell ICP mass spectrometer was then used with electrospray ionization MS to provide elemental and molecular-based information for the analysis of a fortified sample of NIST freeze-dried urine. The 3sigma detection limits, based on peak height for dimethylthioarsinic acid (DMTA) and trimethylarsine sulfide (TMAS), were 15 and 12 ng/g, respectively. Finally, the peak area reproducibilities (percentage relative standard deviation) of a 5-ppm fortified sample of NIST freeze dried urine for DMTA and TMAS were 7.4 and 5.4%, respectively.

Process and product development in the manufacturing of molecular therapeutics.

PubMed

Atkinson, E M; Christensen, J R

1999-08-01

In the development of molecular therapies, a great deal of attention has focused on tissue targets, gene delivery vectors, and expression cassettes. In order to become an approved therapy, however, a molecular therapeutic has to pass down the same product registration pathway as any other biological product. Moving from research into industrial production requires careful attention to regulatory, manufacturing and quality concerns. Early work on developing and characterizing robust and scaleable manufacturing processes will ultimately be rewarded by ease of implementation as the product is successful in clinical trials. Regulatory agencies require solid process and product characterization studies to demonstrate control and understanding of the molecular therapeutic. As the gene therapy industry matures, standards will continue to rise, creating an industry that is capable of producing safe, high-quality and effective therapies for many of the world's most difficult disease targets.

Collisions of dark matter axion stars with astrophysical sources

DOE PAGES

Eby, Joshua; Leembruggen, Madelyn; Leeney, Joseph; ...

2017-04-18

If QCD axions form a large fraction of the total mass of dark matter, then axion stars could be very abundant in galaxies. As a result, collisions with each other, and with other astrophysical bodies, can occur. We calculate the rate and analyze the consequences of three classes of collisions, those occurring between a dilute axion star and: another dilute axion star, an ordinary star, or a neutron star. In all cases we attempt to quantify the most important astrophysical uncertainties; we also pay particular attention to scenarios in which collisions lead to collapse of otherwise stable axion stars, and possible subsequent decay through number changing interactions. Collisions between two axion stars can occur with a high total rate, but the low relative velocity required for collapse to occur leads to a very low total rate of collapses. On the other hand, collisions between an axion star and an ordinary star have a large rate,more » $$\\Gamma_\\odot \\sim 3000$$ collisions/year/galaxy, and for sufficiently heavy axion stars, it is plausible that most or all such collisions lead to collapse. We identify in this case a parameter space which has a stable region and a region in which collision triggers collapse, which depend on the axion number ($N$) in the axion star, and a ratio of mass to radius cubed characterizing the ordinary star ($$M_s/R_s^3$$). Finally, we revisit the calculation of collision rates between axion stars and neutron stars, improving on previous estimates by taking cylindrical symmetry of the neutron star distribution into account. Finally, collapse and subsequent decay through collision processes, if occurring with a significant rate, can affect dark matter phenomenology and the axion star mass distribution.« less

Data on inelastic processes in low-energy potassium-hydrogen and rubidium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Yakovleva, S. A.; Barklem, P. S.; Belyaev, A. K.

2018-01-01

Two sets of rate coefficients for low-energy inelastic potassium-hydrogen and rubidium-hydrogen collisions were computed for each collisional system based on two model electronic structure calculations, performed by the quantum asymptotic semi-empirical and the quantum asymptotic linear combinations of atomic orbitals (LCAO) approaches, followed by quantum multichannel calculations for the non-adiabatic nuclear dynamics. The rate coefficients for the charge transfer (mutual neutralization, ion-pair formation), excitation and de-excitation processes are calculated for all transitions between the five lowest lying covalent states and the ionic states for each collisional system for the temperature range 1000-10 000 K. The processes involving higher lying states have extremely low rate coefficients and, hence, are neglected. The two model calculations both single out the same partial processes as having large and moderate rate coefficients. The largest rate coefficients correspond to the mutual neutralization processes into the K(5s 2S) and Rb(4d 2D) final states and at temperature 6000 K have values exceeding 3 × 10-8 cm3 s-1 and 4 × 10-8 cm3 s-1, respectively. It is shown that both the semi-empirical and the LCAO approaches perform equally well on average and that both sets of atomic data have roughly the same accuracy. The processes with large and moderate rate coefficients are likely to be important for non-LTE modelling in atmospheres of F, G and K-stars, especially metal-poor stars.

Study the sensitivity of molecular functional groups to bioethanol processing in lipid biopolymer of co-products using DRIFT molecular spectroscopy

NASA Astrophysics Data System (ADS)

Yu, Peiqiang

2011-11-01

To date, there is no study on bioethanol processing-induced changes in molecular structural profiles mainly related to lipid biopolymer. The objectives of this study were to: (1) determine molecular structural changes of lipid related functional groups in the co-products that occurred during bioethanol processing; (2) relatively quantify the antisymmetric CH 3 and CH 2 (ca. 2959 and 2928 cm -1, respectively), symmetric CH 3 and CH 2 (ca. 2871 and 2954 cm -1, respectively) functional groups, carbonyl C dbnd O ester (ca. 1745 cm -1) and unsaturated groups (CH attached to C dbnd C) (ca. 3007 cm -1) spectral intensities as well as their ratios of antisymmetric CH 3 to antisymmetric CH 2, and (3) illustrate the molecular spectral analyses as a research tool to detect for the sensitivity of individual moleculars to the bioethanol processing in a complex plant-based feed and food system without spectral parameterization. The hypothesis of this study was that bioethanol processing changed the molecular structure profiles in the co-products as opposed to original cereal grains. These changes could be detected by infrared molecular spectroscopy and will be related to nutrient utilization. The results showed that bioethanol processing had effects on the functional groups spectral profiles in the co-products. It was found that the CH 3-antisymmetric to CH 2-antisymmetric stretching intensity ratio was changed. The spectral features of carbonyl C dbnd O ester group and unsaturated group were also different. Since the different types of cereal grains (wheat vs. corn) had different sensitivity to the bioethanol processing, the spectral patterns and band component profiles differed between their co-products (wheat DDGS vs. corn DDGS). The multivariate molecular spectral analyses, cluster analysis and principal component analysis of original spectra (without spectral parameterization), distinguished the structural differences between the wheat and wheat DDGS and between the corn

Collision-Induced Absorption Spectra of Binary Mixtures of Molecular Hydrogen with Molecular Deuterium and Argon and of Pure Hydrogen, D

NASA Astrophysics Data System (ADS)

Hsieh, Chang-Tsang William

In the present research project a systematic study of the collision-induced infrared absorption (CIA) spectra of the binary mixtures of H_2 - D_2 in the region of the double fundamental vibrations of H_2 and D_2, and H_2 - Ar in the fundamental band of H_2, and of pure HD in its fundamental and first overtone regions was undertaken. The experiments were carried out with a 2.0 m high-pressure low-temperature transmission-type absorption cell at 77, 201 and 296 K at total gas densities up to 550 amagat. Infrared prism and grating spectrometers equipped with a microprocessor -controlled stepping motor were used to record the spectra. All the experimental results obtained represent first-time observations in collision-induced absorption. Collision-induced infrared absorption spectra of the double transitions of H_2(v=1>=ts 0) and D_2(v=1>=ts 0) have been observed at 77 and 201 K in the spectral region 7000-8000 cm^{-1} for total gas densities up to 550 amagat with a partial gas density ratio of 1:1 of H_2 and D_2. The observed spectra are interpreted in terms of the transitions, Q_1(J) of H_2+Q_1(J) of D _2, Q_1(J) of H_2+S _1(J) of D_2, S_1(J) of H_2 + Q_1(J) of D_2, and S_1(J) of H_2 + S_1(J) of D_2 for J = 0 and 1 for H _2 and J = 0, 1, and 2 for D_2. Analysis of the experimental absorption profiles was carried out using appropriate lineshape functions. The absorption coefficients, lineshape parameters, etc., are obtained from the analysis. Collision-induced enhancement absorption spectra of the fundamental band of H_2 in H_2 - Ar mixtures were recorded at room temperature for a base density of 72 amagat of H_2 for several partial densities of Ar up to 440 amagat. Hexadecapole-induced U transitions, U_1(1), U_1(2), Q_1(0)+U _0(1), and Q_1(1) + U_0(1) have been identified in the spectral region 5400 -6200 cm^{-1}. A "cage" model has been proposed to account for the double transitions of H_2 - H_2 in the H _2 - Ar enhancement spectra. From the analysis of the

Vertical distribution of vibrational energy of molecular nitrogen in a stable auroral red arc and its effect on ionospheric electron densities. Ph.D. Thesis - Catholic Univ. of Am.

NASA Technical Reports Server (NTRS)

Newton, G. P.

1973-01-01

Previous solutions of the problem of the distribution of vibrationally excited molecular nitrogen in the thermosphere have either assumed a Boltzmann distribution and considered diffusion as one of the loss processes or solved for the energy level populations and neglected diffusion. Both of the previous approaches are combined by solving the time dependent continuity equations, including the diffusion process, for the first six energy levels of molecular nitrogen for conditions in the thermosphere corresponding to a stable auroral red arc. The primary source of molecular nitrogen excitation was subexcitation, and inelastic collisions between thermal electrons and molecular nitrogen. The reaction rates for this process were calculated from published cross section calculations. The loss processes for vibrational energy were electron and atomic oxygen quenching and vibrational energy exchange. The coupled sets of nonlinear, partial differential equations were solved numerically by employing finite difference equations.

Collision-Induced Dissociation of Electrosprayed Protein Complexes: An All-Atom Molecular Dynamics Model with Mobile Protons.

PubMed

Popa, Vlad; Trecroce, Danielle A; McAllister, Robert G; Konermann, Lars

2016-06-16

Electrospray ionization mass spectrometry (ESI-MS) has become an indispensable technique for examining noncovalent protein complexes. Collision-induced dissociation (CID) of these multiply protonated gaseous ions usually culminates in ejection of a single subunit with a disproportionately large amount of charge. Experiments suggest that this process involves subunit unfolding prior to separation from the residual complex, as well as H(+) migration onto the unravelling chain. Molecular dynamics (MD) simulations are a promising avenue for gaining detailed insights into these CID events. Unfortunately, typical MD algorithms do not allow for mobile protons. Here we address this limitation by implementing a strategy that combines atomistic force fields (such as OPLS/AA and CHARMM36) with a proton hopping algorithm, focusing on the tetrameric complexes transthyretin and streptavidin. Protons are redistributed over all acidic and basic sites in 20 ps intervals, subject to an energy function that reflects electrostatic interactions and proton affinities. Our simulations predict that nativelike conformers at the onset of collisional heating contain multiple salt bridges. Collisional heating initially causes subtle structural changes that lead to a gradual decline of these zwitterionic patterns. Many of the MD runs show gradual unfolding of a single subunit in conjunction with H(+) migration, culminating in subunit separation from the complex. However, there are also instances where two or more chains start to unfold simultaneously, giving rise to charge competition. The scission point where the "winning" subunit separates from the complex can be attained for different degrees of unfolding, giving rise to product ions in various charge states. The simulated product ion distributions are in close agreement with experimental CID data. Proton enrichment in the departing subunit is driven by charge-charge repulsion, but the combination of salt bridge depletion, charge migration

A New Look at the Molecular Gas in M42 and M43: Possible Evidence for Cloud–Cloud Collision that Triggered Formation of the OB Stars in the Orion Nebula Cluster

NASA Astrophysics Data System (ADS)

Fukui, Yasuo; Torii, Kazufumi; Hattori, Yusuke; Nishimura, Atsushi; Ohama, Akio; Shimajiri, Yoshito; Shima, Kazuhiro; Habe, Asao; Sano, Hidetoshi; Kohno, Mikito; Yamamoto, Hiroaki; Tachihara, Kengo; Onishi, Toshikazu

2018-06-01

The Orion Nebula Cluster toward the H II region M42 is the most outstanding young cluster at the smallest distance (410 pc) among the rich high-mass stellar clusters. By newly analyzing the archival molecular data of the 12CO(J = 1–0) emission at 21″ resolution, we identified at least three pairs of complementary distributions between two velocity components at 8 and 13 km s‑1. We present a hypothesis that the two clouds collided with each other and triggered formation of the high-mass stars, mainly toward two regions including the nearly 10 O stars in M42 and the B star, NU Ori, in M43. The timescale of the collision is estimated to be ∼0.1 Myr by a ratio of the cloud size and velocity corrected for projection, which is consistent with the age of the youngest cluster members less than 0.1 Myr. The majority of the low-mass cluster members were formed prior to the collision in the last Myr. We discuss the implications of the present hypothesis and the scenario of high-mass star formation by comparing with the other eight cases of triggered O-star formation via cloud–cloud collision.

Molecular characteristics of stress overshoot for polymer melts under start-up shear flow.

PubMed

Jeong, Sohdam; Kim, Jun Mo; Baig, Chunggi

2017-12-21

Stress overshoot is one of the most important nonlinear rheological phenomena exhibited by polymeric liquids undergoing start-up shear at sufficient flow strengths. Despite considerable previous research, the fundamental molecular characteristics underlying stress overshoot remain unknown. Here, we analyze the intrinsic molecular mechanisms behind the overshoot phenomenon using atomistic nonequilibrium molecular dynamics simulations of entangled linear polyethylene melts under shear flow. Through a detailed analysis of the transient rotational chain dynamics, we identify an intermolecular collision angular regime in the vicinity of the chain orientation angle θ ≈ 20° with respect to the flow direction. The shear stress overshoot occurs via strong intermolecular collisions between chains in the collision regime at θ = 15°-25°, corresponding to a peak strain of 2-4, which is an experimentally well-known value. The normal stress overshoot appears at approximately θ = 10°, at a corresponding peak strain roughly equivalent to twice that for the shear stress. We provide plausible answers to several basic questions regarding the stress overshoot, which may further help understand other nonlinear phenomena of polymeric systems.

Cross-correlation between the controlled collision environment and real-world motor vehicle collisions: Evaluating the protection of the thoracic side airbag.

PubMed

Gaylor, Luke; Junge, Mirko; Abanteriba, Sylvester

2018-05-19

Thoracic side airbags (tSABs) were integrated into the vehicle fleet to attenuate and distribute forces on the occupant's chest and abdomen, dissipate the impact energy, and move the occupant away from the intruding structure, all of which reduce the risk of injury. This research piece investigates and evaluates the safety performance of the airbag unit by cross-correlating data from a controlled collision environment with field data. We focus exclusively on vehicle-vehicle lateral impacts from the NHTSA's Vehicle Crash Test Database and NASS-CDS database, which are replicated in the controlled environment by the (crabbed) barrier impact. Similar collisions with and without seat-embedded tSABs are matched to each other and the injury risks are compared. Results indicated that dummy-based thoracic injury metrics were significantly lower with tSAB exposure (P <.001). Yet, when the controlled collision environment data were cross-correlated with NASS-CDS collisions, deployment of the tSAB indicated no association with thoracic injury (tho. MAIS 2+ unadjusted relative risk [RR] = 1.14; 90% confidence interval [CI], 0.80-1.62; tho. MAIS 3+ unadjusted RR = 1.12; 90% CI, 0.76-1.65). The data from the controlled collision environment indicated an unequivocal benefit provided by the thoracic side airbag for the crash dummy; however, the real-world collisions demonstrate that no benefit is provided to the occupant. This has resulted from a noncorrelation between the crash test/dummy-based design taking the abstracting process too far to represent the real-world collision scenario.

Low-energy charge transfer for collisions of Si3+ with atomic hydrogen

NASA Astrophysics Data System (ADS)

Bruhns, H.; Kreckel, H.; Savin, D. W.; Seely, D. G.; Havener, C. C.

2008-06-01

Cross sections of charge transfer for Si3+ ions with atomic hydrogen at collision energies of ≈40-2500eV/u were carried out using a merged-beam technique at the Multicharged Ion Research Facility at Oak Ridge National Laboratory. The data span an energy range in which both molecular orbital close coupling (MOCC) and classical trajectory Monte Carlo (CTMC) calculations are available. The influence of quantum mechanical effects of the ionic core as predicted by MOCC is clearly seen in our results. However, discrepancies between our experiment and MOCC results toward higher collision energies are observed. At energies above 1000 eV/u good agreement is found with CTMC results.

Analytical Wave Functions for Ultracold Collisions.

NASA Astrophysics Data System (ADS)

Cavagnero, M. J.

1998-05-01

Secular perturbation theory of long-range interactions(M. J. Cavagnero, PRA 50) 2841, (1994). has been generalized to yield accurate wave functions for near threshold processes, including low-energy scattering processes of interest at ultracold temperatures. In particular, solutions of Schrödinger's equation have been obtained for motion in the combined r-6, r-8, and r-10 potentials appropriate for describing an utlracold collision of two neutral ground state atoms. Scattering lengths and effective ranges appropriate to such potentials are readily calculated at distances comparable to the LeRoy radius, where exchange forces can be neglected, thereby eliminating the need to integrate Schrödinger's equation to large internuclear distances. Our method yields accurate base pair solutions well beyond the energy range of effective range theories, making possible the application of multichannel quantum defect theory [MQDT] and R-matrix methods to the study of ultracold collisions.

Electron capture in collisions of N+ with H and H+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2005-06-01

Charge-transfer processes due to collisions of N+ with atomic hydrogen and H+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational couplings obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1meV/u-1keV/u are presented and compared with existing experimental and theoretical data. A large number of low-energy resonances are obtained for exoergic channels and near thresholds of endoergic channels. Rate coefficients are also obtained and comparison to previous calculations suggests nonadiabatic effects dominate for temperatures greater than 20 000 K, but that the spin-orbit interaction plays a major role for lower temperatures.

Deprotonation of formic acid in collisions with a liquid water surface studied by molecular dynamics and metadynamics simulations.

PubMed

Murdachaew, Garold; Nathanson, Gilbert M; Benny Gerber, R; Halonen, Lauri

2016-11-21

Deprotonation of organic acids at aqueous surfaces has important implications in atmospheric chemistry and other disciplines, yet it is not well-characterized or understood. This article explores the interactions of formic acid (FA), including ionization, in collisions at the air-water interface. Ab initio molecular dynamics simulations with dispersion-corrected density functional theory were used. The 8-50 picosecond duration trajectories all resulted in the adsorption of FA within the interfacial region, with no scattering, absorption into the bulk or desorption into the vapor. Despite the known weak acidity of FA, spontaneous deprotonation of the acid was observed at the interface on a broad picosecond timescale, ranging from a few picoseconds typical for stronger acids to tens of picoseconds. Deprotonation occurred in 4% of the trajectories, and was followed by Grotthuss proton transfer through adjacent water molecules. Both sequential and ultrafast concerted proton transfer were observed. The formation of contact ion pairs and solvent-separated ion pairs, and finally the reformation of neutral FA, both trans and cis conformers, occurred in different stages of the dynamics. To better understand the deprotonation mechanisms at the interface compared with the process in bulk water, we used well-tempered metadynamics to obtain deprotonation free energy profiles. While in bulk water FA deprotonation has a free energy barrier of 14.8 kJ mol -1 , in fair agreement with the earlier work, the barrier at the interface is only 7.5 kJ mol -1 . Thus, at the air-water interface, FA may dissociate more rapidly than in the bulk. This finding can be rationalized with reference to the dissimilar aqueous solvation and hydrogen-bonding environments in the interface compared to those in bulk liquid water.

Electron capture in collisions of S4+ with atomic hydrogen

NASA Astrophysics Data System (ADS)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-06-01

Charge transfer processes due to collisions of ground state S4+(3s2 1S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented.

Ion-neutral chemistry at ultralow energies: dynamics of reactive collisions between laser-cooled Ca+ ions and Rb atoms in an ion-atom hybrid trap†

NASA Astrophysics Data System (ADS)

Hall, Felix H. J.; Eberle, Pascal; Hegi, Gregor; Raoult, Maurice; Aymar, Mireille; Dulieu, Olivier; Willitsch, Stefan

2013-08-01

Cold chemical reactions between laser-cooled Ca+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the range of collision energies ⟨E coll⟩/k B=20 mK-20 K. The lowest energies were achieved in experiments using single localised Ca+ ions. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes in this system (non-radiative and radiative charge transfer as well as radiative association leading to the formation of CaRb+ molecular ions) have been analysed using high-level quantum-chemical calculations of the potential energy curves of CaRb+ and quantum-scattering calculations for the radiative channels. For the present low-energy scattering experiments, it is shown that the energy dependence of the reaction rate constants is governed by long-range interactions in line with the classical Langevin model, but their magnitude is determined by short-range non-adiabatic and radiative couplings which only weakly depend on the asymptotic energy. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral reactive collisions.

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas.

NASA Astrophysics Data System (ADS)

Huo, Winifred M.

1997-10-01

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for this type of calculations. Here we describe a recently developed technique, the finite element Z-matrix method. Analogous to the R-matrix method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics,(C. J. Gillan, J. Tennyson, and P. G. Burke, Chapter 10 in Computational Methods for Electron-Molecule Collisions), W. M. Huo and F. A. Gianturco, Editors, Plenum, New York (1995), p. 239. the Z-matrix method is fully variational.(D. Brown and J. C. Light, J. Chem. Phys. 101), 3723 (1994). In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A^3Σ_u^+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N_2, and to the lowest two limits in the case of CF. For N_2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X^1Σ_g^+ state, but direct dissociation appears to be preferable if the initial state is the A^3Σ_u^+ state. Multi-configuration SCF target functions are used in the collisional calculation,

Bibliography of atomic and molecular processes. Volume 1, 1978-1981

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

Barnett, C.F.; Crandall, D.H.; Farmer, B.J.

1982-10-01

This annotated bibliography lists 10,676 works on atomic and molecular processes reported in publications dated 1978-1981. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the county of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactantsmore » within each subcategory.« less

Simplified bionic solutions: a simple bio-inspired vehicle collision detection system

PubMed Central

Hartbauer, Manfred

2018-01-01

a driving assistant, converting the first into braking force and the latter into steering responses to avoid collisions. Since many processing steps were computed on the level of pixels and involved elements of direction-selective networks, this algorithm can be implemented in hardware so that parallel computations enhance the processing speed significantly. PMID:28091394

Simplified bionic solutions: a simple bio-inspired vehicle collision detection system.

PubMed

Hartbauer, Manfred

2017-02-15

for a driving assistant, converting the first into braking force and the latter into steering responses to avoid collisions. Since many processing steps were computed on the level of pixels and involved elements of direction-selective networks, this algorithm can be implemented in hardware so that parallel computations enhance the processing speed significantly.

Linear momentum, angular momentum and energy in the linear collision between two balls

NASA Astrophysics Data System (ADS)

Hanisch, C.; Hofmann, F.; Ziese, M.

2018-01-01

In an experiment of the basic physics laboratory, kinematical motion processes were analysed. The motion was recorded with a standard video camera having frame rates from 30 to 240 fps the videos were processed using video analysis software. Video detection was used to analyse the symmetric one-dimensional collision between two balls. Conservation of linear and angular momentum lead to a crossover from rolling to sliding directly after the collision. By variation of the rolling radius the system could be tuned from a regime in which the balls move away from each other after the collision to a situation in which they re-collide.

Intermolecular Coulombic Decay (ICD) Occuring in Triatomic Molecular Dimer

NASA Astrophysics Data System (ADS)

Iskandar, Wael; Gatton, Averell; Gaire, Bishwanath; Champenois, Elio; Larsen, Kirk; Shivaram, Niranjan; Moradmand, Ali; Severt, Travis; Williams, Joshua; Slaughter, Daniel; Weber, Thorsten

2017-04-01

For over two decades, the production of ICD process has been extensively investigated theoretically and experimentally in different systems bounded by a week force (ex. van-der-Waals or Hydrogen force). Furthermore, the ICD process has been demonstrated a strong implication in biological system (DNA damage and DNA repair mechanism) because of the production of genotoxic low energy electrons during the decay cascade. Studying large complex system such as triatomic molecular dimer may be helpful for further exploration of ``Auger electron driven cancer therapy''. The present experiment investigates the dissociation dynamics happened in collision between a photons and CO2 dimer. We will focus more specifically on the CO2++CO2+ fragmentation channel and the detection in coincidence of the two ionic fragments and the two electrons will be done using a COld Target Recoil Ion Momentum Spectroscopy (COLTRIMS). The measurements of the Kinetic Energy Release of the two fragments and the relative angular distribution of the electrons in the molecular frame reveal that the ICD is the only mechanism responsible for the production of this fragmentation channel.

Impact parameter smearing effects on isospin sensitive observables in heavy ion collisions

NASA Astrophysics Data System (ADS)

Li, Li; Zhang, Yingxun; Li, Zhuxia; Wang, Nan; Cui, Ying; Winkelbauer, Jack

2018-04-01

The validity of impact parameter estimation from the multiplicity of charged particles at low-intermediate energies is checked within the framework of the improved quantum molecular dynamics model. The simulations show that the multiplicity of charged particles cannot estimate the impact parameter of heavy ion collisions very well, especially for central collisions at the beam energies lower than ˜70 MeV/u due to the large fluctuations of the multiplicity of charged particles. The simulation results for the central collisions defined by the charged particle multiplicity are compared to those by using impact parameter b =2 fm and it shows that the charge distribution for 112Sn+112Sn at the beam energy of 50 MeV/u is different evidently for two cases; and the chosen isospin sensitive observable, the coalescence invariant single neutron to proton yield ratio, reduces less than 15% for neutron-rich systems Sn,132124+124Sn at Ebeam=50 MeV/u, while the coalescence invariant double neutron to proton yield ratio does not have obvious difference. The sensitivity of the chosen isospin sensitive observables to effective mass splitting is studied for central collisions defined by the multiplicity of charged particles. Our results show that the sensitivity is enhanced for 132Sn+124Sn relative to that for 124Sn+124Sn , and this reaction system should be measured in future experiments to study the effective mass splitting by heavy ion collisions.

Sympathetic Cooling of Molecular Ions in Selected Rotational and Vibrational States Produced by Threshold Photoionization

NASA Astrophysics Data System (ADS)

Tong, Xin; Winney, Alexander H.; Willitsch, Stefan

2010-10-01

We present a new method for the generation of rotationally and vibrationally state-selected, translationally cold molecular ions in ion traps. Our technique is based on the state-selective threshold photoionization of neutral molecules followed by sympathetic cooling of the resulting ions with laser-cooled calcium ions. Using N2+ ions as a test system, we achieve >90% selectivity in the preparation of the ground rovibrational level and state lifetimes on the order of 15 minutes limited by collisions with background-gas molecules. The technique can be employed to produce a wide range of apolar and polar molecular ions in the ground and excited rovibrational states. Our approach opens up new perspectives for cold quantum-controlled ion-molecule-collision studies, frequency-metrology experiments with state-selected molecular ions and molecular-ion qubits.

Spectral line shapes of collision-induced light scattering (CILS) and collision-induced absorption (CIA) using isotropic intermolecular potential for H2-Ar

NASA Astrophysics Data System (ADS)

El-Kader, M. S. A.; Godet, J.-L.; El-Sadek, A. A.; Maroulis, G.

2017-10-01

Quantum mechanical line shapes of collision-induced light scattering at room temperature (295 K) and collision-induced absorption at T = 195 K are computed for gaseous mixtures of molecular hydrogen and argon using theoretical values for pair-polarisability trace and anisotropy and induced dipole moments as input. Comparison with other theoretical spectra of isotropic and anisotropic light scattering and measured spectra of absorption shows satisfactory agreement, for which the uncertainty in measurement of its spectral moments is seen to be large. Ab initio models of the trace and anisotropy polarisability which reproduce the recent spectra of scattering are given. Empirical model of the dipole moment which reproduce the experimental spectra and the first three spectral moments more closely than the fundamental theory are also given. Good agreement between computed and/or experimental line shapes of both absorption and scattering is obtained when the potential model which is constructed from the transport and thermo-physical properties is used.

Speed Approach for UAV Collision Avoidance

NASA Astrophysics Data System (ADS)

Berdonosov, V. D.; Zivotova, A. A.; Htet Naing, Zaw; Zhuravlev, D. O.

2018-05-01

The article represents a new approach of defining potential collision of two or more UAVs in a common aviation area. UAVs trajectories are approximated by two or three trajectories’ points obtained from the ADS-B system. In the process of defining meeting points of trajectories, two cutoff values of the critical speed range, at which a UAVs collision is possible, are calculated. As calculation expressions for meeting points and cutoff values of the critical speed are represented in the analytical form, even if an on-board computer system has limited computational capacity, the time for calculation will be far less than the time of receiving data from ADS-B. For this reason, calculations can be updated at each cycle of new data receiving, and the trajectory approximation can be bounded by straight lines. Such approach allows developing the compact algorithm of collision avoidance, even for a significant amount of UAVs (more than several dozens). To proof the research adequacy, modeling was performed using a software system developed specifically for this purpose.

A quasi-molecular dynamics simulation study on the effect of particles collisions in pulsed-laser desorption

NASA Astrophysics Data System (ADS)

Xinyu-Tan; Duanming-Zhang; Shengqin-Feng; Li, Zhi-hua; Li, Guan; Li, Li; Dan, Liu

2006-05-01

The dynamics characteristic and effect of atoms and particulates ejected from the surface generated by nanosecond pulsed-laser ablation are very important. In this work, based on the consideration of the inelasticity and non-uniformity of the plasma particles thermally desorbed from a plane surface into vacuum induced by nanosecond laser ablation, the one-dimensional particles flow is studied on the basis of a quasi-molecular dynamics (QMD) simulation. It is assumed that atoms and particulates ejected from the surface of a target have a Maxwell velocity distribution corresponding to the surface temperature. Particles collisions in the ablation plume. The particles mass is continuous and satisfies fractal theory distribution. Meanwhile, the particles are inelastic. Our results show that inelasticity and non-uniformity strongly affect the dynamics behavior of the particles flow. Along with the decrease of restitution coefficient e and increase of fractional dimension D, velocity distributions of plasma particles system all deviate from the initial Gaussian distribution. The increasing of dissipation energy ΔE leads to density distribution clusterized and closed up to the center mass. Predictions of the particles action based on the proposed fractal and inelasticity model are found to be in agreement with the experimental observation. This verifies the validity of the present model for the dynamics behavior of pulsed-laser-induced particles flow.

Electron Capture in Proton Collisions with CO.

NASA Astrophysics Data System (ADS)

Stancil, P. C.; Schultz, D. R.; Kimura, M.; Gu, J.-P.; Hirsch, G.; Buenker, R. J.; Li, Y.

1999-10-01

Electron capture by protons following collisions with carbon monoxide is studied with a variety of theoretical approaches including quantal and semiclassical molecular-orbital close-coupling (MOCC) and classical trajectory Monte Carlo (CTMC) techniques. The MOCC treatments utilize potential surfaces and couplings computed for a range of H^+-CO orientation angles and C-O separations. Results including integral, differential, electronic state-selective, and vibrational state-selective cross sections will be presented for low- to intermediate-energies. Comparison with experiment will be made where possible and the relevance of the reaction in astrophysics and atmospheric physics will be discussed.

Carboxymethylcellulose adsorption on molybdenite: the effect of electrolyte composition on adsorption, bubble-surface collisions, and flotation.

PubMed

Kor, Mohammad; Korczyk, Piotr M; Addai-Mensah, Jonas; Krasowska, Marta; Beattie, David A

2014-10-14

The adsorption of carboxymethylcellulose polymers on molybdenite was studied using spectroscopic ellipsometry and atomic force microscopy imaging with two polymers of differing degrees of carboxyl group substitution and at three different electrolyte conditions: 1 × 10(-2) M KCl, 2.76 × 10(-2) M KCl, and simulated flotation process water of multicomponent electrolyte content, with an ionic strength close to 2.76 × 10(-2) M. A higher degree of carboxyl substitution in the adsorbing polymer resulted in adsorbed layers that were thinner and with more patchy coverage; increasing the ionic strength of the electrolyte resulted in increased polymer layer thickness and coverage. The use of simulated process water resulted in the largest layer thickness and coverage for both polymers. The effect of the adsorbed polymer layer on bubble-particle attachment was studied with single bubble-surface collision experiments recorded with high-speed video capture and image processing and also with single mineral molybdenite flotation tests. The carboxymethylcellulose polymer with a lower degree of substitution resulted in almost complete prevention of wetting film rupture at the molybdenite surface under all electrolyte conditions. The polymer with a higher degree of substitution prevented rupture only when adsorbed from simulated process water. Molecular kinetic theory was used to quantify the effect of the polymer on the dewetting dynamics for collisions that resulted in wetting film rupture. Flotation experiments confirmed that adsorbed polymer layer properties, through their effect on the dynamics of bubble-particle attachment, are critical to predicting the effectiveness of polymers used to prevent mineral recovery in flotation.

Multiple-collision analysis of characteristic X-rays from low-energy Ar 2+ travelling in solid targets

NASA Astrophysics Data System (ADS)

Cipolla, Sam J.; Mildebrath, Mark E.

1983-12-01

The density of atoms in a solid target fosters a multiple-collision mechanism that leads to the production of an equilibrium fraction of L-shell vacancies in an incident heavy ion. It is then possiblein a subsequent ion-atom collision in the solid for an L-vacancy to be transferred to the K-shell of a target atom via rotational coupling of the 2p π-2p σ molecular orbitals formed in the ion-atom quasimolecule. The vacancy-transfer cross section and the equilibrium fraction and lifetime of the vacancies can be found by using an appropriate multiple-collision analysis of the characteristic target and projectile X-rays. Results will be presented for 160-380 keV Ar 2+ incident of targets of Mg, Al, and Si.

Photons from the early stages of relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Oliva, L.; Ruggieri, M.; Plumari, S.; Scardina, F.; Peng, G. X.; Greco, V.

2017-07-01

We present results about photon-production in relativistic heavy-ion collisions. The main novelty of our study is the calculation of the contribution of the early-stage photons to the photon spectrum. The initial stage is modeled by an ensemble of classical gluon fields which decay to a quark-gluon plasma via the Schwinger mechanism, and the evolution of the system is studied by coupling classical field equations to relativistic kinetic theory; photon production is then computed by including the pertinent collision processes into the collision integral. We find that the contribution of the early-stage photons to the direct photon spectrum is substantial for pT≈2 GeV and higher, the exact value depending on the collision energy; therefore, we identify this part of the photon spectrum as the sign of the early stage. Moreover, the amount of photons produced during the early stage is not negligible with respect to those produced by a thermalized quark-gluon plasma: We support the idea that there is no dark age in relativistic heavy-ion collisions.

Neutrino quantum kinetic equations: The collision term

DOE PAGES

Blaschke, Daniel N.; Cirigliano, Vincenzo

2016-08-01

We derive the collision term relevant for neutrino quantum kinetic equations in the early universe and compact astrophysical objects, displaying its full matrix structure in both flavor and spin degrees of freedom. We include in our analysis neutrino-neutrino processes, scattering and annihilation with electrons and positrons, and neutrino scattering off nucleons (the latter in the low-density limit). After presenting the general structure of the collision terms, we take two instructive limiting cases. The one-flavor limit highlights the structure in helicity space and allows for a straightforward interpretation of the off-diagonal entries in terms of the product of scattering amplitudes ofmore » the two helicity states. As a result, the isotropic limit is relevant for studies of the early universe: in this case the terms involving spin coherence vanish and the collision term can be expressed in terms of two-dimensional integrals, suitable for computational implementation.« less

Electron Capture in Slow Collisions of Si4+ With Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-10-01

In recent years the charge transfer involving Si4+ and H at low energies has drawn considerable attention both theoretically and experimentally due to its importance not only in astronomical environments but also in modern semiconductor industries. Accurate information regarding its molecular structures and interactions are essential to understand the low energy collision dynamics. Ab initio calculations are performed using the multireference single- and double-excitation configuration-interaction (MRD-CI) method to evaluate potential energies. State selective cross sections are calculate using fully quantum and semi-classical molecular-orbital close coupling (MOCC) methods in the adiabatic representation. Detail results will be presented in the conference.

Collision Repair Campaign

EPA Pesticide Factsheets

The Collision Repair Campaign targets meaningful risk reduction in the Collision Repair source category to reduce air toxic emissions in their communities. The Campaign also helps shops to work towards early compliance with the Auto Body Rule.

From cellulose to kerogen: molecular simulation of a geological process.

PubMed

Atmani, Lea; Bichara, Christophe; Pellenq, Roland J-M; Van Damme, Henri; van Duin, Adri C T; Raza, Zamaan; Truflandier, Lionel A; Obliger, Amaël; Kralert, Paul G; Ulm, Franz J; Leyssale, Jean-Marc

2017-12-01

The process by which organic matter decomposes deep underground to form petroleum and its underlying kerogen matrix has so far remained a no man's land to theoreticians, largely because of the geological (Myears) timescale associated with the process. Using reactive molecular dynamics and an accelerated simulation framework, the replica exchange molecular dynamics method, we simulate the full transformation of cellulose into kerogen and its associated fluid phase under prevailing geological conditions. We observe in sequence the fragmentation of the cellulose crystal and production of water, the development of an unsaturated aliphatic macromolecular phase and its aromatization. The composition of the solid residue along the maturation pathway strictly follows what is observed for natural type III kerogen and for artificially matured samples under confined conditions. After expulsion of the fluid phase, the obtained microporous kerogen possesses the structure, texture, density, porosity and stiffness observed for mature type III kerogen and a microporous carbon obtained by saccharose pyrolysis at low temperature. As expected for this variety of precursor, the main resulting hydrocarbon is methane. The present work thus demonstrates that molecular simulations can now be used to assess, almost quantitatively, such complex chemical processes as petrogenesis in fossil reservoirs and, more generally, the possible conversion of any natural product into bio-sourced materials and/or fuel.

Simple model for molecular scattering

NASA Astrophysics Data System (ADS)

Mehta, Nirav; Ticknor, Christopher; Hazzard, Kaden

2017-04-01

The collisions of ultracold molecules are qualitatively different from the collisions of ultracold atoms due to the high density of bimolecular resonances near the collision energy. We present results from a simple N-channel scattering model with square-well channel potentials and constant channel couplings (inside the well) designed to reproduce essential features of chaotic molecular scattering. The potential depths and channel splittings are tuned to reproduce the appropriate density of states for the short-range bimolecular collision complex (BCC), which affords a direct comparison of the resulting level-spacing distribution to that expected from random matrix theory (RMT), namely the so-called Wigner surmise. The density of states also sets the scale for the rate of dissociation from the BCC to free molecules, as approximated by transition state theory (TST). Our model affords a semi-analytic solution for the scattering amplitude in the open channel, and a determinantal equation for the eigenenergies of the short-ranged BCC. It is likely the simplest finite-ranged scattering model that can be compared to expectations from the approximations of RMT, and TST. The validity of these approximations has implications for the many-channel Hubbard model recently developed. This research was funded in part by the National Science Foundation under Grant No. NSF PHY-1125915.

Dynamic molecular oxygen production in cometary comae.

PubMed

Yao, Yunxi; Giapis, Konstantinos P

2017-05-08

Abundant molecular oxygen was discovered in the coma of comet 67P/Churyumov-Gerasimenko. Its origin was ascribed to primordial gaseous O 2 incorporated into the nucleus during the comet's formation. This thesis was put forward after discounting several O 2 production mechanisms in comets, including photolysis and radiolysis of water, solar wind-surface interactions and gas-phase collisions. Here we report an original Eley-Rideal reaction mechanism, which permits direct O 2 formation in single collisions of energetic water ions with oxidized cometary surface analogues. The reaction proceeds by H 2 O + abstracting a surface O-atom, then forming an excited precursor state, which dissociates to produce O 2 - . Subsequent photo-detachment leads to molecular O 2 , whose presence in the coma may thus be linked directly to water molecules and their interaction with the solar wind. This abiotic O 2 production mechanism is consistent with reported trends in the 67P coma and raises awareness of the role of energetic negative ions in comets.

Dynamic molecular oxygen production in cometary comae

NASA Astrophysics Data System (ADS)

Yao, Yunxi; Giapis, Konstantinos P.

2017-05-01

Abundant molecular oxygen was discovered in the coma of comet 67P/Churyumov-Gerasimenko. Its origin was ascribed to primordial gaseous O2 incorporated into the nucleus during the comet's formation. This thesis was put forward after discounting several O2 production mechanisms in comets, including photolysis and radiolysis of water, solar wind-surface interactions and gas-phase collisions. Here we report an original Eley-Rideal reaction mechanism, which permits direct O2 formation in single collisions of energetic water ions with oxidized cometary surface analogues. The reaction proceeds by H2O+ abstracting a surface O-atom, then forming an excited precursor state, which dissociates to produce O2-. Subsequent photo-detachment leads to molecular O2, whose presence in the coma may thus be linked directly to water molecules and their interaction with the solar wind. This abiotic O2 production mechanism is consistent with reported trends in the 67P coma and raises awareness of the role of energetic negative ions in comets.

Launch Collision Probability

NASA Technical Reports Server (NTRS)

Bollenbacher, Gary; Guptill, James D.

1999-01-01

This report analyzes the probability of a launch vehicle colliding with one of the nearly 10,000 tracked objects orbiting the Earth, given that an object on a near-collision course with the launch vehicle has been identified. Knowledge of the probability of collision throughout the launch window can be used to avoid launching at times when the probability of collision is unacceptably high. The analysis in this report assumes that the positions of the orbiting objects and the launch vehicle can be predicted as a function of time and therefore that any tracked object which comes close to the launch vehicle can be identified. The analysis further assumes that the position uncertainty of the launch vehicle and the approaching space object can be described with position covariance matrices. With these and some additional simplifying assumptions, a closed-form solution is developed using two approaches. The solution shows that the probability of collision is a function of position uncertainties, the size of the two potentially colliding objects, and the nominal separation distance at the point of closest approach. ne impact of the simplifying assumptions on the accuracy of the final result is assessed and the application of the results to the Cassini mission, launched in October 1997, is described. Other factors that affect the probability of collision are also discussed. Finally, the report offers alternative approaches that can be used to evaluate the probability of collision.

Molecular hydrodynamics: Vortex formation and sound wave propagation

DOE PAGES

Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; ...

2018-01-14

In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data obtained from extensive molecular dynamics simulations, we computed the transverse and longitudinal components of the velocity field by the Helmholtz decomposition and compared them with those obtained from the linearized Navier-Stokes (LNS) equations with time-dependent transport coefficients. By investigating the vortex dynamics and the sound wave propagation in terms of these field components, we confirm the validity of the LNS description for times comparable to ormore » larger than several mean collision times. The LNS description still reproduces the transverse velocity field accurately at smaller times, but it fails to predict characteristic patterns of molecular origin visible in the longitudinal velocity field. Based on these observations, we validate the main assumptions of the mode-coupling approach. The assumption that the velocity autocorrelation function can be expressed in terms of the fluid velocity field and the tagged particle distribution is found to be remarkably accurate even for times comparable to or smaller than the mean collision time. This suggests that the hydrodynamic-mode description remains valid down to the molecular scale.« less

Molecular hydrodynamics: Vortex formation and sound wave propagation

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

Han, Kyeong Hwan; Kim, Changho; Talkner, Peter

In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data obtained from extensive molecular dynamics simulations, we computed the transverse and longitudinal components of the velocity field by the Helmholtz decomposition and compared them with those obtained from the linearized Navier-Stokes (LNS) equations with time-dependent transport coefficients. By investigating the vortex dynamics and the sound wave propagation in terms of these field components, we confirm the validity of the LNS description for times comparable to ormore » larger than several mean collision times. The LNS description still reproduces the transverse velocity field accurately at smaller times, but it fails to predict characteristic patterns of molecular origin visible in the longitudinal velocity field. Based on these observations, we validate the main assumptions of the mode-coupling approach. The assumption that the velocity autocorrelation function can be expressed in terms of the fluid velocity field and the tagged particle distribution is found to be remarkably accurate even for times comparable to or smaller than the mean collision time. This suggests that the hydrodynamic-mode description remains valid down to the molecular scale.« less

Polarization Spectroscopy and Collisions in NaK

NASA Astrophysics Data System (ADS)

Wolfe, C. M.; Ashman, S.; Huennekens, J.; Beser, B.; Bai, J.; Lyyra, A. M.

2009-05-01

We report current work to study transfer of population and orientation in collisions of NaK molecules with argon and potassium atoms using polarization labeling (PL) and laser-induced fluorescence (LIF) spectroscopy. In the PL experiment, a circularly polarized pump laser excites a specific NaK A^1&+circ;(v=16, J) <- X^1&+circ;(v=0, J±1) transition, creating an orientation (non-uniform MJ level distribution) in both levels. The linear polarized probe laser is scanned over various 3^1π(v=8, J' ±1) <- A^1&+circ;(v=16, J') transitions. The probe laser passes through a crossed linear polarizer before detection, and signal is recorded if the probe laser polarization has been modified by the vapor (which occurs when it comes into resonance with an oriented level). In addition to strong direct transitions (J' = J), we also observe weak collisional satellite lines (J' = J±n with n = 1, 2, 3, ...) indicating that orientation is transferred to adjacent rotational levels during a collision. An LIF experiment (with linear polarized pump and probe beams) gives information on the collisional transfer of population. From these data, cross sections for both processes can be determined. We experimentally distinguish collisions of NaK with argon atoms from collisions with alkali atoms.

Effect of Coulomb collision on the negative ion extraction mechanism in negative ion sources.

PubMed

Goto, I; Miyamoto, K; Nishioka, S; Mattei, S; Lettry, J; Abe, S; Hatayama, A

2016-02-01

To improve the H(-) ion beam optics, it is necessary to understand the energy relaxation process of surface produced H(-) ions in the extraction region of Cs seeded H(-) ion sources. Coulomb collisions of charged particles have been introduced to the 2D3V-PIC (two dimension in real space and three dimension in velocity space particle-in-cell) model for the H(-) extraction by using the binary collision model. Due to Coulomb collision, the lower energy part of the ion energy distribution function of H(-) ions has been greatly increased. The mean kinetic energy of the surface produced H(-) ions has been reduced to 0.65 eV from 1.5 eV. It has been suggested that the beam optics of the extracted H(-) ion beam is strongly affected by the energy relaxation process due to Coulomb collision.

Conservative Bin-to-Bin Fractional Collisions

DTIC Science & Technology

2016-06-28

BIN FRACTIONAL COLLISIONS Robert Martin ERC INC., SPACECRAFT PROPULSION BRANCH AIR FORCE RESEARCH LABORATORY EDWARDS AIR FORCE BASE, CA USA 30th...IMPORTANCE OF COLLISION PHYSICS Important Collisions in Spacecraft Propulsion : Discharge and Breakdown in FRC Collisional Radiative Cooling/Ionization...UNLIMITED; PA #16326 3 / 18 IMPORTANCE OF COLLISION PHYSICS Important Collisions in Spacecraft Propulsion : Discharge and Breakdown in FRC Collisional

Two-Dimensional Distributed Velocity Collision Avoidance

DTIC Science & Technology

2014-02-11

place (i.e., in the global problem space) as much as possible in an effort to simplify the process/description. Additionally, to make some of the...guide agents without collision in the vast majority of cases. NAWCWD TP 8786 31 7.0 REFERENCES 1. P. L. Franchi . “Near Misses Between

On the origin of the Orion and Monoceros molecular cloud complexes

NASA Technical Reports Server (NTRS)

Franco, J.; Tenorio-Tagle, G.; Bodenheimer, P.; Rozyczka, M.; Mirabel, I. F.

1988-01-01

A detailed model for the origin of the Orion and Monoceros cloud complexes is presented, showing that a single high-velocity H I cloud-galaxy collision can explain their main observed features. The collision generates massive shocked layers, and self-gravity can then provide the conditions for the transformation of these layers into molecular clouds. The clouds formed by the collision maintain the motion of their parental shocked gas and reach positions located far away from the plane. According to this model, both the Orion and Monoceros complexes were formed some 60 million yr ago, when the original shocked layer was fragmented by Galactic tidal forces.

Implementation of collisions on GPU architecture in the Vorpal code

NASA Astrophysics Data System (ADS)

Leddy, Jarrod; Averkin, Sergey; Cowan, Ben; Sides, Scott; Werner, Greg; Cary, John

2017-10-01

The Vorpal code contains a variety of collision operators allowing for the simulation of plasmas containing multiple charge species interacting with neutrals, background gas, and EM fields. These existing algorithms have been improved and reimplemented to take advantage of the massive parallelization allowed by GPU architecture. The use of GPUs is most effective when algorithms are single-instruction multiple-data, so particle collisions are an ideal candidate for this parallelization technique due to their nature as a series of independent processes with the same underlying operation. This refactoring required data memory reorganization and careful consideration of device/host data allocation to minimize memory access and data communication per operation. Successful implementation has resulted in an order of magnitude increase in simulation speed for a test-case involving multiple binary collisions using the null collision method. Work supported by DARPA under contract W31P4Q-16-C-0009.

Collisions with Springs: A Useful Context for the Study of Analytical Dynamics

ERIC Educational Resources Information Center

Twomey, Patrick; O'Sullivan, Colm; O'Riordan, John; Fahy, Stephen

2012-01-01

A recent paper in this journal describes an experimental demonstration of the conservation of total momentum before, during, and after an elastic collision between two bodies. The experiment also appears to show that total kinetic energy is conserved in the process, including "during" the collision. There is a danger that this may give rise to…

Quantitative prediction of collision-induced vibration-rotation distributions from physical data

NASA Astrophysics Data System (ADS)

Marsh, Richard J.; McCaffery, Anthony J.

2003-04-01

We describe a rapid, accurate technique for computing state-to-state cross-sections in collision-induced vibration-rotation transfer (VRT) using only physical data, i.e. spectroscopic constants, bond length, mass and velocity distribution. The probability of linear-to-angular momentum (AM) conversion is calculated for a set of trajectories, each of which is subjected to energy conservation boundary conditions. No mechanism is specified for inducing vibrational state change. In the model, this constitutes a velocity or momentum barrier that must be overcome before rotational AM may be generated in the new vibrational state. The method is subjected to stringent testing by calculating state-to-state VRT probabilities for diatomics in highly excited vibrational, rotational and electronic states. Comparison is made to experimental data and to results from quantum mechanical and from quasi-classical trajectory calculations. There is quantitative agreement with data from all three sources, indicating that despite its simplicity the essential physics of collisions involving highly excited species is captured in the model. We develop further the concept of the molecular efficiency factor as an indicative parameter in collision dynamics, and derive an expression for ji > 0 and for VRT.

Ball milling: An experimental support to the energy transfer evaluated by the collision model

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

Magini, M.; Iasonna, A.; Padella, F.

1996-01-01

In recent years several attempts have been made in order to understand the fundamentals of the ball milling process. The aim of these approaches is to establish predictive capabilities for this process, i.e. the possibility of obtaining a given product by suitable choosing the proper milling conditions. Maurice and Courtney have modeled ball milling in a planetary and in a vibratory mill including parameters like impact times, areas of the colliding surfaces (derived from hertzian collision theory), powder strain rates and pressure peak during collision. Burgio et al derived the kinematic equations of a ball moving on a planetary millmore » and the consequent ball-to-powder energy transfer occurring in a single collision event. The fraction of input energy transferred to the powder was subsequently estimated by an analysis of the collision event. Finally an energy map was constructed which was the basis for a model with predictive capabilities. The aim of the present article is to show that the arguments used to construct the model of the milling process has substantial experimental support.« less

Molecular formation in the stagnation region of colliding laser-produced plasmas

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

Al-Shboul, K. F.; Hassan, S. M.; Harilal, S. S.

2016-10-27

The laser-produced colliding plasmas have numerous attractive applications and stagnation layer formed during collisions between plasmas is a useful system for understanding particle collisions and molecular formation in a controlled way. In this article, we explore carbon dimer formation and its evolutionary paths in a stagnation layer formed during the interaction of two laser-produced plasmas. Colliding laser produced plasmas are generated by splitting a laser beam into two sub-beams and then focus them into either a single flat (laterally colliding plasmas) or a V-shaped graphite targets (orthogonally colliding plasmas). The C2 formation in the stagnation region of both colliding plasmamore » schemes is investigated using optical spectroscopic means and compared with emission features from single seed plasma. Our results show that the collisions among the plasmas followed by the stagnation layer formation lead to rapid cooling causing enhanced carbon dimer formation. In addition, plasma electron temperature, density and C2 molecular temperature were measured for the stagnation zone and compared with seed plasma.« less

Small Collision Systems at RHIC

NASA Astrophysics Data System (ADS)

Novitzky, Norbert

2018-02-01

The observation of long range correlations in highly asymmetric systems, as in p+Pb and d+Au collisions, suggests a creation of a medium with collective behavior. It is still an open question if the quark-gluon plasma is formed in these collision. Hence, the RHIC collider invested time to study the small systems in different collision systems and energies. Here we discuss the recent results from the PHENIX and STAR collaborations in four different collision systems p+Al, p+Au, d+Au and 3He+Au at = 200 GeV, and also for the energy scan in d+Au collisions between = 19.6 - 200 GeV.

Spacecraft Collision Avoidance

NASA Astrophysics Data System (ADS)

Bussy-Virat, Charles

The rapid increase of the number of objects in orbit around the Earth poses a serious threat to operational spacecraft and astronauts. In order to effectively avoid collisions, mission operators need to assess the risk of collision between the satellite and any other object whose orbit is likely to approach its trajectory. Several algorithms predict the probability of collision but have limitations that impair the accuracy of the prediction. An important limitation is that uncertainties in the atmospheric density are usually not taken into account in the propagation of the covariance matrix from current epoch to closest approach time. The Spacecraft Orbital Characterization Kit (SpOCK) was developed to accurately predict the positions and velocities of spacecraft. The central capability of SpOCK is a high accuracy numerical propagator of spacecraft orbits and computations of ancillary parameters. The numerical integration uses a comprehensive modeling of the dynamics of spacecraft in orbit that includes all the perturbing forces that a spacecraft is subject to in orbit. In particular, the atmospheric density is modeled by thermospheric models to allow for an accurate representation of the atmospheric drag. SpOCK predicts the probability of collision between two orbiting objects taking into account the uncertainties in the atmospheric density. Monte Carlo procedures are used to perturb the initial position and velocity of the primary and secondary spacecraft from their covariance matrices. Developed in C, SpOCK supports parallelism to quickly assess the risk of collision so it can be used operationally in real time. The upper atmosphere of the Earth is strongly driven by the solar activity. In particular, abrupt transitions from slow to fast solar wind cause important disturbances of the atmospheric density, hence of the drag acceleration that spacecraft are subject to. The Probability Distribution Function (PDF) model was developed to predict the solar wind speed

Inclusive jet production in ultrarelativistic proton-nucleus collisions

NASA Astrophysics Data System (ADS)

Perepelitsa, Dennis V.

High-pT processes in proton- and deuteron-nucleus collisions at TeV energies are the best presently available way to study the partonic structure of the nucleus in a high-density regime. Jet production over a wide range of phase space can significantly constrain the current knowledge of nuclear parton distribution functions (nPDFs), which are substantially less well understood than the corresponding PDFs in protons and which have only recently begun to be treated in a spatially-dependent way. An accurate knowledge of nPDFs is crucial for a definitive control of perturbative processes in a cold nuclear environment, since high-pT probes are used to quantitatively investigate the hot QCD matter created in ultrarelativistic nucleus-nucleus collisions. Furthermore, jets from low Bjorken-x partons can probe the transition from the dilute to saturated nuclear regimes. Jet production is investigated in d+Au collisions at √s = 200 GeV with the PHENIX detector at the Relativistic Heavy Ion Collider (RHIC), and in p+Pb collisions at √s = 5.02 TeV with the ATLAS detector at the Large Hadron Collider (LHC). The measurements shown here utilize ∫Ldt = 23 nb-1 and 0.2 pb-1 of 200 GeV d+Au and pp data, respectively, recorded in 2007-8 at RHIC and ∫Ldt = 31 nb -1 and 4.1 pb-1 of 5.02 TeV p+Pb and 2.76 TeV pp data, respectively, recorded in 2013 at the LHC. Jets are reconstructed using the sigma=0.3 Gaussian filter and R=0.4, 0.6 anti-kT algorithms. Inclusive, centrality-dependent jet yields within |eta| < 0.35 and 10 GeV < p T < 40 GeV in 200 GeV d+Au and pp collisions are presented. The jet yield in d+Au collisions relative to the geometric expectation is found to be slightly suppressed (≍0.9) in central events and moderately enhanced (≍1.3) in peripheral events, with no modification when averaged over all d+Au events. Separately, inclusive, centrality-dependent jet yields within |y *| < 4.4 and 25 GeV < pT < 800 GeV in 5.02 TeV p+Pb and 2.76 TeV pp collisions are

Experimental Overview of Direct Photon Results in Heavy Ion Collisions

NASA Astrophysics Data System (ADS)

Novitzky, Norbert

2016-07-01

Direct photons are color blind probes and thus they provide unique opportunities to study the colored medium created in heavy ion collisions. There are many different sources of direct photons each probing different physics processes as the system evolves. In basic 2 → 2 processes the prompt photons from primary hard scatterings offer the most precise measurements of the outgoing parton energy in the opposite direction. In heavy ion collisions the created medium emits photons as thermal radiation, whose rate and anisotropies provide a unique prospective on the properties and evolution of the system. Recent results on direct photons from the LHC and RHIC experiments are briefly summarized in this paper.

The Suborbital Particle Aggregation and Collision Experiment (SPACE): studying the collision behavior of submillimeter-sized dust aggregates on the suborbital rocket flight REXUS 12.

PubMed

Brisset, Julie; Heißelmann, Daniel; Kothe, Stefan; Weidling, René; Blum, Jürgen

2013-09-01

The Suborbital Particle Aggregation and Collision Experiment (SPACE) is a novel approach to study the collision properties of submillimeter-sized, highly porous dust aggregates. The experiment was designed, built, and carried out to increase our knowledge about the processes dominating the first phase of planet formation. During this phase, the growth of planetary precursors occurs by agglomeration of micrometer-sized dust grains into aggregates of at least millimeters to centimeters in size. However, the formation of larger bodies from the so-formed building blocks is not yet fully understood. Recent numerical models on dust growth lack a particular support by experimental studies in the size range of submillimeters, because these particles are predicted to collide at very gentle relative velocities of below 1 cm/s that can only be achieved in a reduced-gravity environment. The SPACE experiment investigates the collision behavior of an ensemble of silicate-dust aggregates inside several evacuated glass containers which are being agitated by a shaker to induce the desired collisions at chosen velocities. The dust aggregates are being observed by a high-speed camera, allowing for the determination of the collision properties of the protoplanetary dust analog material. The data obtained from the suborbital flight with the REXUS (Rocket Experiments for University Students) 12 rocket will be directly implemented into a state-of-the-art dust growth and collision model.

Molecular dynamics for dense matter

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Watanabe, Gentaro; Chiba, Satoshi

2012-08-01

We review a molecular dynamics method for nucleon many-body systems called quantum molecular dynamics (QMD), and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to neutron star crusts, supernova cores, and heavy-ion collisions. A key advantage of QMD is that we can study dynamical processes of nucleon many-body systems without any assumptions about the nuclear structure. First, we focus on the inhomogeneous structures of low-density nuclear matter consisting not only of spherical nuclei but also of nuclear "pasta", i.e., rod-like and slab-like nuclei. We show that pasta phases can appear in the ground and equilibrium states of nuclear matter without assuming nuclear shape. Next, we show our simulation of compression of nuclear matter which corresponds to the collapsing stage of supernovae. With the increase in density, a crystalline solid of spherical nuclei changes to a triangular lattice of rods by connecting neighboring nuclei. Finally, we discuss fragment formation in expanding nuclear matter. Our results suggest that a generally accepted scenario based on the liquid-gas phase transition is not plausible at lower temperatures.

In-Line Detection and Measurement of Molecular Contamination in Semiconductor Process Solutions

NASA Astrophysics Data System (ADS)

Wang, Jason; West, Michael; Han, Ye; McDonald, Robert C.; Yang, Wenjing; Ormond, Bob; Saini, Harmesh

2005-09-01

This paper discusses a fully automated metrology tool for detection and quantitative measurement of contamination, including cationic, anionic, metallic, organic, and molecular species present in semiconductor process solutions. The instrument is based on an electrospray ionization time-of-flight mass spectrometer (ESI-TOF/MS) platform. The tool can be used in diagnostic or analytical modes to understand process problems in addition to enabling routine metrology functions. Metrology functions include in-line contamination measurement with near real-time trend analysis. This paper discusses representative organic and molecular contamination measurement results in production process problem solving efforts. The examples include the analysis and identification of organic compounds in SC-1 pre-gate clean solution; urea, NMP (N-Methyl-2-pyrrolidone) and phosphoric acid contamination in UPW; and plasticizer and an organic sulfur-containing compound found in isopropyl alcohol (IPA). It is expected that these unique analytical and metrology capabilities will improve the understanding of the effect of organic and molecular contamination on device performance and yield. This will permit the development of quantitative correlations between contamination levels and process degradation. It is also expected that the ability to perform routine process chemistry metrology will lead to corresponding improvements in manufacturing process control and yield, the ability to avoid excursions and will improve the overall cost effectiveness of the semiconductor manufacturing process.

Ball Collision Experiments

ERIC Educational Resources Information Center

Cross, R.

2015-01-01

Experiments are described on collisions between two billiard balls and between a bat and a ball. The experiments are designed to extend a student's understanding of collision events and could be used either as a classroom demonstration or for a student project.

Target electron ionization in Li2+-Li collisions: A multi-electron perspective

NASA Astrophysics Data System (ADS)

Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

2015-05-01

The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

Water radiolysis by low-energy carbon projectiles from first-principles molecular dynamics

PubMed Central

Kohanoff, Jorge

2017-01-01

Water radiolysis by low-energy carbon projectiles is studied by first-principles molecular dynamics. Carbon projectiles of kinetic energies between 175 eV and 2.8 keV are shot across liquid water. Apart from translational, rotational and vibrational excitation, they produce water dissociation. The most abundant products are H and OH fragments. We find that the maximum spatial production of radiolysis products, not only occurs at low velocities, but also well below the maximum of energy deposition, reaching one H every 5 Å at the lowest speed studied (1 Bohr/fs), dissociative collisions being more significant at low velocity while the amount of energy required to dissociate water is constant and much smaller than the projectile’s energy. A substantial fraction of the energy transferred to fragments, especially for high velocity projectiles, is in the form of kinetic energy, such fragments becoming secondary projectiles themselves. High velocity projectiles give rise to well-defined binary collisions, which should be amenable to binary approximations. This is not the case for lower velocities, where multiple collision events are observed. H secondary projectiles tend to move as radicals at high velocity, as cations when slower. We observe the generation of new species such as hydrogen peroxide and formic acid. The former occurs when an O radical created in the collision process attacks a water molecule at the O site. The latter when the C projectile is completely stopped and reacts with two water molecules. PMID:28267804

Collision recognition and direction changes for small scale fish robots by acceleration sensors

NASA Astrophysics Data System (ADS)

Na, Seung Y.; Shin, Daejung; Kim, Jin Y.; Lee, Bae-Ho

2005-05-01

Typical obstacles are walls, rocks, water plants and other nearby robots for a group of small scale fish robots and submersibles that have been constructed in our lab. Sonar sensors are not employed to make the robot structure simple enough. All of circuits, sensors and processor cards are contained in a box of 9 x 7 x 4 cm dimension except motors, fins and external covers. Therefore, image processing results are applied to avoid collisions. However, it is useful only when the obstacles are located far enough to give images processing time for detecting them. Otherwise, acceleration sensors are used to detect collision immediately after it happens. Two of 2-axes acceleration sensors are employed to measure the three components of collision angles, collision magnitudes, and the angles of robot propulsion. These data are integrated to calculate the amount of propulsion direction change. The angle of a collision incident upon an obstacle is the fundamental value to obtain a direction change needed to design a following path. But there is a significant amount of noise due to a caudal fin motor. Because caudal fin provides the main propulsion for a fish robot, there is a periodic swinging noise at the head of a robot. This noise provides a random acceleration effect on the measured acceleration data at the collision. We propose an algorithm which shows that the MEMS-type accelerometers are very effective to provide information for direction changes in spite of the intrinsic noise after the small scale fish robots have made obstacle collision.

Changes in Drivers’ Visual Performance during the Collision Avoidance Process as a Function of Different Field of Views at Intersections

PubMed Central

Yan, Xuedong; Zhang, Xinran; Zhang, Yuting; Li, Xiaomeng; Yang, Zhuo

2016-01-01

The intersection field of view (IFOV) indicates an extent that the visual information can be observed by drivers. It has been found that further enhancing IFOV can significantly improve emergent collision avoidance performance at intersections, such as faster brake reaction time, smaller deceleration rate, and lower traffic crash involvement risk. However, it is not known how IFOV affects drivers’ eye movements, visual attention and the relationship between visual searching and traffic safety. In this study, a driving simulation experiment was conducted to uncover the changes in drivers’ visual performance during the collision avoidance process as a function of different field of views at an intersection by using an eye tracking system. The experimental results showed that drivers’ ability in identifying the potential hazard in terms of visual searching was significantly affected by different IFOV conditions. As the IFOVs increased, drivers had longer gaze duration (GD) and more number of gazes (NG) in the intersection surrounding areas and paid more visual attention to capture critical visual information on the emerging conflict vehicle, thus leading to a better collision avoidance performance and a lower crash risk. It was also found that female drivers had a better visual performance and a lower crash rate than male drivers. From the perspective of drivers’ visual performance, the results strengthened the evidence that further increasing intersection sight distance standards should be encouraged for enhancing traffic safety. PMID:27716824

On the quantum Landau collision operator and electron collisions in dense plasmas

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

Daligault, Jérôme, E-mail: daligaul@lanl.gov

2016-03-15

The quantum Landau collision operator, which extends the widely used Landau/Fokker-Planck collision operator to include quantum statistical effects, is discussed. The quantum extension can serve as a reference model for including electron collisions in non-equilibrium dense plasmas, in which the quantum nature of electrons cannot be neglected. In this paper, the properties of the Landau collision operator that have been useful in traditional plasma kinetic theory and plasma transport theory are extended to the quantum case. We outline basic properties in connection with the conservation laws, the H-theorem, and the global and local equilibrium distributions. We discuss the Fokker-Planck formmore » of the operator in terms of three potentials that extend the usual two Rosenbluth potentials. We establish practical closed-form expressions for these potentials under local thermal equilibrium conditions in terms of Fermi-Dirac and Bose-Einstein integrals. We study the properties of linearized quantum Landau operator, and extend two popular approximations used in plasma physics to include collisions in kinetic simulations. We apply the quantum Landau operator to the classic test-particle problem to illustrate the physical effects embodied in the quantum extension. We present useful closed-form expressions for the electron-ion momentum and energy transfer rates. Throughout the paper, similarities and differences between the quantum and classical Landau collision operators are emphasized.« less

On the quantum Landau collision operator and electron collisions in dense plasmas

NASA Astrophysics Data System (ADS)

Daligault, Jérôme

2016-03-01

The quantum Landau collision operator, which extends the widely used Landau/Fokker-Planck collision operator to include quantum statistical effects, is discussed. The quantum extension can serve as a reference model for including electron collisions in non-equilibrium dense plasmas, in which the quantum nature of electrons cannot be neglected. In this paper, the properties of the Landau collision operator that have been useful in traditional plasma kinetic theory and plasma transport theory are extended to the quantum case. We outline basic properties in connection with the conservation laws, the H-theorem, and the global and local equilibrium distributions. We discuss the Fokker-Planck form of the operator in terms of three potentials that extend the usual two Rosenbluth potentials. We establish practical closed-form expressions for these potentials under local thermal equilibrium conditions in terms of Fermi-Dirac and Bose-Einstein integrals. We study the properties of linearized quantum Landau operator, and extend two popular approximations used in plasma physics to include collisions in kinetic simulations. We apply the quantum Landau operator to the classic test-particle problem to illustrate the physical effects embodied in the quantum extension. We present useful closed-form expressions for the electron-ion momentum and energy transfer rates. Throughout the paper, similarities and differences between the quantum and classical Landau collision operators are emphasized.

Collision Based Blood Cell Distribution of the Blood Flow

NASA Astrophysics Data System (ADS)

Cinar, Yildirim

2003-11-01

Introduction: The goal of the study is the determination of the energy transferring process between colliding masses and the application of the results to the distribution of the cell, velocity and kinetic energy in arterial blood flow. Methods: Mathematical methods and models were used to explain the collision between two moving systems, and the distribution of linear momentum, rectilinear velocity, and kinetic energy in a collision. Results: According to decrease of mass of the second system, the velocity and momentum of constant mass of the first system are decreased, and linearly decreasing mass of the second system captures a larger amount of the kinetic energy and the rectilinear velocity of the collision system on a logarithmic scale. Discussion: The cause of concentration of blood cells at the center of blood flow an artery is not explained by Bernoulli principle alone but the kinetic energy and velocity distribution due to collision between the big mass of the arterial wall and the small mass of blood cells must be considered as well.

Fuselage mounted anti-collision lights utilizing high power LEDs

NASA Astrophysics Data System (ADS)

Lundberg, John; Machi, Nicolo; Mangum, Scott; Singer, Jeffrey

2005-09-01

As LEDs continue to improve in efficacy and total light output, they are increasingly finding their way in to new applications in the aviation industry as well as adjacent markets. One function that is particularly challenging and may reap substantial benefits from this new technology is the fuselage mounted anti-collision light. Anti-collision lights provide conspicuity for the aircraft by periodically emitting bright flashes of light. The color, light distribution and intensity levels for these lights are all closely regulated through Federal Aviation Regulation (FAR) documents. These lighting requirements, along with thermal, environmental and aerodynamic requirements, drive the overall design. In this paper, we will discuss the existing technologies used in anti-collision lights and the advantages and challenges associated with an LED solution. Particular attention will be given to the optical, thermal, electrical and aerodynamic aspects associated with an LED approach. A specific case study will be presented along with some of the challenges that have arisen during the design process. These challenges include the addition of an integrated covert anti-collision lighting.

Theoretical molecular studies of astrophysical interest

NASA Technical Reports Server (NTRS)

Flynn, George

1991-01-01

When work under this grant began in 1974 there was a great need for state-to-state collisional excitation rates for interstellar molecules observed by radio astronomers. These were required to interpret observed line intensities in terms of local temperatures and densities, but, owing to lack of experimental or theoretical values, estimates then being used for this purpose ranged over several orders of magnitude. A problem of particular interest was collisional excitation of formaldehyde; Townes and Cheung had suggested that the relative size of different state-to-state rates (propensity rules) was responsible for the anomalous absorption observed for this species. We believed that numerical molecular scattering techniques (in particular the close coupling or coupled channel method) could be used to obtain accurate results, and that these would be computationally feasible since only a few molecular rotational levels are populated at the low temperatures thought to prevail in the observed regions. Such calculations also require detailed knowledge of the intermolecular forces, but we thought that those could also be obtained with sufficient accuracy by theoretical (quantum chemical) techniques. Others, notably Roy Gordon at Harvard, had made progress in solving the molecular scattering equations, generally using semi-empirical intermolecular potentials. Work done under this grant generalized Gordon's scattering code, and introduced the use of theoretical interaction potentials obtained by solving the molecular Schroedinger equation. Earlier work had considered only the excitation of a diatomic molecule by collisions with an atom, and we extended the formalism to include excitation of more general molecular rotors (e.g., H2CO, NH2, and H2O) and also collisions of two rotors (e.g., H2-H2).

Optical observation of metal jet generated by high speed inclined collision

NASA Astrophysics Data System (ADS)

Mori, A.; Tanaka, S.; Hokamoto, K.

2017-02-01

Explosive welding, one of the high energy rate material processing, is known the technique to weld strongly for the dissimilar metal combinations. When a metal is collided to the other metal at high velocity with a certain angle, good welding is achieved in this technique. Important parameters of the explosive welding method are the collision velocity and the collision angle. And it is necessary to know these parameters to obtain the explosively welded materials of several metals combinations. However, the optical observation for the collision of metal plate accelerated by the explosive is difficult because of the obstruction by the spreading of detonation gas. In the present work a single-stage powder gun and high speed video camera were used to observe the inclined collision of metals at the high velocity. Projectile consisted by a metal disc and sabot was accelerated by the deflagration of a gunpowder and was collided to another metal disc set with a certain angle. Metal jet was generated at the collision point when the projectile was collided to the target disc in the range of suitable conditions. By using this observation system, a series of the flow from the high speed collision to the generation of metal jet could be taken photographs clearly. This investigation shows the experimental results of the similar and dissimilar metal collision, with comparing the visualization of a metal jet simulated numerically.

Collinear collision chemistry. II. Energy disposition in reactive collisions

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

Mahan, B.H.

1974-06-01

A model describing the mechanics of collinear atom-diatom collisions and previously reported by the author is extended to describe reactive collisions. The model indicates the effects of such factors as the mass distribution and potential energy barriers and wells on the reaction probability and on the distribution of energy among the modes of motion of the products. Simple geometry and trigonometry are sufficient to solve the model.

Understanding Molecular-Ion Neutral Atom Collisions for the Production of Ultracold Molecular Ions

DTIC Science & Technology

2014-02-03

SECURITY CLASSIFICATION OF: This project was superseded and replaced by another ARO-funded project of the same name, which is still continuing. The goal...cooled atoms," IOTA -COST Workshop on molecular ions, Arosa, Switzerland. 5. E.R. Hudson, "Sympathetic cooling of molecules with laser cooled

Humic Substances: Determining Potential Molecular Regulatory Processes in Plants

PubMed Central

Shah, Zahid Hussain; Rehman, Hafiz M.; Akhtar, Tasneem; Alsamadany, Hameed; Hamooh, Bahget T.; Mujtaba, Tahir; Daur, Ihsanullah; Al Zahrani, Yahya; Alzahrani, Hind A. S.; Ali, Shawkat; Yang, Seung H.; Chung, Gyuhwa

2018-01-01

Humic substances (HSs) have considerable effects on soil fertility and crop productivity owing to their unique physiochemical and biochemical properties, and play a vital role in establishing biotic and abiotic interactions within the plant rhizosphere. A comprehensive understanding of the mode of action and tissue distribution of HS is, however, required, as this knowledge could be useful for devising advanced rhizospheric management practices. These substances trigger various molecular processes in plant cells, and can strengthen the plant’s tolerance to various kinds of abiotic stresses. HS manifest their effects in cells through genetic, post-transcriptional, and post-translational modifications of signaling entities that trigger different molecular, biochemical, and physiological processes. Understanding of such fundamental mechanisms will provide a better perspective for defining the cues and signaling crosstalk of HS that mediate various metabolic and hormonal networks operating in plant systems. Various regulatory activities and distribution strategies of HS have been discussed in this review. PMID:29593751

Energy behavior on side structure in event of ship collision subjected to external parameters.

PubMed

Prabowo, Aditya Rio; Bae, Dong Myung; Sohn, Jung Min; Cao, Bo

2016-11-01

The safety of ships in regards to collisions and groundings, as well as the navigational and structural aspects of ships, has been improved and developed up to this day by technical, administrative and nautical parties. The damage resulting from collisions could be reduced through several techniques such as designing appropriate hull structures, ensuring tightness of cargo tanks as well as observation and review on structural behaviors, whilst accounting for all involved parameters. The position during a collision can be influenced by the collisions' location and angle as these parts are included in the external dynamics of ship collisions. In this paper, the results of several collision analyses using the finite element method were used and reviewed regarding the effect of location and angle on energy characteristic. Firstly, the capabilities of the structure and its ability to resist destruction in a collision process were presented and comparisons were made to other collision cases. Three types of collisions were identified based on the relative location of contact points to each other. From the results, it was found that the estimation of internal energy by the damaged ships differed in range from 12%-24%. In the second stage, the results showed that a collision between 30 to 60 degrees produced higher level energy than a collision in the perpendicular position. Furthermore, it was concluded that striking and struck objects in collision contributed to energy and damage shape.

Modeling collision energy transfer in APCI/CID mass spectra of PAHs using thermal-like post-collision internal energy distributions

NASA Astrophysics Data System (ADS)

Solano, Eduardo A.; Mohamed, Sabria; Mayer, Paul M.

2016-10-01

The internal energy transferred when projectile molecular ions of naphthalene collide with argon gas atoms was extracted from the APCI-CID (atmospheric-pressure chemical ionization collision-induced dissociation) mass spectra acquired as a function of collision energy. Ion abundances were calculated by microcanonical integration of the differential rate equations using the Rice-Ramsperger-Kassel-Marcus rate constants derived from a UB3LYP/6-311G+(3df,2p)//UB3LYP/6-31G(d) fragmentation mechanism and thermal-like vibrational energy distributions p M (" separators=" E , T char ) . The mean vibrational energy excess of the ions was characterized by the parameter Tchar ("characteristic temperature"), determined by fitting the theoretical ion abundances to the experimental breakdown graph (a plot of relative abundances of the ions as a function of kinetic energy) of activated naphthalene ions. According to these results, the APCI ion source produces species below Tchar = 1457 K, corresponding to 3.26 eV above the vibrational ground state. Subsequent collisions heat the ions up further, giving rise to a sigmoid curve of Tchar as a function of Ecom (center-of-mass-frame kinetic energy). The differential internal energy absorption per kinetic energy unit (dEvib/dEcom) changes with Ecom according to a symmetric bell-shaped function with a maximum at 6.38 ± 0.32 eV (corresponding to 6.51 ± 0.27 eV of vibrational energy excess), and a half-height full width of 6.30 ± 1.15 eV. This function imposes restrictions on the amount of energy that can be transferred by collisions, such that a maximum is reached as kinetic energy is increased. This behavior suggests that the collisional energy transfer exhibits a pronounced increase around some specific value of energy. Finally, the model is tested against the CID mass spectra of anthracene and pyrene ions and the corresponding results are discussed.

Modeling collision energy transfer in APCI/CID mass spectra of PAHs using thermal-like post-collision internal energy distributions.

PubMed

Solano, Eduardo A; Mohamed, Sabria; Mayer, Paul M

2016-10-28

The internal energy transferred when projectile molecular ions of naphthalene collide with argon gas atoms was extracted from the APCI-CID (atmospheric-pressure chemical ionization collision-induced dissociation) mass spectra acquired as a function of collision energy. Ion abundances were calculated by microcanonical integration of the differential rate equations using the Rice-Ramsperger-Kassel-Marcus rate constants derived from a UB3LYP/6-311G+(3df,2p)//UB3LYP/6-31G(d) fragmentation mechanism and thermal-like vibrational energy distributions p M E,T char . The mean vibrational energy excess of the ions was characterized by the parameter T char ("characteristic temperature"), determined by fitting the theoretical ion abundances to the experimental breakdown graph (a plot of relative abundances of the ions as a function of kinetic energy) of activated naphthalene ions. According to these results, the APCI ion source produces species below T char = 1457 K, corresponding to 3.26 eV above the vibrational ground state. Subsequent collisions heat the ions up further, giving rise to a sigmoid curve of T char as a function of E com (center-of-mass-frame kinetic energy). The differential internal energy absorption per kinetic energy unit (dE vib /dE com ) changes with E com according to a symmetric bell-shaped function with a maximum at 6.38 ± 0.32 eV (corresponding to 6.51 ± 0.27 eV of vibrational energy excess), and a half-height full width of 6.30 ± 1.15 eV. This function imposes restrictions on the amount of energy that can be transferred by collisions, such that a maximum is reached as kinetic energy is increased. This behavior suggests that the collisional energy transfer exhibits a pronounced increase around some specific value of energy. Finally, the model is tested against the CID mass spectra of anthracene and pyrene ions and the corresponding results are discussed.

γ-radiation of excited nuclear discrete levels in peripheral heavy ion collisions

NASA Astrophysics Data System (ADS)

Korotkikh, V. L.; Chikin, K. A.

A new process of a nuclear excitation to discrete states in peripheral heavy ion collisions is studied. High-energy photons are emitted by the exited nuclei with energies up to a few tens of GeV at angles of a few hundred microradians with respect to the beam direction. We show that a two-stage process, where an electron-positron pair is produced by virtual photons emitted by nuclei and then the electron or positron excites the nucleus, has a large cross-section. It is equal to about 5 b for CaCa collisions. On the one hand, it produces a significant γ-rays background in the nuclear fragmentation region but, on the other hand, it could be used for monitoring the nuclear beam intensity at the LHC. These secondary nuclear photons could be a good signal for triggering peripheral nuclear collisions.

The Formation of Cluster Populations Through Direct Galaxy Collisions

NASA Astrophysics Data System (ADS)

Peterson, Bradley W.; Smith, Beverly J.; Struck, Curtis

2016-01-01

Much progress has been made on the question of how globular clusters form. In particular, the study of extragalactic populations of young, high-mass clusters ("super star clusters") has revealed a class of objects can evolve into globular clusters. The process by which these clusters form, and how many survive long enough to become globular clusters, is not wholly understood. Here, we use new data on the colliding galaxy system Arp 261 to investigate the possibility that young, massive clusters form in greater numbers during direct galaxy collisions, compared to less direct tidal collisions.

A method of inferring collision ratio based on maneuverability of own ship under critical collision conditions

NASA Astrophysics Data System (ADS)

You, Youngjun; Rhee, Key-Pyo; Ahn, Kyoungsoo

2013-06-01

In constructing a collision avoidance system, it is important to determine the time for starting collision avoidance maneuver. Many researchers have attempted to formulate various indices by applying a range of techniques. Among these indices, collision risk obtained by combining Distance to the Closest Point of Approach (DCPA) and Time to the Closest Point of Approach (TCPA) information with fuzzy theory is mostly used. However, the collision risk has a limit, in that membership functions of DCPA and TCPA are empirically determined. In addition, the collision risk is not able to consider several critical collision conditions where the target ship fails to take appropriate actions. It is therefore necessary to design a new concept based on logical approaches. In this paper, a collision ratio is proposed, which is the expected ratio of unavoidable paths to total paths under suitably characterized operation conditions. Total paths are determined by considering categories such as action space and methodology of avoidance. The International Regulations for Preventing Collisions at Sea (1972) and collision avoidance rules (2001) are considered to solve the slower ship's dilemma. Different methods which are based on a constant speed model and simulated speed model are used to calculate the relative positions between own ship and target ship. In the simulated speed model, fuzzy control is applied to determination of command rudder angle. At various encounter situations, the time histories of the collision ratio based on the simulated speed model are compared with those based on the constant speed model.

Collision and Break-off : Numerical models and surface observables

NASA Astrophysics Data System (ADS)

Bottrill, Andrew; van Hunen, Jeroen; Allen, Mark

2013-04-01

The process of continental collision and slab break-off has been explored by many authors using a number of different numerical models and approaches (Andrews and Billen, 2009; Gerya et al., 2004; van Hunen and Allen, 2011). One of the challenges of using numerical models to explore collision and break-off is relating model predictions to real observables from current collision zones. Part of the reason for this is that collision zones by their nature destroy a lot of potentially useful surface evidence of deep dynamics. One observable that offers the possibility for recording mantle dynamics at collision zones is topography. Here we present topography predictions from numerical models and show how these can be related to actual topography changes recoded in the sedimentary record. Both 2D and 3D numerical simulation of the closure of a small oceanic basin are presented (Bottrill et al., 2012; van Hunen and Allen, 2011). Topography is calculated from the normal stress at the surface applied to an elastic beam, to give a more realist prediction of topography by accounting for the expected elasticity of the lithosphere. Predicted model topography showed a number of interesting features on the overriding plate. The first is the formation of a basin post collision at around 300km from the suture. Our models also showed uplift postdating collision between the suture and this basin, caused by subduction of buoyant material. Once break-off has occurred we found that this uplift moved further into the overriding plate due to redistribution of stresses from the subducted plate. With our 3D numerical models we simulate a collision that propagates laterally along a subduction system. These models show that a basin forms, similar to that found in our 2D models, which propagates along the system at the same rate as collision. The apparent link between collision and basin formation leads to the investigation into the stress state in the overriding lithosphere. Preliminary

Autoionization following nanoplasma formation in atomic and molecular clusters

NASA Astrophysics Data System (ADS)

Schütte, Bernd; Lahl, Jan; Oelze, Tim; Krikunova, Maria; Vrakking, Marc J. J.; Rouzée, Arnaud

2016-05-01

Nanoplasmas resulting from the ionization of nano-scale particles by intense laser pulses are typically described by quasiclassical models, where electron emission is understood to take place via thermal processes. Recently, we discovered that, following the interaction of intense near-infrared (NIR) laser pulses with molecular oxygen clusters, electron emission from nanoplasmas can also occur from atomic bound states via autoionization [Schütte et al., Phys. Rev. Lett. 114, 123002 (2015)]. Here we extend these studies and demonstrate that the formation and decay of doubly-excited atoms and ions is a very common phenomenon in nanoplasmas. We report on the observation of autoionization involving spin-orbit excited states in molecular oxygen and carbon dioxide clusters as well as in atomic krypton and xenon clusters ionized by intense NIR pulses, for which we find clear bound-state signatures in the electron kinetic energy spectra. By applying terahertz (THz) streaking, we show that the observed autoionization processes take place on a picosecond to nanosecond timescale after the interaction of the NIR laser pulse with the clusters. Contribution to the Topical Issue "Atomic Cluster Collisions (7th International Symposium)", edited by Gerardo Delgado Barrio, Andrey Solov'Yov, Pablo Villarreal, Rita Prosmiti.

Simulation studies of self-organization of microtubules and molecular motors.

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

Jian, Z.; Karpeev, D.; Aranson, I. S.

We perform Monte Carlo type simulation studies of self-organization of microtubules interacting with molecular motors. We model microtubules as stiff polar rods of equal length exhibiting anisotropic diffusion in the plane. The molecular motors are implicitly introduced by specifying certain probabilistic collision rules resulting in realignment of the rods. This approximation of the complicated microtubule-motor interaction by a simple instant collision allows us to bypass the 'computational bottlenecks' associated with the details of the diffusion and the dynamics of motors and the reorientation of microtubules. Consequently, we are able to perform simulations of large ensembles of microtubules and motors onmore » a very large time scale. This simple model reproduces all important phenomenology observed in in vitro experiments: Formation of vortices for low motor density and raylike asters and bundles for higher motor density.« less

Multinucleon transfer in central collisions of 238U+238U

NASA Astrophysics Data System (ADS)

Ayik, S.; Yilmaz, B.; Yilmaz, O.; Umar, A. S.; Turan, G.

2017-08-01

Quantal diffusion mechanism of nucleon exchange is studied in the central collisions of 238U+238U in the framework of the stochastic mean-field (SMF) approach. For bombarding energies considered in this work, the dinuclear structure is maintained during the collision. Hence, it is possible to describe nucleon exchange as a diffusion process for mass and charge asymmetry. Quantal neutron and proton diffusion coefficients, including memory effects, are extracted from the SMF approach and the primary fragment distributions are calculated.

Influence of quantum diffraction and shielding on electron-ion collision in two-component semiclassical plasmas

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

Hong, Woo-Pyo; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 426-791

2015-01-15

The influence of quantum diffraction and shielding on the electron-ion collision process is investigated in two-component semiclassical plasmas. The eikonal method and micropotential taking into account the quantum diffraction and shielding are used to obtain the eikonal scattering phase shift and the eikonal collision cross section as functions of the collision energy, density parameter, Debye length, electron de Broglie wavelength, and the impact parameter. The result shows that the quantum diffraction and shielding effects suppress the eikonal scattering phase shift as well as the differential eikonal collision cross section, especially, in small-impact parameter regions. It is also shown that themore » quantum shielding effect on the eikonal collision cross section is more important in low-collision energies. In addition, it is found that the eikonal collision cross section increases with an increase in the density parameter. The variations of the eikonal cross section due to the quantum diffraction and shielding effects are also discussed.« less

The dynamical evolution of transiting planetary systems including a realistic collision prescription

NASA Astrophysics Data System (ADS)

Mustill, Alexander J.; Davies, Melvyn B.; Johansen, Anders

2018-05-01

Planet-planet collisions are a common outcome of instability in systems of transiting planets close to the star, as well as occurring during in-situ formation of such planets from embryos. Previous N-body studies of instability amongst transiting planets have assumed that collisions result in perfect merging. Here, we explore the effects of implementing a more realistic collision prescription on the outcomes of instability and in-situ formation at orbital radii of a few tenths of an au. There is a strong effect on the outcome of the growth of planetary embryos, so long as the debris thrown off in collisions is rapidly removed from the system (which happens by collisional processing to dust, and then removal by radiation forces) and embryos are small (<0.1 M⊕). If this is the case, then systems form fewer detectable (≥1 M⊕) planets than systems evolved under the assumption of perfect merging in collisions. This provides some contribution to the "Kepler Dichotomy": the observed over-abundance of single-planet systems. The effects of changing the collision prescription on unstable mature systems of super-Earths are less pronounced. Perfect mergers only account for a minority of collision outcomes in such systems, but most collisions resulting in mass loss are grazing impacts in which only a few per cent. of mass is lost. As a result, there is little impact on the final masses and multiplicities of the systems after instability when compared to systems evolved under the assumption that collisions always result in perfect merging.

Protein Molecular Structures, Protein SubFractions, and Protein Availability Affected by Heat Processing: A Review

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

Yu,P.

2007-01-01

The utilization and availability of protein depended on the types of protein and their specific susceptibility to enzymatic hydrolysis (inhibitory activities) in the gastrointestine and was highly associated with protein molecular structures. Studying internal protein structure and protein subfraction profiles leaded to an understanding of the components that make up a whole protein. An understanding of the molecular structure of the whole protein was often vital to understanding its digestive behavior and nutritive value in animals. In this review, recently obtained information on protein molecular structural effects of heat processing was reviewed, in relation to protein characteristics affecting digestive behaviormore » and nutrient utilization and availability. The emphasis of this review was on (1) using the newly advanced synchrotron technology (S-FTIR) as a novel approach to reveal protein molecular chemistry affected by heat processing within intact plant tissues; (2) revealing the effects of heat processing on the profile changes of protein subfractions associated with digestive behaviors and kinetics manipulated by heat processing; (3) prediction of the changes of protein availability and supply after heat processing, using the advanced DVE/OEB and NRC-2001 models, and (4) obtaining information on optimal processing conditions of protein as intestinal protein source to achieve target values for potential high net absorbable protein in the small intestine. The information described in this article may give better insight in the mechanisms involved and the intrinsic protein molecular structural changes occurring upon processing.« less

Ion collision-induced chemistry in pure and mixed loosely bound clusters of coronene and C60 molecules.

PubMed

Domaracka, Alicja; Delaunay, Rudy; Mika, Arkadiusz; Gatchell, Michael; Zettergren, Henning; Cederquist, Henrik; Rousseau, Patrick; Huber, Bernd A

2018-05-23

Ionization, fragmentation and molecular growth have been studied in collisions of 22.5 keV He2+- or 3 keV Ar+-projectiles with pure loosely bound clusters of coronene (C24H12) molecules or with loosely bound mixed C60-C24H12 clusters by using mass spectrometry. The heavier and slower Ar+ projectiles induce prompt knockout-fragmentation - C- and/or H-losses - from individual molecules and highly efficient secondary molecular growth reactions before the clusters disintegrate on picosecond timescales. The lighter and faster He2+ projectiles have a higher charge and the main reactions are then ionization by ions that are not penetrating the clusters. This leads mostly to cluster fragmentation without molecular growth. However, here penetrating collisions may also lead to molecular growth but to a much smaller extent than with 3 keV Ar+. Here we present fragmentation and molecular growth mass distributions with 1 mass unit resolution, which reveals that the same numbers of C- and H-atoms often participate in the formation and breaking of covalent bonds inside the clusters. We find that masses close to those with integer numbers of intact coronene molecules, or with integer numbers of both intact coronene and C60 molecules, are formed where often one or several H-atoms are missing or have been added on. We also find that super-hydrogenated coronene is formed inside the clusters.

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

NASA Astrophysics Data System (ADS)

Zutz, Amelia Marie

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

Numerical Simulation of Droplet Breakup and Collision in the Solution Precursor Plasma Spraying

NASA Astrophysics Data System (ADS)

Shan, Y.; Coyle, T. W.; Mostaghimi, J.

2007-12-01

Finely structured ceramic coatings can be obtained by solution precursor plasma spraying. The final structure of the coating highly depends on the droplet size and velocity distribution at the injection, the evolution of the spray in the jet, and droplet breakup and collision within the spray. This article describes a 3D model to simulate the transport phenomena and the trajectory and heating of the solution spray in the process. O’Rourke’s droplet collision model is used to take into account the influence of droplet collision. The influence of droplet breakup is also considered by implementing TAB droplet breakup models into the plasma jet model. The effects of droplet collisions and breakup on the droplet size, velocity, and temperature distribution of the solution spray are investigated. The results indicate that droplet breakup and collision play an important role in determining the final particle size and velocity distributions on the substrate.

Molecular Clock of Neutral Mutations in a Fitness-Increasing Evolutionary Process

PubMed Central

Iijima, Leo; Suzuki, Shingo; Hashimoto, Tomomi; Oyake, Ayana; Kobayashi, Hisaka; Someya, Yuki; Narisawa, Dai; Yomo, Tetsuya

2015-01-01

The molecular clock of neutral mutations, which represents linear mutation fixation over generations, is theoretically explained by genetic drift in fitness-steady evolution or hitchhiking in adaptive evolution. The present study is the first experimental demonstration for the molecular clock of neutral mutations in a fitness-increasing evolutionary process. The dynamics of genome mutation fixation in the thermal adaptive evolution of Escherichia coli were evaluated in a prolonged evolution experiment in duplicated lineages. The cells from the continuously fitness-increasing evolutionary process were subjected to genome sequencing and analyzed at both the population and single-colony levels. Although the dynamics of genome mutation fixation were complicated by the combination of the stochastic appearance of adaptive mutations and clonal interference, the mutation fixation in the population was simply linear over generations. Each genome in the population accumulated 1.6 synonymous and 3.1 non-synonymous neutral mutations, on average, by the spontaneous mutation accumulation rate, while only a single genome in the population occasionally acquired an adaptive mutation. The neutral mutations that preexisted on the single genome hitchhiked on the domination of the adaptive mutation. The successive fixation processes of the 128 mutations demonstrated that hitchhiking and not genetic drift were responsible for the coincidence of the spontaneous mutation accumulation rate in the genome with the fixation rate of neutral mutations in the population. The molecular clock of neutral mutations to the fitness-increasing evolution suggests that the numerous neutral mutations observed in molecular phylogenetic trees may not always have been fixed in fitness-steady evolution but in adaptive evolution. PMID:26177190

Molecular Clock of Neutral Mutations in a Fitness-Increasing Evolutionary Process.

PubMed

Kishimoto, Toshihiko; Ying, Bei-Wen; Tsuru, Saburo; Iijima, Leo; Suzuki, Shingo; Hashimoto, Tomomi; Oyake, Ayana; Kobayashi, Hisaka; Someya, Yuki; Narisawa, Dai; Yomo, Tetsuya

2015-07-01

The molecular clock of neutral mutations, which represents linear mutation fixation over generations, is theoretically explained by genetic drift in fitness-steady evolution or hitchhiking in adaptive evolution. The present study is the first experimental demonstration for the molecular clock of neutral mutations in a fitness-increasing evolutionary process. The dynamics of genome mutation fixation in the thermal adaptive evolution of Escherichia coli were evaluated in a prolonged evolution experiment in duplicated lineages. The cells from the continuously fitness-increasing evolutionary process were subjected to genome sequencing and analyzed at both the population and single-colony levels. Although the dynamics of genome mutation fixation were complicated by the combination of the stochastic appearance of adaptive mutations and clonal interference, the mutation fixation in the population was simply linear over generations. Each genome in the population accumulated 1.6 synonymous and 3.1 non-synonymous neutral mutations, on average, by the spontaneous mutation accumulation rate, while only a single genome in the population occasionally acquired an adaptive mutation. The neutral mutations that preexisted on the single genome hitchhiked on the domination of the adaptive mutation. The successive fixation processes of the 128 mutations demonstrated that hitchhiking and not genetic drift were responsible for the coincidence of the spontaneous mutation accumulation rate in the genome with the fixation rate of neutral mutations in the population. The molecular clock of neutral mutations to the fitness-increasing evolution suggests that the numerous neutral mutations observed in molecular phylogenetic trees may not always have been fixed in fitness-steady evolution but in adaptive evolution.

Application to processing system using intra-molecular BRET

NASA Astrophysics Data System (ADS)

Otsuji, Tomomi; Okuda-Ashitaka, Emiko; Kojima, Satoshi; Akiyama, Hidehumi; Ito, Seiji; Ohmiya, Yoshihiro

2003-07-01

Luciferases are used as the reporter gene for promoter activity, whereas a green fluorescent protein (GFP) is used as marker for cellular function and localization. Recently, bioluminescence resonance energy transfer (BRET) between luciferase and YFP is used for analysis of inter-molecular reaction such as ligand-receptor in the living cells. The neuropeptides nocistatin (NST) and nociceptin/orphanin FQ (Noc/OFQ) are derived from the same precursor protein, while NST exhibits antagonism against Noc/OFQ-actions. In this study, we attempt an intra-molecular BRET system for monitoring dynamic biological process of the production of NST and Noc/OFQ in the living cells. At first, we constructed a fusion protein (Rluc-GFP) covalently linking luciferase (Renilla luciferase; Rluc) to Aequorea GFP as an intra-molecular BRET partner. Furthermore, we inserted constructs of mouse NST and Noc/OFQ (Rluc-m-GFP) or bovine NST and Noc/OFQ (Rluc-b-GFP) containing a proteolytic cleavage motif (Lys-Arg) within Rluc-GFP. When these constructions were transfected into Cos7 cells, all fusion proteins had luciferase activity and specific fluorescence. Luminescence spectra of Rluc-GFP, Rluc-m-GFP and Rluc-b-GFP fusion proteins with DeepBlueC as a substrate showed two peaks centered at 400 nm and 510 nm, whereas Rluc showed one peak centered at 400 nm. These results indicate that the proteolytic cleavage motif inserted fusion proteins between luciferase and GFP are available for intra-molecular BRET systems at first step.

Idaho traffic collisions, 2004

DOT National Transportation Integrated Search

2004-01-01

Idaho Traffic Collisions 2004 provides an annual description of motor vehicle collision characteristics for Idaho. : This document is used by state and local transportation, law enforcement, health, and other agencies charged with : the responsibilit...

Idaho traffic collisions, 2006

DOT National Transportation Integrated Search

2006-01-01

Idaho Traffic Collisions 2006 provides an annual description of motor vehicle collision characteristics for Idaho. : This document is used by state and local transportation, law enforcement, health, and other agencies charged with : the responsibilit...

Idaho traffic collisions, 2002

DOT National Transportation Integrated Search

2002-01-01

Idaho Traffic Collisions 2002 provides an annual description of motor vehicle collision characteristics for : Idaho. This document is used by state and local transportation, law enforcement, health, and other agencies : charged with the responsibilit...

Idaho traffic collisions, 2003

DOT National Transportation Integrated Search

2003-01-01

Idaho Traffic Collisions 2003 provides an annual description of motor vehicle collision characteristics for Idaho. : This document is used by state and local transportation, law enforcement, health, and other agencies charged with : the responsibilit...

Multiple-vehicle collision induced by a sudden stop in traffic flow

NASA Astrophysics Data System (ADS)

Sugiyama, Naoki; Nagatani, Takashi

2012-04-01

We study the dynamic process of the multiple-vehicle collision when a vehicle stops suddenly in a traffic flow. We apply the optimal-velocity model to the vehicular motion. If a vehicle does not decelerate successfully, it crashes into the vehicle ahead with a residual speed. The collision criterion is presented by vi(t)/Δxi(t)→∞ if Δxi(t)→0 where vi(t) and Δxi(t) are the speed and headway of vehicle i at time t. The number of crumpled vehicles depends on the initial velocity, the sensitivity, and the initial headway. We derive the region map (or phase diagram) for the multiple-vehicle collision.

Quenching of internally 'hot' H2 and N2 gases by collisions with ultracold electrons: a computational 'experiment'

NASA Astrophysics Data System (ADS)

Gianturco, F. A.

2008-11-01

Quantum mechanical methods are employed to obtain superelastic cross sections involving H2 and N2 molecules, in excited rotational states, colliding with electrons at the very low collision energies which are encountered in cold trap experiments. This computational analysis intends to explore the feasibility of cold electrons for the collisional quenching of molecular gases down to the nanokelvin regimes. The results are obtained using rigorous coupled-channel (CC) calculations in the laboratory frame of reference which allows one to correctly describe the cross section behaviour at ultralow energies. The results are analysed down to the ultracold region of validity of Wigner's law, where it is found that electron-driven collisions exhibit substantial efficiency for the quenching of rotational populations in molecular gases involving the title systems. This work is affectionately dedicated to Anna Giardini, a creative experimentalist and a long-time friend, on the occasion of her 'official' retirement.

Molecular processes in astrophysics: Calculations of hydrogen + hydrogen gas excitation, de-excitation, and cooling

NASA Astrophysics Data System (ADS)

Kelley, Matthew Thomas

The implications of H+H2 cooling in astrophysics is important to several applications. One of the most significant and pure applications is its role in cooling in the early universe. Other applications would include molecular dynamics in nebulae and their collapse into stars and astrophysical shocks. Shortly after the big bang, the universe was a hot primordial gas of photons, electrons, and nuclei among other ingredients. By far the most dominant nuclei in the early universe was hydrogen. In fact, in the early universe the matter density was 90 percent hydrogen and only 10 percent helium with small amounts of lithium and deuterium. In order for structure to form in the universe, this primordial gas must form atoms and cool. One of the significant cooling mechanisms is the collision of neutral atomic hydrogen with a neutral diatomic hydrogen molecule. This work performs calculations to determine collisional cooling rates of hydrogen using two potential surfaces.

Idaho traffic collisions, 2000

DOT National Transportation Integrated Search

2000-01-01

Idaho Traffic Collisions 2000 provides an annual description of collision characteristics for Idaho. This : document is used by state and local transportation, law enforcement, health, and other agencies charged with : the responsibility of coping wi...

Idaho traffic collisions, 2005

DOT National Transportation Integrated Search

2005-01-01

Idaho Traffic Collisions 2005 provides an annual description of motor vehicle collision characteristics for Idaho. This document is used by state and local transportation, law enforcement, health, and other agencies charged with the responsibility of...

Molecular dynamics simulations of the structure evolutions of Cu-Zr metallic glasses under irradiation

NASA Astrophysics Data System (ADS)

Lang, Lin; Tian, Zean; Xiao, Shifang; Deng, Huiqiu; Ao, Bingyun; Chen, Piheng; Hu, Wangyu

2017-02-01

Molecular dynamics simulations have been performed to investigate the structural evolution of Cu64.5Zr35.5 metallic glasses under irradiation. The largest standard cluster analysis (LSCA) method was used to quantify the microstructure within the collision cascade regions. It is found that the majority of clusters within the collision cascade regions are full and defective icosahedrons. Not only the smaller structures (common neighbor subcluster) but also primary clusters greatly changed during the collision cascades; while most of these radiation damages self-recover quickly in the following quench states. These findings indicate the Cu-Zr metallic glasses have excellent irradiation-resistance properties.

Reactive multi-particle collision dynamics with reactive boundary conditions

NASA Astrophysics Data System (ADS)

Sayyidmousavi, Alireza; Rohlf, Katrin

2018-07-01

In the present study, an off-lattice particle-based method called the reactive multi-particle collision (RMPC) dynamics is extended to model reaction-diffusion systems with reactive boundary conditions in which the a priori diffusion coefficient of the particles needs to be maintained throughout the simulation. To this end, the authors have made use of the so-called bath particles whose purpose is only to ensure proper diffusion of the main particles in the system. In order to model partial adsorption by a reactive boundary in the RMPC, the probability of a particle being adsorbed, once it hits the boundary, is calculated by drawing an analogy between the RMPC and Brownian Dynamics. The main advantages of the RMPC compared to other molecular based methods are less computational cost as well as conservation of mass, energy and momentum in the collision and free streaming steps. The proposed approach is tested on three reaction-diffusion systems and very good agreement with the solutions to their corresponding partial differential equations is observed.

Statistical analysis of dimer formation in supersaturated metal vapor based on molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Korenchenko, Anna E.; Vorontsov, Alexander G.; Gelchinski, Boris R.; Sannikov, Grigorii P.

2018-04-01

We discuss the problem of dimer formation during the homogeneous nucleation of atomic metal vapor in an inert gas environment. We simulated nucleation with molecular dynamics and carried out the statistical analysis of double- and triple-atomic collisions as the two ways of long-lived diatomic complex formation. Close pair of atoms with lifetime greater than the mean time interval between atom-atom collisions is called a long-lived diatomic complex. We found that double- and triple-atomic collisions gave approximately the same probabilities of long-lived diatomic complex formation, but internal energy of the resulted state was essentially lower in the second case. Some diatomic complexes formed in three-particle collisions are stable enough to be a critical nucleus.

Negative collision energy dependence of Br formation in the OH + HBr reaction.

PubMed

Che, Dock-Chil; Matsuo, Takashi; Yano, Yuya; Bonnet, Laurent; Kasai, Toshio

2008-03-14

The reaction between HBr and OH leading to H(2)O and Br in its ground state is studied by means of a crossed molecular beam experiment for a collision energy varying from 0.05 to 0.26 eV, the initial OH being selected in the state |JOmega> = |3/2 3/2> by an electrostatic hexapole field. The reaction cross-section is found to decrease with increasing collision energy. This negative dependence suggests that there is no barrier on the potential energy surface for the formation pathway considered. The experimental results are compared with the previously reported quantum scattering calculations of Clary et al. (D. C. Clary, G. Nyman and R. Hernandez, J. Phys. Chem., 1994, 101, 3704), and briefly discussed in the light of skewed potential energy surfaces associated with heavy-light-heavy type reactions.

Idaho traffic collisions, 2001

DOT National Transportation Integrated Search

2001-01-01

Idaho Traffic Collisions 2001 provides an annual description of collision characteristics for Idaho. This document is used by state and local transportation, law enforcement, health, and other agencies charged with the responsibility of coping with t...

Earth Observing System (EOS) Aqua and Aura Space Weather Effects on Operational Collision Avoidance

NASA Technical Reports Server (NTRS)

Guit, Bill

2017-01-01

This presentation will describe recent EOS Aqua and Aura operational collision avoidance experience during periods of solar and geomagnetic storm activity. It will highlight challenges faced by the operations team during short-notice, high-risk predicted close approaches. The presentation will highlight the evolution of the operational collision avoidance process for the EOS Aqua and Aura missions. The presentation will highlight operational challenges that have occurred, process improvements that have been implemented and identify potential future challenges.

Computer simulations and experimental study on crash box of automobile in low speed collision

NASA Astrophysics Data System (ADS)

Liu, Yanjie; Ding, Lin; Yan, Shengyuan; Yang, Yongsheng

2008-11-01

Based on the problems of energy-absorbing components in the automobile low speed collision process, according to crash box frontal crash test in low speed as the example, the simulation analysis of crash box impact process was carried out by Hyper Mesh and LS-DYNA. Each parameter on the influence modeling was analyzed by mathematics analytical solution and test comparison, which guaranteed that the model was accurate. Combination of experiment and simulation result had determined the weakness part of crash box structure crashworthiness aspect, and improvement method of crash box crashworthiness was discussed. Through numerical simulation of the impact process of automobile crash box, the obtained analysis result was used to optimize the design of crash box. It was helpful to improve the vehicles structure and decrease the collision accident loss at most. And it was also provided a useful method for the further research on the automobile collision.

Atomic and molecular data for spacecraft re-entry plasmas

NASA Astrophysics Data System (ADS)

Celiberto, R.; Armenise, I.; Cacciatore, M.; Capitelli, M.; Esposito, F.; Gamallo, P.; Janev, R. K.; Laganà, A.; Laporta, V.; Laricchiuta, A.; Lombardi, A.; Rutigliano, M.; Sayós, R.; Tennyson, J.; Wadehra, J. M.

2016-06-01

The modeling of atmospheric gas, interacting with the space vehicles in re-entry conditions in planetary exploration missions, requires a large set of scattering data for all those elementary processes occurring in the system. A fundamental aspect of re-entry problems is represented by the strong non-equilibrium conditions met in the atmospheric plasma close to the surface of the thermal shield, where numerous interconnected relaxation processes determine the evolution of the gaseous system towards equilibrium conditions. A central role is played by the vibrational exchanges of energy, so that collisional processes involving vibrationally excited molecules assume a particular importance. In the present paper, theoretical calculations of complete sets of vibrationally state-resolved cross sections and rate coefficients are reviewed, focusing on the relevant classes of collisional processes: resonant and non-resonant electron-impact excitation of molecules, atom-diatom and molecule-molecule collisions as well as gas-surface interaction. In particular, collisional processes involving atomic and molecular species, relevant to Earth (N2, O2, NO), Mars (CO2, CO, N2) and Jupiter (H2, He) atmospheres are considered.

MO-FG-CAMPUS-TeP1-03: Pre-Treatment Surface Imaging Based Collision Detection

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

Wiant, D; Maurer, J; Liu, H

2016-06-15

Purpose: Modern radiotherapy increasingly employs large immobilization devices, gantry attachments, and couch rotations for treatments. All of which raise the risk of collisions between the patient and the gantry / couch. Collision detection is often achieved by manually checking each couch position in the treatment room and sometimes results in extraneous imaging if collisions are detected after image based setup has begun. In the interest of improving efficiency and avoiding extra imaging, we explore the use of a surface imaging based collision detection model. Methods: Surfaces acquired from AlignRT (VisionRT, London, UK) were transferred in wavefront format to a custommore » Matlab (Mathworks, Natick, MA) software package (CCHECK). Computed tomography (CT) scans acquired at the same time were sent to CCHECK in DICOM format. In CCHECK, binary maps of the surfaces were created and overlaid on the CT images based on the fixed relationship of the AlignRT and CT coordinate systems. Isocenters were added through a graphical user interface (GUI). CCHECK then compares the inputted surfaces to a model of the linear accelerator (linac) to check for collisions at defined gantry and couch positions. Note, CCHECK may be used with or without a CT. Results: The nominal surface image field of view is 650 mm × 900 mm, with variance based on patient position and size. The accuracy of collision detections is primarily based on the linac model and the surface mapping process. The current linac model and mapping process yield detection accuracies on the order of 5 mm, assuming no change in patient posture between surface acquisition and treatment. Conclusions: CCHECK provides a non-ionizing method to check for collisions without the patient in the treatment room. Collision detection accuracy may be improved with more robust linac modeling. Additional gantry attachments (e.g. conical collimators) can be easily added to the model.« less

Translational Entanglement and Teleportation of Matter Wavepackets by Collisions and Half-Collisions

NASA Astrophysics Data System (ADS)

Fisch, L.; Tal, A.; Kurizki, G.

To date, the translationally-entangled state originally proposed by Einstein, Podolsky and Rosen (EPR) in 1935 has not been experimentally realized for massive particles. Opatrný and Kurizki [Phys. Rev. Lett. 86, 3180 (2000)] have suggested the creation of a position- and momentum-correlated, i.e., translationally-entangled, pair of particles approximating the EPR state by dissociation of cold diatomic molecules, and further manipulation of the EPR pair effecting matter-wave teleportation. Here we aim at setting the principles of and quantifying translational entanglement by collisions and half-collisions. In collisions, the resonance width s and the initial phase-space distributions are shown to determine the degree of post-collisional momentum entanglement. Half-collisions (dissociation) are shown to yield different types of approximate EPR states. We analyse a feasible realization of translational EPR entanglement and teleportation via cold-molecule Raman dissociation and subsequent collisions, resolving both practical and conceptual difficulties it has faced so far: How to avoid entanglement loss due to the wavepacket spreading of the dissociation fragments? How to measure both position and momentum correlations of the dissociation fragments with sufficient accuracy to verify their EPR correlations? How to reliably perform two-particle (Bell) position and momentum measurements on one of the fragments and the wavepacket to be teleported?

Coordinate space translation technique for simulation of electronic process in the ion-atom collision.

PubMed

Wang, Feng; Hong, Xuhai; Wang, Jian; Kim, Kwang S

2011-04-21

Recently we developed a theoretical model of ion-atom collisions, which was made on the basis of a time-dependent density functional theory description of the electron dynamics and a classical treatment of the heavy particle motion. Taking advantage of the real-space grid method, we introduce a "coordinate space translation" technique to allow one to focus on a certain space of interest such as the region around the projectile or the target. Benchmark calculations are given for collisions between proton and oxygen over a wide range of impact energy. To extract the probability of charge transfer, the formulation of Lüdde and Dreizler [J. Phys. B 16, 3973 (1983)] has been generalized to ensemble-averaging application in the particular case of O((3)P). Charge transfer total cross sections are calculated, showing fairly good agreements between experimental data and present theoretical results.

Heavy truck casualty collisions, 2001-2005

DOT National Transportation Integrated Search

2010-04-01

This document reviews casualty collisions (fatalities and injuries) involving heavy trucks in Canada : from 2001 to 2005. Collisions involving heavy trucks include all vehicles in these collisions, such as : passenger cars, light trucks and vans, hea...

A comparison of methods for evaluating structure during ship collisions

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

Ammerman, D.J.; Daidola, J.C.

1996-10-01

A comparison is provided of the results of various methods for evaluating structure during a ship-to-ship collision. The baseline vessel utilized in the analyses is a 67.4 meter in length displacement hull struck by an identical vessel traveling at speeds ranging from 10 to 30 knots. The structural response of the struck vessel and motion of both the struck and striking vessels are assessed by finite element analysis. These same results are then compared to predictions utilizing the {open_quotes}Tanker Structural Analysis for Minor Collisions{close_quotes} (TSAMC) Method, the Minorsky Method, the Haywood Collision Process, and comparison to full-scale tests. Consideration ismore » given to the nature of structural deformation, absorbed energy, penetration, rigid body motion, and virtual mass affecting the hydrodynamic response. Insights are provided with regard to the calibration of the finite element model which was achievable through utilizing the more empirical analyses and the extent to which the finite element analysis is able to simulate the entire collision event. 7 refs., 8 figs., 4 tabs.« less

Molecular modeling of the microstructure evolution during carbon fiber processing

NASA Astrophysics Data System (ADS)

Desai, Saaketh; Li, Chunyu; Shen, Tongtong; Strachan, Alejandro

2017-12-01

The rational design of carbon fibers with desired properties requires quantitative relationships between the processing conditions, microstructure, and resulting properties. We developed a molecular model that combines kinetic Monte Carlo and molecular dynamics techniques to predict the microstructure evolution during the processes of carbonization and graphitization of polyacrylonitrile (PAN)-based carbon fibers. The model accurately predicts the cross-sectional microstructure of the fibers with the molecular structure of the stabilized PAN fibers and physics-based chemical reaction rates as the only inputs. The resulting structures exhibit key features observed in electron microcopy studies such as curved graphitic sheets and hairpin structures. In addition, computed X-ray diffraction patterns are in good agreement with experiments. We predict the transverse moduli of the resulting fibers between 1 GPa and 5 GPa, in good agreement with experimental results for high modulus fibers and slightly lower than those of high-strength fibers. The transverse modulus is governed by sliding between graphitic sheets, and the relatively low value for the predicted microstructures can be attributed to their perfect longitudinal texture. Finally, the simulations provide insight into the relationships between chemical kinetics and the final microstructure; we observe that high reaction rates result in porous structures with lower moduli.

Magnetic Monopole Mass Bounds from Heavy-Ion Collisions and Neutron Stars

NASA Astrophysics Data System (ADS)

Gould, Oliver; Rajantie, Arttu

2017-12-01

Magnetic monopoles, if they exist, would be produced amply in strong magnetic fields and high temperatures via the thermal Schwinger process. Such circumstances arise in heavy-ion collisions and in neutron stars, both of which imply lower bounds on the mass of possible magnetic monopoles. In showing this, we construct the cross section for pair production of magnetic monopoles in heavy-ion collisions, which indicates that they are particularly promising for experimental searches such as MoEDAL.

Non-Evaporative Cooling Using Spin-Exchange Collision in an Optical Trap

DTIC Science & Technology

2009-02-03

transit time of the atoms across the optical trap should damp the atoms’ motion significantly. These processes are described in detail in Ref. [ 18]. The...potentials. Finally, since the optical trap was very shallow compared to a MOT, any light-assisted collision that resulted in almost any net acceleration...EXCHANGE COLLISION IN AN OPTICAL TRAP 5a. CONTRACT NUMBER FA9550-06-1-0190 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S

Natural language processing and visualization in the molecular imaging domain.

PubMed

Tulipano, P Karina; Tao, Ying; Millar, William S; Zanzonico, Pat; Kolbert, Katherine; Xu, Hua; Yu, Hong; Chen, Lifeng; Lussier, Yves A; Friedman, Carol

2007-06-01

Molecular imaging is at the crossroads of genomic sciences and medical imaging. Information within the molecular imaging literature could be used to link to genomic and imaging information resources and to organize and index images in a way that is potentially useful to researchers. A number of natural language processing (NLP) systems are available to automatically extract information from genomic literature. One existing NLP system, known as BioMedLEE, automatically extracts biological information consisting of biomolecular substances and phenotypic data. This paper focuses on the adaptation, evaluation, and application of BioMedLEE to the molecular imaging domain. In order to adapt BioMedLEE for this domain, we extend an existing molecular imaging terminology and incorporate it into BioMedLEE. BioMedLEE's performance is assessed with a formal evaluation study. The system's performance, measured as recall and precision, is 0.74 (95% CI: [.70-.76]) and 0.70 (95% CI [.63-.76]), respectively. We adapt a JAVA viewer known as PGviewer for the simultaneous visualization of images with NLP extracted information.

Accelerating Molecular Dynamic Simulation on Graphics Processing Units

PubMed Central

Friedrichs, Mark S.; Eastman, Peter; Vaidyanathan, Vishal; Houston, Mike; Legrand, Scott; Beberg, Adam L.; Ensign, Daniel L.; Bruns, Christopher M.; Pande, Vijay S.

2009-01-01

We describe a complete implementation of all-atom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimizations needed to fully take advantage of a GPU. We evaluate its performance, and show that it can be more than 700 times faster than a conventional implementation running on a single CPU core. PMID:19191337

Molecular dynamics simulation of a needle-sphere binary mixture

NASA Astrophysics Data System (ADS)

Raghavan, Karthik

This paper investigates the dynamic behaviour of a hard needle-sphere binary system using a novel numerical technique called the Newton homotopy continuation (NHC) method. This mixture is representative of a polymer melt where both long chain molecules and monomers coexist. Since the intermolecular forces are generated from hard body interactions, the consequence of missed collisions or incorrect collision sequences have a significant bearing on the dynamic properties of the fluid. To overcome this problem, in earlier work NHC was chosen over traditional Newton-Raphson methods to solve the hard body dynamics of a needle fluid in random media composed of overlapping spheres. Furthermore, the simplicity of interactions and dynamics allows us to focus our research directly on the effects of particle shape and density on the transport behaviour of the mixture. These studies are also compared with earlier works that examined molecular chains in porous media primarily to understand the differences in molecular transport in the bulk versus porous systems.

Gyrokinetics with Advanced Collision Operators

NASA Astrophysics Data System (ADS)

Belli, E. A.; Candy, J.

2014-10-01

For gyrokinetic studies in the pedestal region, collisions are expected to play a more critical role than in the core and there is concern that more advanced collision operators, as well as numerical methods optimized for the strong collisionality regime, are needed. For this purpose, a new gyrokinetic solver CGYRO has been developed for precise studies of high collisionality regimes. Building on GYRO and NEO, CGYRO uses the NEO pitch angle and energy velocity-space coordinate system to optimize the accuracy of the collision dynamics, particularly for multi-species collisions and including energy diffusion. With implementation of the reduced Hirshman-Sigmar collision operator with full cross-species coupling, CGYRO recovers linear ITG growth rates and the collisional GAM test at moderate collision frequency. Methods to improve the behavior in the collisionless regime, particularly for the trapped/passing particle boundary physics for kinetic electrons, are studied. Extensions to advanced model operators with finite-k⊥ corrections, e.g., the Sugama operator, and the impact of high collisionality on linear gyrokinetic stability in the edge are explored. Work supported by the US DOE under DE-FG02-95ER54309.

Nanodust released in interplanetary collisions

NASA Astrophysics Data System (ADS)

Lai, H. R.; Russell, C. T.

2018-07-01

The lifecycle of near-Earth objects (NEOs) involves a collisional cascade that produces ever smaller debris ending with nanoscale particles which are removed from the solar system by radiation pressure and electromagnetic effects. It has been proposed that the nanodust clouds released in collisions perturb the background interplanetary magnetic field and create the interplanetary field enhancements (IFEs). Assuming that this IFE formation scenario is actually operating, we calculate the interplanetary collision rate, estimate the total debris mass carried by nanodust, and compare the collision rate with the IFE rate. We find that to release the same amount of nanodust, the collision rate is comparable to the observed IFE rate. Besides quantitatively testing the association between the collisions evolving large objects and giant solar wind structures, such a study can be extended to ranges of smaller scales and to investigate the source of moderate and small solar wind perturbations.

Strategy to improve the quantitative LC-MS analysis of molecular ions resistant to gas-phase collision induced dissociation: application to disulfide-rich cyclic peptides.

PubMed

Ciccimaro, Eugene; Ranasinghe, Asoka; D'Arienzo, Celia; Xu, Carrie; Onorato, Joelle; Drexler, Dieter M; Josephs, Jonathan L; Poss, Michael; Olah, Timothy

2014-12-02

Due to observed collision induced dissociation (CID) fragmentation inefficiency, developing sensitive liquid chromatography tandem mass spectrometry (LC-MS/MS) assays for CID resistant compounds is especially challenging. As an alternative to traditional LC-MS/MS, we present here a methodology that preserves the intact analyte ion for quantification by selectively filtering ions while reducing chemical noise. Utilizing a quadrupole-Orbitrap MS, the target ion is selectively isolated while interfering matrix components undergo MS/MS fragmentation by CID, allowing noise-free detection of the analyte's surviving molecular ion. In this manner, CID affords additional selectivity during high resolution accurate mass analysis by elimination of isobaric interferences, a fundamentally different concept than the traditional approach of monitoring a target analyte's unique fragment following CID. This survivor-selected ion monitoring (survivor-SIM) approach has allowed sensitive and specific detection of disulfide-rich cyclic peptides extracted from plasma.

Energy transfer dynamics and kinetics of elementary processes (promoted) by gas-phase CO2 -N2 collisions: Selectivity control by the anisotropy of the interaction.

PubMed

Lombardi, Andrea; Pirani, Fernando; Laganà, Antonio; Bartolomei, Massimiliano

2016-06-15

In this work, we exploit a new formulation of the potential energy and of the related computational procedures, which embodies the coupling between the intra and intermolecular components, to characterize possible propensities of the collision dynamics in energy transfer processes of interest for simulation and control of phenomena occurring in a variety of equilibrium and nonequilibrium environments. The investigation reported in the paper focuses on the prototype CO2 -N2 system, whose intramolecular component of the interaction is modeled in terms of a many body expansion while the intermolecular component is modeled in terms of a recently developed bonds-as-interacting-molecular-centers' approach. The main advantage of this formulation of the potential energy surface is that of being (a) truly full dimensional (i.e., all the variations of the coordinates associated with the molecular vibrations and rotations on the geometrical and electronic structure of the monomers, are explicitly taken into account without freezing any bonds or angles), (b) more flexible than other usual formulations of the interaction and (c) well suited for fitting procedures better adhering to accurate ab initio data and sensitive to experimental arrangement dependent information. Specific attention has been given to the fact that a variation of vibrational and rotational energy has a higher (both qualitative and quantitative) impact on the energy transfer when a more accurate formulation of the intermolecular interaction (with respect to that obtained when using rigid monomers) is adopted. This makes the potential energy surface better suited for the kinetic modeling of gaseous mixtures in plasma, combustion and atmospheric chemistry computational applications. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

A zero-gravity demonstration of the collision and coalescence of water droplets

NASA Technical Reports Server (NTRS)

Hung, R. J.; Vaughan, O. H.; Smith, R. E.

1974-01-01

The mechanics of the collision and coalescence of liquid droplets is one of the main research areas in the fields of nuclear physics, astrophysics, meteorology and fluid mechanics. The crew members on the Skylab 3 and 4 missions were requested to perform demonstrations of the collision and coalescence of water droplets under the low gravity environment at orbital altitude. In Skylab 4 two water droplets with equal volumes, 30 cu cm each, were used. A dark colored droplet (contaminated with grape drink) moving with a velocity of 3.14 cm/sec collided with a stationary pink colored droplet (contaminated with strawberry drink) and coalescence occurred. Theoretical models are proposed to study the various stages of the collision-coalescence processes. Special considerations are concentrated in the investigation of the bounce-coalescence and coalescence-instability processes. The surface tension of the coalesced droplets was calculated to be 52 dynes/cm in perfect agreement with laboratory measurements made after the flight using a reproduction of the liquids.

2002 Alaska traffic collisions

DOT National Transportation Integrated Search

2004-09-01

Traffic collisions injured 6370 and killed 89 Alaskans during 2002. There were, on average, : 36.5 crashes per day and 1.5 crashes per hour. One person died on Alaska highways every : 4.1 days. : There were 272 traffic collisions per 100 million ...

Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands.

PubMed

Barboiu, Mihail; Stadler, Adrian-Mihail; Lehn, Jean-Marie

2016-03-18

General design principles have been developed for the control of the structural features of polyheterocyclic strands and their effector-modulated shape changes. Induced defined molecular motions permit designed enforcement of helical as well as linear molecular shapes. The ability of such molecular strands to bind metal cations allows the generation of coiling/uncoiling processes between helically folded and extended linear states. Large molecular motions are produced on coordination of metal ions, which may be made reversible by competition with an ancillary complexing agent and fueled by sequential acid/base neutralization energy. The introduction of hydrazone units into the strands confers upon them constitutional dynamics, whereby interconversion between different strand compositions is achieved through component exchange. These features have relevance for nanomechanical devices. We present a morphological and functional analysis of such systems developed in our laboratories. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Collision attack against Tav-128 hash function

NASA Astrophysics Data System (ADS)

Hariyanto, Fajar; Hayat Susanti, Bety

2017-10-01

Tav-128 is a hash function which is designed for Radio Frequency Identification (RFID) authentication protocol. Tav-128 is expected to be a cryptographically secure hash function which meets collision resistance properties. In this research, a collision attack is done to prove whether Tav-128 is a collision resistant hash function. The results show that collisions can be obtained in Tav-128 hash function which means in other word, Tav-128 is not a collision resistant hash function.

Charge Transport Processes in Molecular Junctions

NASA Astrophysics Data System (ADS)

Smith, Christopher Eugene

Molecular electronics (ME) has evolved into a rich area of exploration that combines the fields of chemistry, materials, electronic engineering and computational modeling to explore the physics behind electronic conduction at the molecular level. Through studying charge transport properties of single molecules and nanoscale molecular materials the field has gained the potential to bring about new avenues for the miniaturization of electrical components where quantum phenomena are utilized to achieve solid state molecular device functionality. Molecular junctions are platforms that enable these studies and consist of a single molecule or a small group of molecules directly connected to electrodes. The work presented in this thesis has built upon the current understanding of the mechanisms of charge transport in ordered junctions using self-assembled monolayer (SAM) molecular thin films. Donor and acceptor compounds were synthesized and incorporated into SAMs grown on metal substrates then the transport properties were measured with conducting probe atomic force microscopy (CP-AFM). In addition to experimentally measured current-voltage (I-V) curves, the transport properties were addressed computationally and modeled theoretically. The key objectives of this project were to 1) investigate the impact of molecular structure on hole and electron charge transport, 2) understand the nature of the charge carriers and their structure-transport properties through long (<4 nm) conjugated molecular wires, and 3) quantitatively extract interfacial properties characteristic to macroscopic junctions, such as energy level alignment and molecule-contact electronic coupling from experimental I-V curves. Here, we lay ground work for creating a more complete picture of charge transport in macroscopically ordered molecular junctions of controlled architecture, length and charge carrier. The polaronic nature of hopping transport has been predicted in long, conjugated molecular wires

Collisions in Compact Star Clusters.

NASA Astrophysics Data System (ADS)

Portegies Zwart, S. F.

The high stellar densities in young compact star clusters, such as the star cluster R136 in the 30 Doradus region, may lead to a large number of stellar collisions. Such collisions were recently found to be much more frequent than previous estimates. The number of collisions scales with the number of stars for clusters with the same initial relaxation time. These collisions take place in a few million years. The collision products may finally collapse into massive black holes. The fraction of the total mass in the star cluster which ends up in a single massive object scales with the total mass of the cluster and its relaxation time. This mass fraction is rather constant, within a factor two or so. Wild extrapolation from the relatively small masses of the studied systems to the cores of galactic nuclei may indicate that the massive black holes in these systems have formed in a similar way.

The role of secondary processes in kinetics of triplet states of a hydrogen molecule in an ECR discharge

NASA Astrophysics Data System (ADS)

Shakhatov, V. A.; Lebedev, Yu A.; Lacoste, A.; Bechu, S.

2017-11-01

An electronic state sensitive semiempirical collision-radiative model of hydrogen plasma of ECR-discharge is used to analyze the applicability of emission of triplet states of molecular hydrogen for plasma diagnostics. It is shown that secondary processes make the greatest contribution to the kinetics of population-depopulation of triplet states {a}3{{Σ }}}g+,{c}3{{{\\Pi }}}u,{d}3{{{\\Pi }}}u,{e}3{{{Σ }}}u+,{g}3{{{Σ }}}g+,{h}3{{{Σ }}}g+, i 3Πg and r 3Πg. The secondary processes give the smallest contribution to the excitation and deactivation of triplet states {f}3{{{Σ }}}u+ {\\unicode{x00438;} {k}3{{{\\Pi }}}u. Thus a simplified coronal model (electron impact excitation followed by radiative decay) can be used to process the intensities of the dipole allowed {f}3{{{Σ }}}u+ \\to {a}3{{{Σ }}}g+,{g}3{{{Σ }}}g+ and {k}3{{{\\Pi }}}u \\to {a}3{{{Σ }}}g+ transitions. The complicated collision-radiative model should be used for other transitions.

Non-Parametric Collision Probability for Low-Velocity Encounters

NASA Technical Reports Server (NTRS)

Carpenter, J. Russell

2007-01-01

An implicit, but not necessarily obvious, assumption in all of the current techniques for assessing satellite collision probability is that the relative position uncertainty is perfectly correlated in time. If there is any mis-modeling of the dynamics in the propagation of the relative position error covariance matrix, time-wise de-correlation of the uncertainty will increase the probability of collision over a given time interval. The paper gives some examples that illustrate this point. This paper argues that, for the present, Monte Carlo analysis is the best available tool for handling low-velocity encounters, and suggests some techniques for addressing the issues just described. One proposal is for the use of a non-parametric technique that is widely used in actuarial and medical studies. The other suggestion is that accurate process noise models be used in the Monte Carlo trials to which the non-parametric estimate is applied. A further contribution of this paper is a description of how the time-wise decorrelation of uncertainty increases the probability of collision.

Geometric Triangular Chiral Hexagon Crystal-Like Complexes Organization in Pathological Tissues Biological Collision Order

PubMed Central

Díaz, Jairo A.; Jaramillo, Natalia A.; Murillo, Mauricio F.

2007-01-01

The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC) in human pathological tissues.The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further interdisciplinary studies must

Features of Extrusion Processing of Ultrahigh Molecular Weight Polyethylene. Experiment and Theory

NASA Astrophysics Data System (ADS)

Skul‧skii, O. I.; Slavnov, E. V.

2018-05-01

Experimental studies have been made of the permissible regimes of processing ultrahigh molecular weight polyethylene GUR 2122 with molecular mass of 4.5 million g/moles in a laboratory extruder with an auger diameter 32 mm and a ratio L/D = 20 at temperatures of 155-165oC. On the basis of rotational viscometry, the rheological properties of the melt are described. A mathematical model and a numerical method for calculating the motion of ultrahigh molecular weight polyethylene melt in the auger and in the moulding rigging are proposed. The velocity and stress fields have been determined.

Increased Rail Transit Vehicle Crashworthiness in Head-On Collisions. Volume II. Primary Collision.

DOT National Transportation Integrated Search

1980-06-01

A specific goal of safety is to reduce the number of injuries that may result from the collision of two trains. In Volume II, an analytical model in two dimensions, longitudinal and vertical, of the primary collision of two impacting urban railcar co...

Impact fracture experiments simulating interstellar grain-grain collisions

NASA Technical Reports Server (NTRS)

Freund, Friedemann; Chang, Sherwood; Dickinson, J. Thomas

1990-01-01

Oxide and silicate grains condensing during the early phases of the formation of the solar system or in the outflow of stars are exposed to high partial pressures of the low-z elements H, C, N and O and their simple gaseous compounds. Though refractory minerals are nominally anhydrous and non-carbonate, if they crystallize in the presence of H2O, N2 and CO or CO2 gases, they dissolve traces of the gaseous components. The question arises: How does the presence of dissolved gases or gas components manifest itself when grain-grain collisions occur. What are the gases emitted when grains are shattered during a collision event. Researchers report on fracture experiments in ultrahigh vacuum (UHV, approximately less than 10 to the -8th power mbar) designed to measure (by means of a quadrupole mass spectrometer, QMS, with microns to ms time resolution) the emission of gases and vapors during and after impact (up to 1.5 sec). Two terrestrial materials were chosen which represent structural and compositional extremes: olivine (San Carlos, AZ), a densely packed Mg-Fe(2+) silicate from the upper mantle, available as 6 to 12 mm single crystals, and obsidian (Oregon), a structurally open, alkaline-SiO2-rich volcanic glass. In the olivine crystals OH- groups have been identified spectroscopically, as well as H2 molecules. Obsidian is a water-rich glass containing OH- besides H2O molecules. Olivine from the mantle often contains CO2, either as CO2-rich fluid in fluid inclusions or structurally dissolved or both. By analogy to synthetic glasses CO2 in the obsidian may be present in form of CO2 molecules in voids of molecular dimensions, or as carbonate anions, CO3(2-). No organic molecules have been detected spectroscopically in either material. Results indicate that refractory oxide/silicates which contain dissolved traces of the H2O and CO/CO2 components but no spectroscopically detectable traces of organics may release complex H-C-O (possibly H-C-N-O) molecules upon fracture

Lesser prairie-chicken fence collision risk across its northern distribution

USGS Publications Warehouse

Robinson, Samantha G.; Haukos, David A.; Plumb, Reid T.; Hagen, Christian A.; Pitman, James C.; Lautenbach, Joseph M.; Sullins, Daniel S.; Kraft, John D.; Lautenbach, Jonathan D.

2016-01-01

Livestock fences have been hypothesized to significantly contribute to mortality of lesser prairie-chickens (Tympanuchus pallidicinctus); however, quantification of mortality due to fence collisions is lacking across their current distribution. Variation in fence density, landscape composition and configuration, and land use could influence collision risk of lesser prairie-chickens. We monitored fences within 3 km of known leks during spring and fall and surveyed for signs of collision occurrence within 20 m of fences in 6 study sites in Kansas and Colorado, USA during 2013 and 2014. We assessed mortality locations of radio-tagged birds (n = 286) for evidence of fence collisions and compared distance to fence relative to random points. Additionally, we quantified locations, propensity, and frequency of fences crossed by lesser prairie-chickens. We tested for landscape and vegetative characteristics that influenced fence-cross propensity and frequency of global positioning system (GPS)-marked birds. A minimum of 12,706 fence crossings occurred by GPS-marked lesser prairie-chickens. We found 3 carcasses and 12 additional possible instances of evidence of collision during >2,800 km of surveyed fences. We found evidence for a single suspected collision based on carcass evidence for 148 mortalities of transmittered birds. Mortality locations of transmittered birds were located at distances from fences 15% farther than expected at random. Our data suggested minimal biological significance and indicated that propensity and frequency of fence crossings were random processes. Lesser prairie-chickens do not appear to be experiencing significant mortality risk due to fence collisions in Kansas and Colorado. Focusing resources on other limiting factors (i.e., habitat quality) has greater potential for impact on population demography than fence marking and removal.

Centrality categorization for Rp (d)+A in high-energy collisions

NASA Astrophysics Data System (ADS)

Adare, A.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Al-Bataineh, H.; Alexander, J.; Angerami, A.; Aoki, K.; Apadula, N.; Aramaki, Y.; Atomssa, E. T.; Averbeck, R.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Baksay, G.; Baksay, L.; Barish, K. N.; Bassalleck, B.; Basye, A. T.; Bathe, S.; Baublis, V.; Baumann, C.; Bazilevsky, A.; Belikov, S.; Belmont, R.; Bennett, R.; Bhom, J. H.; Blau, D. S.; Bok, J. S.; Boyle, K.; Brooks, M. L.; Buesching, H.; Bumazhnov, V.; Bunce, G.; Butsyk, S.; Campbell, S.; Caringi, A.; Chen, C.-H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chung, P.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Conesa Del Valle, Z.; Connors, M.; Csanád, M.; Csörgő, T.; Dahms, T.; Dairaku, S.; Danchev, I.; Das, K.; Datta, A.; David, G.; Dayananda, M. K.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Dharmawardane, K. V.; Dietzsch, O.; Dion, A.; Donadelli, M.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; Dutta, D.; D'Orazio, L.; Edwards, S.; Efremenko, Y. V.; Ellinghaus, F.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Fadem, B.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Fraenkel, Z.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fujiwara, K.; Fukao, Y.; Fusayasu, T.; Garishvili, I.; Glenn, A.; Gong, H.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grim, G.; Grosse Perdekamp, M.; Gunji, T.; Gustafsson, H.-Å.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Hamblen, J.; Han, R.; Hanks, J.; Haslum, E.; Hayano, R.; He, X.; Heffner, M.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hohlmann, M.; Holzmann, W.; Homma, K.; Hong, B.; Horaguchi, T.; Hornback, D.; Huang, S.; Ichihara, T.; Ichimiya, R.; Ikeda, Y.; Imai, K.; Inaba, M.; Isenhower, D.; Ishihara, M.; Issah, M.; Ivanischev, D.; Iwanaga, Y.; Jacak, B. V.; Jia, J.; Jiang, X.; Jin, J.; Johnson, B. M.; Jones, T.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kajihara, F.; Kamin, J.; Kang, J. H.; Kapustinsky, J.; Karatsu, K.; Kasai, M.; Kawall, D.; Kawashima, M.; Kazantsev, A. V.; Kempel, T.; Khanzadeev, A.; Kijima, K. M.; Kikuchi, J.; Kim, A.; Kim, B. I.; Kim, D. J.; Kim, E.-J.; Kim, Y.-J.; Kinney, E.; Kiss, Á.; Kistenev, E.; Kleinjan, D.; Kochenda, L.; Komkov, B.; Konno, M.; Koster, J.; Král, A.; Kravitz, A.; Kunde, G. J.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, D. M.; Lee, J.; Lee, K. B.; Lee, K. S.; Leitch, M. J.; Leite, M. A. L.; Li, X.; Lichtenwalner, P.; Liebing, P.; Linden Levy, L. A.; Liška, T.; Liu, H.; Liu, M. X.; Love, B.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Malik, M. D.; Manko, V. I.; Mannel, E.; Mao, Y.; Masui, H.; Matathias, F.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; Means, N.; Meredith, B.; Miake, Y.; Mibe, T.; Mignerey, A. C.; Miki, K.; Milov, A.; Mitchell, J. T.; Mohanty, A. K.; Moon, H. J.; Morino, Y.; Morreale, A.; Morrison, D. P.; Moukhanova, T. V.; Murakami, T.; Murata, J.; Nagamiya, S.; Nagle, J. L.; Naglis, M.; Nagy, M. I.; Nakagawa, I.; Nakamiya, Y.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Nam, S.; Newby, J.; Nguyen, M.; Nihashi, M.; Nouicer, R.; Nyanin, A. S.; Oakley, C.; O'Brien, E.; Oda, S. X.; Ogilvie, C. A.; Oka, M.; Okada, K.; Onuki, Y.; Orjuela Koop, J. D.; Oskarsson, A.; Ouchida, M.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, I. H.; Park, S. K.; Park, W. J.; Pate, S. F.; Pei, H.; Peng, J.-C.; Pereira, H.; Perepelitsa, D.; Peressounko, D. Yu.; Petti, R.; Pinkenburg, C.; Pisani, R. P.; Proissl, M.; Purschke, M. L.; Qu, H.; Rak, J.; Ravinovich, I.; Read, K. F.; Rembeczki, S.; Reygers, K.; Riabov, V.; Riabov, Y.; Richardson, E.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Rosen, C. A.; Rosendahl, S. S. E.; Ružička, P.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sakashita, K.; Samsonov, V.; Sano, S.; Sato, T.; Sawada, S.; Sedgwick, K.; Seele, J.; Seidl, R.; Seto, R.; Sharma, D.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Silvestre, C.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Slunečka, M.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Sourikova, I. V.; Stankus, P. W.; Stenlund, E.; Stoll, S. P.; Sugitate, T.; Sukhanov, A.; Sziklai, J.; Takagui, E. M.; Taketani, A.; Tanabe, R.; Tanaka, Y.; Taneja, S.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Themann, H.; Thomas, D.; Thomas, T. L.; Togawa, M.; Toia, A.; Tomášek, L.; Torii, H.; Towell, R. S.; Tserruya, I.; Tsuchimoto, Y.; Vale, C.; Valle, H.; van Hecke, H. W.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Virius, M.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Wei, F.; Wei, R.; Wessels, J.; White, S. N.; Winter, D.; Woody, C. L.; Wright, R. M.; Wysocki, M.; Yamaguchi, Y. L.; Yamaura, K.; Yang, R.; Yanovich, A.; Ying, J.; Yokkaichi, S.; You, Z.; Young, G. R.; Younus, I.; Yushmanov, I. E.; Zajc, W. A.; Zhou, S.; Phenix Collaboration

2014-09-01

High-energy proton- and deuteron-nucleus collisions provide an excellent tool for studying a wide array of physics effects, including modifications of parton distribution functions in nuclei, gluon saturation, and color neutralization and hadronization in a nuclear environment, among others. All of these effects are expected to have a significant dependence on the size of the nuclear target and the impact parameter of the collision, also known as the collision centrality. In this article, we detail a method for determining centrality classes in p (d)+A collisions via cuts on the multiplicity at backward rapidity (i.e., the nucleus-going direction) and for determining systematic uncertainties in this procedure. For d +Au collisions at √sNN =200 GeV we find that the connection to geometry is confirmed by measuring the fraction of events in which a neutron from the deuteron does not interact with the nucleus. As an application, we consider the nuclear modification factors Rp (d)+A, for which there is a bias in the measured centrality-dependent yields owing to auto correlations between the process of interest and the backward-rapidity multiplicity. We determine the bias-correction factors within this framework. This method is further tested using the hijing Monte Carlo generator. We find that for d +Au collisions at √sNN =200 GeV, these bias corrections are small and vary by less than 5% (10%) up to pT=10 (20) GeV/c. In contrast, for p +Pb collisions at √sNN =5.02 TeV we find that these bias factors are an order of magnitude larger and strongly pT dependent, likely attributable to the larger effect of multiparton interactions.

Molecular Dynamics of Hot Dense Plasmas: New Horizons

NASA Astrophysics Data System (ADS)

Graziani, Frank

2011-10-01

We describe the status of a new time-dependent simulation capability for hot dense plasmas. The backbone of this multi-institutional computational and experimental effort--the Cimarron Project--is the massively parallel molecular dynamics (MD) code ``ddcMD''. The project's focus is material conditions such as exist in inertial confinement fusion experiments, and in many stellar interiors: high temperatures, high densities, significant electromagnetic fields, mixtures of high- and low- Zelements, and non-Maxwellian particle distributions. Of particular importance is our ability to incorporate into this classical MD code key atomic, radiative, and nuclear processes, so that their interacting effects under non-ideal plasma conditions can be investigated. This talk summarizes progress in computational methodology, discusses strengths and weaknesses of quantum statistical potentials as effective interactions for MD, explains the model used for quantum events possibly occurring in a collision and highlights some significant results obtained to date. We describe the status of a new time-dependent simulation capability for hot dense plasmas. The backbone of this multi-institutional computational and experimental effort--the Cimarron Project--is the massively parallel molecular dynamics (MD) code ``ddcMD''. The project's focus is material conditions such as exist in inertial confinement fusion experiments, and in many stellar interiors: high temperatures, high densities, significant electromagnetic fields, mixtures of high- and low- Zelements, and non-Maxwellian particle distributions. Of particular importance is our ability to incorporate into this classical MD code key atomic, radiative, and nuclear processes, so that their interacting effects under non-ideal plasma conditions can be investigated. This talk summarizes progress in computational methodology, discusses strengths and weaknesses of quantum statistical potentials as effective interactions for MD, explains the

The Henry Ford Production System: LEAN Process Redesign Improves Service in the Molecular Diagnostic Laboratory

PubMed Central

Cankovic, Milena; Varney, Ruan C.; Whiteley, Lisa; Brown, Ron; D'Angelo, Rita; Chitale, Dhananjay; Zarbo, Richard J.

2009-01-01

Accurate and timely molecular test results play an important role in patient management; consequently, there is a customer expectation of short testing turnaround times. Baseline data analysis revealed that the greatest challenge to timely result generation occurred in the preanalytic phase of specimen collection and transport. Here, we describe our efforts to improve molecular testing turnaround times by focusing primarily on redesign of preanalytic processes using the principles of LEAN production. Our goal was to complete greater than 90% of the molecular tests in less than 3 days. The project required cooperation from different laboratory disciplines as well as individuals outside of the laboratory. The redesigned processes involved defining and standardizing the protocols and approaching blood and tissue specimens as analytes for molecular testing. The LEAN process resulted in fewer steps, approaching the ideal of a one-piece flow for specimens through collection/retrieval, transport, and different aspects of the testing process. The outcome of introducing the LEAN process has been a 44% reduction in molecular test turnaround time for tissue specimens, from an average of 2.7 to 1.5 days. In addition, extending LEAN work principles to the clinician suppliers has resulted in a markedly increased number of properly collected and shipped blood specimens (from 50 to 87%). These continuous quality improvements were accomplished by empowered workers in a blame-free environment and are now being sustained with minimal management involvement. PMID:19661386

Statistics of Infima and Stopping Times of Entropy Production and Applications to Active Molecular Processes

NASA Astrophysics Data System (ADS)

Neri, Izaak; Roldán, Édgar; Jülicher, Frank

2017-01-01

We study the statistics of infima, stopping times, and passage probabilities of entropy production in nonequilibrium steady states, and we show that they are universal. We consider two examples of stopping times: first-passage times of entropy production and waiting times of stochastic processes, which are the times when a system reaches a given state for the first time. Our main results are as follows: (i) The distribution of the global infimum of entropy production is exponential with mean equal to minus Boltzmann's constant; (ii) we find exact expressions for the passage probabilities of entropy production; (iii) we derive a fluctuation theorem for stopping-time distributions of entropy production. These results have interesting implications for stochastic processes that can be discussed in simple colloidal systems and in active molecular processes. In particular, we show that the timing and statistics of discrete chemical transitions of molecular processes, such as the steps of molecular motors, are governed by the statistics of entropy production. We also show that the extreme-value statistics of active molecular processes are governed by entropy production; for example, we derive a relation between the maximal excursion of a molecular motor against the direction of an external force and the infimum of the corresponding entropy-production fluctuations. Using this relation, we make predictions for the distribution of the maximum backtrack depth of RNA polymerases, which follow from our universal results for entropy-production infima.

Atomic and Molecular Dynamics on and in Superfluid Helium Nanodroplets

NASA Astrophysics Data System (ADS)

Lehmann, Kevin K.

2003-03-01

Studies of intramolecular and intermolecular dynamics is at the core of Molecular Spectroscopic research several decades. Gas phase, particularly molecular beam, studies have greatly illuminated these processes in isolated molecules, bimolecular collisions, or small covalent and van der Waals complexes. Parallel to this effort have been studies in condensed phases, but there has unfortunately been little intellectual contact between these. The recent development of Helium Nanodropet Isolation Spectroscopy is providing an intellectual bridge between gas phase and condensed phase spectroscopy. While droplets of 10,000 He atoms are effectively a condensed phase, their low temperature ( 0.4 K) and ultralow heat capacities combined with their superfluid state make them an almost ideal matrix in which to study both molecular dynamics, including solute induced relaxations. The nsec times scales for many of the relaxation events, orders of magnitude slower than in classical liquids, results in spectra with unprecedented resolution for the liquid state. In this talk, studies of the Princeton group will be highlighted, with particular emphasis on those for which a combination of theory and experiment have combined to reveal dynamics in this unique Quantum Fluid.

Strange and non-strange particle production in antiproton-nucleus collisions in the UrQMD model

NASA Astrophysics Data System (ADS)

Limphirat, Ayut; Kobdaj, Chinorat; Bleicher, Marcus; Yan, Yupeng; Stöcker, Horst

2009-06-01

The capabilities of the ultra-relativistic quantum molecular dynamics (UrQMD) model in describing antiproton-nucleus collisions are presented. The model provides a good description of the experimental data on multiplicities, transverse momentum distributions and rapidity distributions in antiproton-nucleus collisions. Special emphasis is put on the comparison of strange particles in reactions with nuclear targets ranging from 7Li, 12C, 32S, 64Cu to 131Xe because of the important role of strangeness for the exploration of hypernuclei at PANDA-FAIR. The productions of the double strange baryons Ξ- and \\bar{\\Xi}^+ , which may be used to produce double Λ hypernuclei, are predicted in this work for the reactions \\skew2\\bar{p} + 24Mg, 64Cu and 197Au.

Annual Progress Report (17th) and 1992-97 Renewal Proposal Interactive Graphics for Molecular Studies

DTIC Science & Technology

1991-01-24

Molecular Graphics, vol. 6, No. 4 (Dec. 1988), p. 223. Turk, Greg, "Interactive Collision Detection for Molecular Graphics," M.S. thesis , UNC-Chapel Hill...Problem," Master’s thesis , UNC Department of Computer Science Technical Report #TR87-013, May 1987. Pique, ME., "Technical Trends in Molecular Graphics...AD-A236 598 Seventeenth Annual Progress Report and 1992-97 Renewal Proposal Interactive Graphics for Molecular Studies TR91-020 January 24, 1991 red

Improvement on Fermionic properties and new isotope production in molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Wang, Ning; Wu, Tong; Zeng, Jie; Yang, Yongxu; Ou, Li

2016-06-01

By considering momentum transfer in the Fermi constraint procedure, the stability of the initial nuclei and fragments produced in heavy-ion collisions can be further improved in quantum molecular dynamics simulations. The case of a phase-space occupation probability larger than one is effectively reduced with the proposed procedure. Simultaneously, the energy conservation can be better described for both individual nuclei and heavy-ion reactions. With the revised version of the improved quantum molecular dynamics model, the fusion excitation functions of 16O+186W and the central collisions of Au+Au at 35 AMeV are re-examined. The fusion cross sections at sub-barrier energies and the charge distribution of fragments are relatively better reproduced due to the reduction of spurious nucleon emission. The charge and isotope distribution of fragments in Xe+Sn, U+U and Zr+Sn at intermediate energies are also predicted. More unmeasured extremely neutron-rich fragments with Z = 16-28 are observed in the central collisions of 238U+238U than that of 96Zr+124Sn, which indicates that multi-fragmentation of U+U may offer a fruitful pathway to new neutron-rich isotopes.

Diagonal and off-diagonal susceptibilities of conserved quantities in relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Chatterjee, Arghya; Chatterjee, Sandeep; Nayak, Tapan K.; Ranjan Sahoo, Nihar

2016-12-01

Susceptibilities of conserved quantities, such as baryon number, strangeness and electric charge are sensitive to the onset of quantum chromodynamics phase transition, and are expected to provide information on the matter produced in heavy-ion collision experiments. A comprehensive study of the second order diagonal susceptibilities and cross correlations has been made within a thermal model approach of the hadron resonance gas model as well as with a hadronic transport model, ultra-relativistic quantum molecular dynamics. We perform a detailed analysis of the effect of detector acceptances and choice of particle species in the experimental measurements of the susceptibilities for heavy-ion collisions corresponding to \\sqrt{{s}{NN}} = 4 GeV to 200 GeV. The transverse momentum cutoff dependence of suitably normalised susceptibilities are proposed as useful observables to probe the properties of the medium at freezeout.

Electron capture and excitation processes in H+-H collisions in dense quantum plasmas

NASA Astrophysics Data System (ADS)

Jakimovski, D.; Markovska, N.; Janev, R. K.

2016-10-01

Electron capture and excitation processes in proton-hydrogen atom collisions taking place in dense quantum plasmas are studied by employing the two-centre atomic orbital close-coupling (TC-AOCC) method. The Debye-Hückel cosine (DHC) potential is used to describe the plasma screening effects on the Coulomb interaction between charged particles. The properties of a hydrogen atom with DHC potential are investigated as a function of the screening strength of the potential. It is found that the decrease in binding energy of nl levels with increasing screening strength is considerably faster than in the case of the Debye-Hückel (DH) screening potential, appropriate for description of charged particle interactions in weakly coupled classical plasmas. This results in a reduction in the number of bound states in the DHC potential with respect to that in the DH potential for the same plasma screening strength, and is reflected in the dynamics of excitation and electron capture processes for the two screened potentials. The TC-AOCC cross sections for total and state-selective electron capture and excitation cross sections with the DHC potential are calculated for a number of representative screening strengths in the 1-300 keV energy range and compared with those for the DH and pure Coulomb potential. The total capture cross sections for a selected number of screening strengths are compared with the available results from classical trajectory Monte Carlo calculations.

Molecular processes of transgenerational acclimation to a warming ocean

NASA Astrophysics Data System (ADS)

Veilleux, Heather D.; Ryu, Taewoo; Donelson, Jennifer M.; van Herwerden, Lynne; Seridi, Loqmane; Ghosheh, Yanal; Berumen, Michael L.; Leggat, William; Ravasi, Timothy; Munday, Philip L.

2015-12-01

Some animals have the remarkable capacity to acclimate across generations to projected future climate change; however, the underlying molecular processes are unknown. We sequenced and assembled de novo transcriptomes of adult tropical reef fish exposed developmentally or transgenerationally to projected future ocean temperatures and correlated the resulting expression profiles with acclimated metabolic traits from the same fish. We identified 69 contigs representing 53 key genes involved in thermal acclimation of aerobic capacity. Metabolic genes were among the most upregulated transgenerationally, suggesting shifts in energy production for maintaining performance at elevated temperatures. Furthermore, immune- and stress-responsive genes were upregulated transgenerationally, indicating a new complement of genes allowing the second generation of fish to better cope with elevated temperatures. Other differentially expressed genes were involved with tissue development and transcriptional regulation. Overall, we found a similar suite of differentially expressed genes among developmental and transgenerational treatments. Heat-shock protein genes were surprisingly unresponsive, indicating that short-term heat-stress responses may not be a good indicator of long-term acclimation capacity. Our results are the first to reveal the molecular processes that may enable marine fishes to adjust to a future warmer environment over multiple generations.

Collisions of ideal gas molecules with a rough/fractal surface. A computational study.

PubMed

Panczyk, Tomasz

2007-02-01

The frequency of collisions of ideal gas molecules (argon) with a rough surface has been studied. The rough/fractal surface was created using random deposition technique. By applying various depositions, the roughness of the surface was controlled and, as a measure of the irregularity, the fractal dimensions of the surfaces were determined. The surfaces were next immersed in argon (under pressures 2 x 10(3) to 2 x 10(5) Pa) and the numbers of collisions with these surfaces were counted. The calculations were carried out using a simplified molecular dynamics simulation technique (only hard core repulsions were assumed). As a result, it was stated that the frequency of collisions is a linear function of pressure for all fractal dimensions studied (D = 2, ..., 2.5). The frequency per unit pressure is quite complex function of the fractal dimension; however, the changes of that frequency with the fractal dimension are not strong. It was found that the frequency of collisions is controlled by the number of weakly folded sites on the surfaces and there is some mapping between the shape of adsorption energy distribution functions and this number of weakly folded sites. The results for the rough/fractal surfaces were compared with the prediction given by the Langmuir-Hertz equation (valid for smooth surface), generally the departure from the Langmuir-Hertz equation is not higher than 48% for the studied systems (i.e. for the surfaces created using the random deposition technique).

Multiscale Molecular Simulation of Solution Processing of SMDPPEH: PCBM Small-Molecule Organic Solar Cells.

PubMed

Lee, Cheng-Kuang; Pao, Chun-Wei

2016-08-17

Solution-processed small-molecule organic solar cells are a promising renewable energy source because of their low production cost, mechanical flexibility, and light weight relative to their pure inorganic counterparts. In this work, we developed a coarse-grained (CG) Gay-Berne ellipsoid molecular simulation model based on atomistic trajectories from all-atom molecular dynamics simulations of smaller system sizes to systematically study the nanomorphology of the SMDPPEH/PCBM/solvent ternary blend during solution processing, including the blade-coating process by applying external shear to the solution. With the significantly reduced overall system degrees of freedom and computational acceleration from GPU, we were able to go well beyond the limitation of conventional all-atom molecular simulations with a system size on the order of hundreds of nanometers with mesoscale molecular detail. Our simulations indicate that, similar to polymer solar cells, the optimal blending ratio in small-molecule organic solar cells must provide the highest specific interfacial area for efficient exciton dissociation, while retaining balanced hole/electron transport pathway percolation. We also reveal that blade-coating processes have a significant impact on nanomorphology. For given donor/acceptor blending ratios, applying an external shear force can effectively promote donor/acceptor phase segregation and stacking in the SMDPPEH domains. The present study demonstrated the capability of an ellipsoid-based coarse-grained model for studying the nanomorphology evolution of small-molecule organic solar cells during solution processing/blade-coating and provided links between fabrication protocols and device nanomorphologies.

SPH simulations of high-speed collisions

NASA Astrophysics Data System (ADS)

Rozehnal, Jakub; Broz, Miroslav

2016-10-01

Our work is devoted to a comparison of: i) asteroid-asteroid collisions occurring at lower velocities (about 5 km/s in the Main Belt), and ii) mutual collisions of asteroids and cometary nuclei usually occurring at significantly higher relative velocities (> 10 km/s).We focus on differences in the propagation of the shock wave, ejection of the fragments and possible differences in the resultingsize-frequency distributions of synthetic asteroid families. We also discuss scaling with respect to the "nominal" target diameter D = 100 km, projectile velocity 3-7 km/s, for which a number of simulations were done so far (Durda et al. 2007, Benavidez et al. 2012).In the latter case of asteroid-comet collisions, we simulate the impacts of brittle or pre-damaged impactors onto solid monolithic targets at high velocities, ranging from 10 to 15 km/s. The purpose of this numerical experiment is to better understand impact processes shaping the early Solar System, namely the primordial asteroid belt during during the (late) heavy bombardment (as a continuation of Broz et al. 2013).For all hydrodynamical simulations we use a smoothed-particle hydrodynamics method (SPH), namely the lagrangian SPH3D code (Benz & Asphaug 1994, 1995). The gravitational interactions between fragments (re-accumulation) is simulated with the Pkdgrav tree-code (Richardson et al. 2000).

Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile

NASA Astrophysics Data System (ADS)

Cui, Jie; Li, Zhiying; Krems, Roman V.

2015-10-01

We consider a problem of extrapolating the collision properties of a large polyatomic molecule A-H to make predictions of the dynamical properties for another molecule related to A-H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A-X. We assume that the effect of the -H →-X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C6H5CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He — C6H6 collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C6H5CN with He.

Molecular dynamics simulation of gas-phase ozone reactions with sabinene and benzene.

PubMed

Ridgway, H F; Mohan, B; Cui, X; Chua, K J; Islam, M R

2017-06-01

Gas-phase reactions of ozone (O 3 ) with volatile organic compounds were investigated both by experiment and molecular simulations. From our experiments, it was found ozone readily reacts with VOC pure components and reduces it effectively. By introducing ozone intermittently, the reaction between VOC and ozone is markedly enhanced. In order to understand the relationship between intermediate reactions and end products, ozone reaction with benzene and alicyclic monoterpene sabinene were simulated via a novel hybrid quantum mechanical/molecular mechanics (QM/MM) algorithm that forced repeated bimolecular collisions. Molecular orbital (MO) rearrangements (manifested as bond dissociation or formation), resulting from the collisions, were computed by semi-empirical unrestricted Hartree-Fock methods (e.g., RM1). A minimum of 975 collisions between ozone and targeted organic species were performed to generate a distribution of reaction products. Results indicated that benzene and sabinene reacted with ozone to produce a range of stable products and intermediates, including carbocations, ring-scission products, as well as peroxy (HO 2 and HO 3 ) and hydroxyl (OH) radicals. Among the stable sabinene products observed included formaldehyde and sabina-ketone, which have been experimentally demonstrated in gas-phase ozonation reactions. Among the benzene ozonation products detected composed of oxygen mono-substituted aromatic C 6 H 5 O, which may undergo further transformation or rearrangement to phenol, benzene oxide or 2,4-cyclohexadienone; a phenomenon which has been experimentally observed in vapor-phase photocatalytic ozonation reactions. Copyright © 2017 Elsevier Inc. All rights reserved.

Catching Collisions in the LHC

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

Fruguiele, Claudia; Hirschauer, Jim

Now that the Large Hadron Collider has officially turned back on for its second run, within every proton collision could emerge the next new discovery in particle physics. Learn how the detectors on the Compact Muon Solenoid, or CMS, experiment capture and track particles as they are expelled from a collision. Talking us through these collisions are Claudia Fruguiele and Jim Hirschauer of Fermi National Accelerator Laboratory, the largest U.S. institution collaborating on the LHC.

Catching Collisions in the LHC

ScienceCinema

Fruguiele, Claudia; Hirschauer, Jim

2018-01-16

Now that the Large Hadron Collider has officially turned back on for its second run, within every proton collision could emerge the next new discovery in particle physics. Learn how the detectors on the Compact Muon Solenoid, or CMS, experiment capture and track particles as they are expelled from a collision. Talking us through these collisions are Claudia Fruguiele and Jim Hirschauer of Fermi National Accelerator Laboratory, the largest U.S. institution collaborating on the LHC.

Molecular inflammation as an underlying mechanism of the aging process and age-related diseases.

PubMed

Chung, H Y; Lee, E K; Choi, Y J; Kim, J M; Kim, D H; Zou, Y; Kim, C H; Lee, J; Kim, H S; Kim, N D; Jung, J H; Yu, B P

2011-07-01

Aging is a biological process characterized by time-dependent functional declines that are influenced by changes in redox status and by oxidative stress-induced inflammatory reactions. An organism's pro-inflammatory status may underlie the aging process and age-related diseases. In this review, we explore the molecular basis of low-grade, unresolved, subclinical inflammation as a major risk factor for exacerbating the aging process and age-related diseases. We focus on the redox-sensitive transcription factors, NF-κB and FOXO, which play essential roles in the expression of pro-inflammatory mediators and anti-oxidant enzymes, respectively. Major players in molecular inflammation are discussed with respect to the age-related up-regulation of pro-inflammatory cytokines and adhesion molecules, cyclo-oxygenase-2, lipoxygenase, and inducible nitric oxide synthase. The molecular inflammation hypothesis proposed by our laboratory is briefly described to give further molecular insights into the intricate interplay among redox balance, pro-inflammatory gene activation, and chronic age-related inflammatory diseases. The final section discusses calorie restriction as an aging-retarding intervention that also exhibits extraordinarily effective anti-inflammatory activity by modulating GSH redox, NF-κB, SIRT1, PPARs, and FOXOs.

Automatic Collision Avoidance Technology (ACAT)

NASA Technical Reports Server (NTRS)

Swihart, Donald E.; Skoog, Mark A.

2007-01-01

This document represents two views of the Automatic Collision Avoidance Technology (ACAT). One viewgraph presentation reviews the development and system design of Automatic Collision Avoidance Technology (ACAT). Two types of ACAT exist: Automatic Ground Collision Avoidance (AGCAS) and Automatic Air Collision Avoidance (AACAS). The AGCAS Uses Digital Terrain Elevation Data (DTED) for mapping functions, and uses Navigation data to place aircraft on map. It then scans DTED in front of and around aircraft and uses future aircraft trajectory (5g) to provide automatic flyup maneuver when required. The AACAS uses data link to determine position and closing rate. It contains several canned maneuvers to avoid collision. Automatic maneuvers can occur at last instant and both aircraft maneuver when using data link. The system can use sensor in place of data link. The second viewgraph presentation reviews the development of a flight test and an evaluation of the test. A review of the operation and comparison of the AGCAS and a pilot's performance are given. The same review is given for the AACAS is given.

Electron capture in collisions of S4+ with helium

NASA Astrophysics Data System (ADS)

Wang, J. G.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Stancil, P. C.; Zygelman, B.

2002-07-01

Charge transfer due to collisions of ground-state S4+(3s2 1S) ions with helium is investigated for energies between 0.1 meV u-1 and 10 MeV u-1. Total and state-selective single electron capture (SEC) cross sections and rate coefficients are obtained utilizing the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling (AOCC), classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Previous data are limited to a calculation of the total SEC rate coefficient using the Landau-Zener model that is, in comparison to the results presented here, three orders of magnitude smaller. The MOCC SEC cross sections at low energy reveal a multichannel interference effect. True double capture is also investigated with the AOCC and CTMC approaches while autoionizing double capture and transfer ionization (TI) is explored with CTMC. SEC is found to be the dominant process except for E>200 keV u-1 when TI becomes the primary capture channel. Astrophysical implications are briefly discussed.

About the Collision Repair Campaign

EPA Pesticide Factsheets

EPA developed the Collision Repair Campaign to focus on meaningful risk reduction in the Collision Repair source sector to complement ongoing community air toxics work and attain reductions at a faster rate.

Systematic study of 16O-induced fusion with the improved quantum molecular dynamics model

NASA Astrophysics Data System (ADS)

Wang, Ning; Zhao, Kai; Li, Zhuxia

2014-11-01

The heavy-ion fusion reactions with 16O bombarding on 62Ni,65Cu,74Ge,148Nd,180Hf,186W,208Pb,238U are systematically investigated with the improved quantum molecular dynamics model. The fusion cross sections at energies near and above the Coulomb barriers can be reasonably well reproduced by using this semiclassical microscopic transport model with the parameter sets SkP* and IQ3a. The dynamical nucleus-nucleus potentials and the influence of Fermi constraint on the fusion process are also studied simultaneously. In addition to the mean field, the Fermi constraint also plays a key role for the reliable description of the fusion process and for improving the stability of fragments in heavy-ion collisions.

Crossed-beam velocity map imaging of collisional autoionization processes

NASA Astrophysics Data System (ADS)

Delmdahl, Ralph F.; Bakker, Bernard L. G.; Parker, David H.

2000-11-01

Applying the velocity map imaging technique Penning ion formation as well as generation of associative ions is observed in autoionizing collisions of metastable neon atoms (Ne* 2p5 3s 3P2,0) with ground state argon targets in a crossed molecular beam experiment. Metastable neon reactants are obtained by nozzle expansion through a dc discharge ring. The quality of the obtained results clearly demonstrates the suitability of this new, particularly straightforward experimental approach with respect to angle and kinetic energy resolved investigations of Penning processes in crossed-beam studies which are known to provide the highest level of detail.

Sixteenth International Conference on the physics of electronic and atomic collisions

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

Dalgarno, A.; Freund, R.S.; Lubell, M.S.

1989-01-01

This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter.

Dependence on collision energy of the stereodynamical properties of the 18O + 32O2 exchange reaction

NASA Astrophysics Data System (ADS)

Privat, E.; Guillon, G.; Honvault, P.

2018-06-01

We report a quantum stereodynamical study of the 18O + 16O16O(v = 0, j = 1) → 18O16O(v‧ = 0, j‧) + 16O oxygen exchange reaction at four different collision energies. We calculated the polarisation moments and generated stereodynamical portraits related to the key vectors involved in this collision process. Ozone complex-forming approaches of reactants are then deduced. The results indicate that different approaches are possible but strongly depend on the collision energy and other parameters of the collision. We also conclude that the reaction globally tends to favour a perpendicular approach with increasing energy.

Comparison of heavy-ion transport simulations: Collision integral in a box

NASA Astrophysics Data System (ADS)

Zhang, Ying-Xun; Wang, Yong-Jia; Colonna, Maria; Danielewicz, Pawel; Ono, Akira; Tsang, Manyee Betty; Wolter, Hermann; Xu, Jun; Chen, Lie-Wen; Cozma, Dan; Feng, Zhao-Qing; Das Gupta, Subal; Ikeno, Natsumi; Ko, Che-Ming; Li, Bao-An; Li, Qing-Feng; Li, Zhu-Xia; Mallik, Swagata; Nara, Yasushi; Ogawa, Tatsuhiko; Ohnishi, Akira; Oliinychenko, Dmytro; Papa, Massimo; Petersen, Hannah; Su, Jun; Song, Taesoo; Weil, Janus; Wang, Ning; Zhang, Feng-Shou; Zhang, Zhen

2018-03-01

Simulations by transport codes are indispensable to extract valuable physical information from heavy-ion collisions. In order to understand the origins of discrepancies among different widely used transport codes, we compare 15 such codes under controlled conditions of a system confined to a box with periodic boundary, initialized with Fermi-Dirac distributions at saturation density and temperatures of either 0 or 5 MeV. In such calculations, one is able to check separately the different ingredients of a transport code. In this second publication of the code evaluation project, we only consider the two-body collision term; i.e., we perform cascade calculations. When the Pauli blocking is artificially suppressed, the collision rates are found to be consistent for most codes (to within 1 % or better) with analytical results, or completely controlled results of a basic cascade code. In orderto reach that goal, it was necessary to eliminate correlations within the same pair of colliding particles that can be present depending on the adopted collision prescription. In calculations with active Pauli blocking, the blocking probability was found to deviate from the expected reference values. The reason is found in substantial phase-space fluctuations and smearing tied to numerical algorithms and model assumptions in the representation of phase space. This results in the reduction of the blocking probability in most transport codes, so that the simulated system gradually evolves away from the Fermi-Dirac toward a Boltzmann distribution. Since the numerical fluctuations are weaker in the Boltzmann-Uehling-Uhlenbeck codes, the Fermi-Dirac statistics is maintained there for a longer time than in the quantum molecular dynamics codes. As a result of this investigation, we are able to make judgements about the most effective strategies in transport simulations for determining the collision probabilities and the Pauli blocking. Investigation in a similar vein of other ingredients

Studies of Inelastic Collisions of NaK and NaCs Molecules with Atomic Perturbers

NASA Astrophysics Data System (ADS)

Jones, Joshua A.

We have investigated collisions of NaK molecules in the first excited state [2(A)1Sigma+], with Ar and He collision partners using laser-induced fluorescence spectroscopy (LIF) and polarization-labeling (PL) spectroscopy in a two-step excitation scheme. Additionally, we have investigated collisions of NaCs molecules in the first excited state [2(A)1Sigma +] with Ar and He perturbers using the LIF technique. We use a pump-probe, two-step excitation process. The pump laser prepares the molecule in a particular ro-vibrational (v, J) level in the A state. The probe laser frequency is scanned over transitions to the 31Π in NaK or to the 53Π in NaCs. In addition to observing strong direct lines, we also see weak collisional satellite lines that arise from collisions in the intermediate state that take the molecule from the prepared level (v, J) to level (v, J + Delta J). The ratio of the intensity of the collisional line to the intensity of the direct line in LIF and PL yield information about population and orientation transfer. Our results show a propensity for DeltaJ=even collisions of NaK with Ar and an even stronger propensity for collisions with He. Collisions of NaCs with Ar do not show any such J=even propensity. Preliminary investigations of collisions of NaCs with He seem to indicate a slight J=even propensity. In addition, we observe that rotationally inelastic collisions of excited NaK molecules with potassium atoms destroy almost all of the orientation, while collisions with argon destroy about one third to two thirds and collisions with helium destroy only about zero to one third of the initial orientation.

Ensuring Interoperability between UAS Detect-and-Avoid and Manned Aircraft Collision Avoidance

NASA Technical Reports Server (NTRS)

Thipphavong, David; Cone, Andrew; Lee, Seung Man; Santiago, Confesor

2017-01-01

The UAS community in the United States has identified the need for a collision avoidance region in which UAS Detect-and-Avoid (DAA) vertical guidance is restricted to preclude interoperability issues with manned aircraft collision avoidance system vertical resolution advisories (RAs). This paper documents the process by which the collision avoidance region was defined. Three candidate definitions were evaluated on 1.3 million simulated pairwise encounters between UAS and manned aircraft covering a wide range of horizontal and vertical closure rates, angles, and miss distances. They were evaluated with regard to UAS DAA interoperability with manned aircraft collision avoidance systems in terms of: 1) the primary objective of restricting DAA vertical guidance before RAs when the aircraft are close, and 2) the secondary objective of avoiding unnecessary restrictions of DAA vertical guidance at a DAA alert when the aircraft are further apart. The collision avoidance region definition that fully achieves the primary objective and best achieves the secondary objective was recommended to and accepted by the UAS community in the United States. By this definition, UAS and manned aircraft are in the collision avoidance region--during which DAA vertical guidance is restricted--when the time to closest point of approach is less than 50 seconds and either the time to co-altitude is less than 50 seconds or the current vertical separation is less than 800 feet.

Interstellar Processes Leading to Molecular Deuterium Enrichment and Their Detection

NASA Technical Reports Server (NTRS)

Sandford, Scott A.; Kliss, Mark (Technical Monitor)

2001-01-01

Large deuterium (D) enrichments in meteoritic materials indicate that interstellar organic materials survived incorporation into parent bodies within the forming Solar System. These enrichments are likelier due to one or more of four distinct astrochemical processes. These are (1) low temperature gas phase ion-molecule reactions; (2) low temperature gas-grain reactions; (3) gas phase unimolecular photodissociation, and (4) ultraviolet photolysis in D-enriched ice mantles. Each of these processes should be associated with molecular carriers having, distinct regiochemical signatures (D placement on the product molecules, correlation with specific chemical functionalities, etc.). These processes are reviewed and specific spectroscopic signatures for the detection of these processes in space are identified and described.

Rotationally inelastic collisions of H2+ ions with He buffer gas: Computing cross sections and rates

NASA Astrophysics Data System (ADS)

Hernández Vera, Mario; Gianturco, F. A.; Wester, R.; da Silva, H.; Dulieu, O.; Schiller, S.

2017-03-01

We present quantum calculations for the inelastic collisions between H2+ molecules, in rotationally excited internal states, and He atoms. This work is motivated by the possibility of experiments in which the molecular ions are stored and translationally cooled in an ion trap and a He buffer gas is added for deactivation of the internal rotational population, in particular at low (cryogenic) translational temperatures. We carry out an accurate representation of the forces at play from an ab initio description of the relevant potential energy surface, with the molecular ion in its ground vibrational state, and obtain the cross sections for state-changing rotationally inelastic collisions by solving the coupled channel quantum scattering equations. The presence of hyperfine and fine structure effects in both ortho- and para-H2+ molecules is investigated and compared to the results where such a contribution is disregarded. An analysis of possible propensity rules that may predict the relative probabilities of inelastic events involving rotational state-changing is also carried out, together with the corresponding elastic cross sections from several initial rotational states. Temperature-dependent rotationally inelastic rates are then computed and discussed in terms of relative state-changing collisional efficiency under trap conditions. The results provide the essential input data for modeling different aspects of the experimental setups which can finally produce internally cold molecular ions interacting with a buffer gas.

Vector Analysis of Ionic Collision on CaCO3 Precipitation Based on Vibration Time History

NASA Astrophysics Data System (ADS)

Mangestiyono, W.; Muryanto, S.; Jamari, J.; Bayuseno, A. P.

2017-05-01

Vibration effects on the piping system can result from the internal factor of fluid or the external factor of the mechanical equipment operation. As the pipe vibrated, the precipitation process of CaCO3 on the inner pipe could be affected. In the previous research, the effect of vibration on CaCO3 precipitation in piping system was clearly verified. This increased the deposition rate and decreased the induction time. However, the mechanism of vibration control in CaCO3 precipitation process as the presence of vibration has not been recognized yet. In the present research, the mechanism of vibration affecting the CaCO3 precipitation was investigated through vector analysis of ionic collision. The ionic vector force was calculated based on the amount of the activation energy and the vibration force was calculated based on the vibration sensor data. The vector resultant of ionic collision based on the vibration time history was analyzed to prove that vibration brings ionic collision randomly to the planar horizontal direction and its collision model was suspected as the cause of the increasing deposition rate.

Time Evolution of the Giant Molecular Cloud Mass Functions across Galactic Disks

NASA Astrophysics Data System (ADS)

Kobayashi, Masato I. N.; Inutsuka, Shu-Ichiro; Kobayashi, Hiroshi; Hasegawa, Kenji

2017-01-01

We formulate and conduct the time-integration of time evolution equation for the giant molecular cloud mass function (GMCMF) including the cloud-cloud collision (CCC) effect. Our results show that the CCC effect is only limited in the massive-end of the GMCMF and indicate that future high resolution and sensitivity radio observations may constrain giant molecular cloud (GMC) timescales by observing the GMCMF slope in the lower mass regime.

46 CFR 179.210 - Collision bulkhead.

Code of Federal Regulations, 2010 CFR

2010-10-01

....210 Collision bulkhead. (a) A vessel of more than 19.8 meters (65 feet) in length must have a collision bulkhead. (b) A vessel of not more than 19.8 meters (65 feet) in length must have a collision....2 meters (40 feet) in length and operates on partially protected waters; or (4) Is constructed of...

Classical molecular dynamics simulation of electronically non-adiabatic processes.

PubMed

Miller, William H; Cotton, Stephen J

2016-12-22

Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).

Electron collisions with coherently prepared atomic targets

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

Trajmar, S.; Kanik, I.; LeClair, L.R.

1998-02-01

The subject of electron scattering by laser-excited atoms is briefly reviewed. To demonstrate some aspects of these electron collision processes, the authors describe the procedures and the results of a joint experimental and theoretical study concerning elastic scattering by coherently excited {sup 138}Ba (...6s6p {sup 1}P{sub 1}) atoms. Examples of experimental and theoretical collision parameters and magnetic sublevel differential cross sections for elastic scattering are given and compared. The convergent close coupling calculations (with the neglect of spin-orbit interaction) are in good agreement with experiment at 20 eV impact energy and 10, 15 and 20{degree} scattering angles and can bemore » expected to yield reliable integral magnetic sublevel and alignment creation cross sections. The role of these quantities in plasma polarization spectroscopy is pointed out.« less

Cluster-collision frequency. I. The long-range intercluster potential

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

Amadon, A.S.; Marlow, W.H.

1991-05-15

In recent years, gas-borne atomic and molecular clusters have emerged as subjects of basic physical and chemical interest and are gaining recognition for their importance in numerous applications. To calculate the evolution of the mass distribution of these clusters, their thermal collision rates are required. For computing these collision rates, the long-range interaction energy between clusters is required and is the subject of this paper. Utilizing a formulation of the iterated van der Waals interaction over discrete molecules that can be shown to converge with increasing numbers of atoms to the Lifshitz--van der Waals interaction for condensed matter, we calculatemore » the interaction energy as a function of center-of-mass separation for identical pairs of clusters of 13, 33, and 55 molecules of carbon tetrachloride in icosahedral and dodecahedral configurations. Two different relative orientations are chosen for each pair of clusters, and the energies are compared with energies calculated from the standard formula for continuum matter derived by summing over pair interactions with the Hamaker constant calculated according to Lifshitz theory. The results of these calculations give long-range interaction energies that assume typical adhesion-type values at cluster contact, unlike the unbounded results for the Lifshitz-Hamaker model. The relative difference between the discrete molecular energies and the continuum energies vanishes for {ital r}{sup *}{approx}2, where {ital r}{sup *} is the center-of-mass separation distance in units of cluster diameter. For larger separations, the relative difference changes sign, showing a value of approximately 15%, with the difference diminishing for increasing-sized clusters.« less

Collision-induced dissociation of protonated water clusters

NASA Astrophysics Data System (ADS)

Berthias, F.; Buridon, V.; Abdoul-Carime, H.; Farizon, B.; Farizon, M.; Dinh, P. M.; Reinhard, P.-G.; Suraud, E.; Märk, T. D.

2014-06-01

Collision-induced dissociation (CID) has been studied for protonated water clusters H+(H2O)n, with n = 2-8, colliding with argon atoms at a laboratory energy of 8 keV. The experimental data have been taken with an apparatus (Device for Irradiation of Molecular Clusters, `Dispositif d'Irradiation d'Agrégats Moléculaire,' DIAM) that has been recently constructed at the Institut de Physique Nucléaire de Lyon. It includes an event-by-event mass spectrometry detection technique, COINTOF (correlated ion and neutral fragment time of flight). The latter device allows, for each collision event, to detect and identify in a correlated manner all produced neutral and charged fragments. For all the studied cluster ions, it has allowed us to identify branching ratios for the loss of i = 1 to i = n water molecules, leading to fragment ions ranging from H+(H2O)i=n-1 all the way down to the production of protons. Using a corresponding calibration technique we determine total charged fragment production cross sections for incident protonated water clusters H+(H2O)n, with n = 2-7. Observed trends for branching ratios and cross sections, and a comparison with earlier data on measured attenuation cross sections for water clusters colliding with other noble gases (He and Xe), give insight into the underlying dissociation mechanisms.

Application of Decision Tree on Collision Avoidance System Design and Verification for Quadcopter

NASA Astrophysics Data System (ADS)

Chen, C.-W.; Hsieh, P.-H.; Lai, W.-H.

2017-08-01

The purpose of the research is to build a collision avoidance system with decision tree algorithm used for quadcopters. While the ultrasonic range finder judges the distance is in collision avoidance interval, the access will be replaced from operator to the system to control the altitude of the UAV. According to the former experiences on operating quadcopters, we can obtain the appropriate pitch angle. The UAS implement the following three motions to avoid collisions. Case1: initial slow avoidance stage, Case2: slow avoidance stage and Case3: Rapid avoidance stage. Then the training data of collision avoidance test will be transmitted to the ground station via wireless transmission module to further analysis. The entire decision tree algorithm of collision avoidance system, transmission data, and ground station have been verified in some flight tests. In the flight test, the quadcopter can implement avoidance motion in real-time and move away from obstacles steadily. In the avoidance area, the authority of the collision avoidance system is higher than the operator and implements the avoidance process. The quadcopter can successfully fly away from the obstacles in 1.92 meter per second and the minimum distance between the quadcopter and the obstacle is 1.05 meters.

2009 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2009-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2009 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised Statutes 189.635, every law enforcement agency whose officers investigate :...

2005 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2005-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2005 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised Statutes 189.635, every law enforcement agency whose officers investigate :...

2004 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2004-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2004 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised Statutes 189.635, every law enforcement agency whose officers investigate :...

2008 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2008-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2008 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised Statutes 189.635, every law enforcement agency whose officers investigate :...

2002 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2002-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2002 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised statutes 189.635, every law enforcement agency whose officers investigate :...

2003 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2003-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2003 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised Statutes 189.635, every law enforcement agency whose officers investigate :...

2001 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2001-01-01

KENTUCKYS TRAFFIC COLLISION FACTS report for 2001 is based on collision reports submitted to the Kentucky State Police : Records Branch. As required by Kentucky Revised Statutes 189.635, every law enforcement agency whose officers investigate :...

2007 Kentucky traffic collision facts

DOT National Transportation Integrated Search

2007-01-01