Ellipsoid-conic radiation collector and method

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

Brunsting, A.; Hogg, W.R.

Disclosed is a radiation collector apparatus and method primarily for counting and analyzing a flow of dilute particulate material, such as blood cells, sperm cells and the like, through the use of light detection. The radiation collector apparatus comprises a reflector chamber having an ellipsoidal reflector surface with a pair of elipsoidal foci defining a first focus, f11, and second focus, f12, and a second reflector surface with a primary focus, f21, positioned at the same point as focus f12, and a secondary focus, f22. The second reflector surface has the configuration of one of the conic sections of revolution.more » In operation the radiation collector apparatus is provided with an intensifed beam of light and a stream of particulate material aligned to intersect the intensifed beam of light at focus f11. Detectable light signals, after two reflections, are received in a focused beam by a photosensitive detector.« less

Ultrafast X-Ray Spectroscopy of Conical Intersections

NASA Astrophysics Data System (ADS)

Neville, Simon P.; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

2018-06-01

Ongoing developments in ultrafast x-ray sources offer powerful new means of probing the complex nonadiabatically coupled structural and electronic dynamics of photoexcited molecules. These non-Born-Oppenheimer effects are governed by general electronic degeneracies termed conical intersections, which play a key role, analogous to that of a transition state, in the electronic-nuclear dynamics of excited molecules. Using high-level ab initio quantum dynamics simulations, we studied time-resolved x-ray absorption (TRXAS) and photoelectron spectroscopy (TRXPS) of the prototypical unsaturated organic chromophore, ethylene, following excitation to its S2(π π*) state. The TRXAS, in particular, is highly sensitive to all aspects of the ensuing dynamics. These x-ray spectroscopies provide a clear signature of the wave packet dynamics near conical intersections, related to charge localization effects driven by the nuclear dynamics. Given the ubiquity of charge localization in excited state dynamics, we believe that ultrafast x-ray spectroscopies offer a unique and powerful route to the direct observation of dynamics around conical intersections.

Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method.

PubMed

Chen, Lipeng; Gelin, Maxim F; Chernyak, Vladimir Y; Domcke, Wolfgang; Zhao, Yang

2016-12-16

The effect of a dissipative environment on the ultrafast nonadiabatic dynamics at conical intersections is analyzed for a two-state two-mode model chosen to represent the S 2 (ππ*)-S 1 (nπ*) conical intersection in pyrazine (the system) which is bilinearly coupled to infinitely many harmonic oscillators in thermal equilibrium (the bath). The system-bath coupling is modeled by the Drude spectral function. The equation of motion for the reduced density matrix of the system is solved numerically exactly with the hierarchy equation of motion method using graphics-processor-unit (GPU) technology. The simulations are valid for arbitrary strength of the system-bath coupling and arbitrary bath memory relaxation time. The present computational studies overcome the limitations of weak system-bath coupling and short memory relaxation time inherent in previous simulations based on multi-level Redfield theory [A. Kühl and W. Domcke, J. Chem. Phys. 2002, 116, 263]. Time evolutions of electronic state populations and time-dependent reduced probability densities of the coupling and tuning modes of the conical intersection have been obtained. It is found that even weak coupling to the bath effectively suppresses the irregular fluctuations of the electronic populations of the isolated two-mode conical intersection. While the population of the upper adiabatic electronic state (S 2 ) is very efficiently quenched by the system-bath coupling, the population of the diabatic ππ* electronic state exhibits long-lived oscillations driven by coherent motion of the tuning mode. Counterintuitively, the coupling to the bath can lead to an enhanced lifetime of the coherence of the tuning mode as a result of effective damping of the highly excited coupling mode, which reduces the strong mode-mode coupling inherent to the conical intersection. The present results extend previous studies of the dissipative dynamics at conical intersections to the nonperturbative regime of system-bath coupling. They pave the way for future first-principles simulations of femtosecond time-resolved four-wave-mixing spectra of chromophores in condensed phases which are nonperturbative in the system dynamics, the system-bath coupling as well as the field-matter coupling.

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

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

Meek, Garrett A.; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu

2016-05-14

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplingsmore » at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.« less

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

NASA Astrophysics Data System (ADS)

Meek, Garrett A.; Levine, Benjamin G.

2016-05-01

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections.

PubMed

Meek, Garrett A; Levine, Benjamin G

2016-05-14

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.

Combinatorial invariants and covariants as tools for conical intersections.

PubMed

Ryb, Itai; Baer, Roi

2004-12-01

The combinatorial invariant and covariant are introduced as practical tools for analysis of conical intersections in molecules. The combinatorial invariant is a quantity depending on adiabatic electronic states taken at discrete nuclear configuration points. It is invariant to the phase choice (gauge) of these states. In the limit that the points trace a loop in nuclear configuration space, the value of the invariant approaches the corresponding Berry phase factor. The Berry phase indicates the presence of an odd or even number of conical intersections on surfaces bounded by these loops. Based on the combinatorial invariant, we develop a computationally simple and efficient method for locating conical intersections. The method is robust due to its use of gauge invariant nature. It does not rely on the landscape of intersecting potential energy surfaces nor does it require the computation of nonadiabatic couplings. We generalize the concept to open paths and combinatorial covariants for higher dimensions obtaining a technique for the construction of the gauge-covariant adiabatic-diabatic transformation matrix. This too does not make use of nonadiabatic couplings. The importance of using gauge-covariant expressions is underlined throughout. These techniques can be readily implemented by standard quantum chemistry codes. (c) 2004 American Institute of Physics.

Imaging CF3I conical intersection and photodissociation dynamics by ultrafast electron diffraction

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

Yang, Jie

Conical intersections play a critical role in excited state dynamics of polyatomic molecules, as they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wavepacket trajectories through these intersections directly. Here we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas phase electron diffraction. In the two-photon channel, we have mapped out the real space trajectories of a coherent nuclear wavepacket, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitationmore » of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab-initio nonadiabatic dynamics calculations.« less

Absence of Vacuum Induced Berry Phases without the Rotating Wave Approximation in Cavity QED

NASA Astrophysics Data System (ADS)

Larson, Jonas

2012-01-01

We revisit earlier studies on Berry phases suggested to appear in certain cavity QED settings. It has been especially argued that a nontrivial geometric phase is achievable even in the situation of no cavity photons. We, however, show that such results hinge on imposing the rotating wave approximation (RWA), while without the RWA no Berry phases occur in these schemes. A geometrical interpretation of our results is obtained by introducing semiclassical energy surfaces which in a simple way brings out the phase-space dynamics. With the RWA, a conical intersection between the surfaces emerges and encircling it gives rise to the Berry phase. Without the RWA, the conical intersection is absent and therefore the Berry phase vanishes. It is believed that this is a first example showing how the application of the RWA in the Jaynes-Cummings model may lead to false conclusions, regardless of the mutual strengths between the system parameters.

Balancing single- and multi-reference correlation in the chemiluminescent reaction of dioxetanone using the anti-Hermitian contracted Schrödinger equation.

PubMed

Greenman, Loren; Mazziotti, David A

2011-05-07

Direct computation of energies and two-electron reduced density matrices (2-RDMs) from the anti-Hermitian contracted Schrödinger equation (ACSE) [D. A. Mazziotti, Phys. Rev. Lett. 97, 143002 (2006)], it is shown, recovers both single- and multi-reference electron correlation in the chemiluminescent reaction of dioxetanone especially in the vicinity of the conical intersection where strong correlation is important. Dioxetanone, the light-producing moiety of firefly luciferin, efficiently converts chemical energy into light by accessing its excited-state surface via a conical intersection. Our previous active-space 2-RDM study of dioxetanone [L. Greenman and D. A. Mazziotti, J. Chem. Phys. 133, 164110 (2010)] concluded that correlating 16 electrons in 13 (active) orbitals is required for realistic surfaces without correlating the remaining (inactive) orbitals. In this paper we pursue two complementary goals: (i) to correlate the inactive orbitals in 2-RDMs along dioxetanone's reaction coordinate and compare these results with those from multireference second-order perturbation theory (MRPT2) and (ii) to assess the size of the active space-the number of correlated electrons and orbitals-required by both MRPT2 and ACSE for accurate energies and surfaces. While MRPT2 recovers very different amounts of correlation with (4,4) and (16,13) active spaces, the ACSE obtains a similar amount of correlation energy with either active space. Nevertheless, subtle differences in excitation energies near the conical intersection suggest that the (16,13) active space is necessary to determine both energetic details and properties. Strong electron correlation is further assessed through several RDM-based metrics including (i) total and relative energies, (ii) the von Neumann entropy based on the 1-electron RDM, as well as the (iii) infinity and (iv) squared Frobenius norms based on the cumulant 2-RDM.

Understanding the Conics through Augmented Reality

ERIC Educational Resources Information Center

Salinas, Patricia; Pulido, Ricardo

2017-01-01

This paper discusses the production of a digital environment to foster the learning of conics through augmented reality. The name conic refers to curves obtained by the intersection of a plane with a right circular conical surface. The environment gives students the opportunity to interact with the cone and the plane as virtual objects in real…

Anomalous Symmetries Of The Rovibrational Levels of HO2: Consequences Of A Conical Intersection

NASA Technical Reports Server (NTRS)

Barclay, V. J.; Dateo, C. E.; Hamilton, I. P.; Kendrick, B.; Pack, R. T.; Schwenke, D. W.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

We show that the geometric phase arising from a conical intersection of the lowest potential energy surfaces of HO2 causes its bending vibrational wavefunctions to be double valued, which allows them to be locally symmetric on one side of the intersection and locally antisymmetric on the other. The material of the proposed publication was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

A comparative study of methods for describing non-adiabatic coupling: diabatic representation of the 1Sigma +/1Pi HOH and HHO conical intersections

NASA Astrophysics Data System (ADS)

Dobbyn, Abigail J.; Knowles, Peter J.

A number of established techniques for obtaining diabatic electronic states in small molecules are critically compared for the example of the X and B states in the water molecule, which contribute to the two lowest-energy conical intersections. Integration of the coupling matrix elements and analysis of configuration mixing coefficients both produce reliable diabatic states globally. Methods relying on diagonalization of dipole moment and angular momentum operators are shown to fail in large regions of coordinate space. However, the use of transition angular momentum matrix elements involving the A state, which is degenerate with B at the conical intersections, is successful globally, provided that an appropriate choice of coordinates is made. Long range damping of non-adiabatic coupling to give correct asymptotic mixing angles also is investigated.

A Multireference Configuration Interaction Study of the Photodynamics of Nitroethylene

PubMed Central

2014-01-01

Extended multireference configuration interaction with singles and doubles (MR-CISD) calculations of nitroethylene (H2C=CHNO2) were carried out to investigate the photodynamical deactivation paths to the ground state. The ground (S0) and the first five valence excited electronic states (S1–S5) were investigated. In the first step, vertical excitations and potential energy curves for CH2 and NO2 torsions and CH2 out-of-plane bending starting from the ground state geometry were computed. Afterward, five conical intersections, one between each pair of adjacent states, were located. The vertical calculations mostly confirm the previous assignment of experimental spectrum and theoretical results using lower-level calculations. The conical intersections have as main features the torsion of the CH2 moiety, different distortions of the NO2 group and CC, CN, and NO bond stretchings. In these conical intersections, the NO2 group plays an important role, also seen in excited state investigations of other nitro molecules. Based on the conical intersections found, a photochemical nonradiative deactivation process after a π–π* excitation to the bright S5 state is proposed. In particular, the possibility of NO2 release in the ground state, an important property in nitro explosives, was found to be possible. PMID:25158277

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.

Different conical intersections control nonadiabatic photochemistry of fluorene light-driven molecular rotary motor: A CASSCF and spin-flip DFT study

NASA Astrophysics Data System (ADS)

Li, Yuanying; Liu, Fengyi; Wang, Bin; Su, Qingqing; Wang, Wenliang; Morokuma, Keiji

2016-12-01

We report the light-driven isomerization mechanism of a fluorene-based light-driven rotary motor (corresponding to Feringa's 2nd generation rotary motor, [M. M. Pollard et al., Org. Biomol. Chem. 6, 507-512 (2008)]) at the complete active space self-consistent field (CASSCF) and spin-flip time-dependent density functional theory (TDDFT) (SFDFT) levels, combined with the complete active space second-order perturbation theory (CASPT2) single-point energy corrections. The good consistence between the SFDFT and CASSCF results confirms the capability of SFDFT in investigating the photoisomerization step of the light-driven molecular rotary motor, and proposes the CASPT2//SFDFT as a promising and effective approach in exploring photochemical processes. At the mechanistic aspect, for the fluorene-based motor, the S1/S0 minimum-energy conical intersection (MECIs) caused by pyramidalization of a fluorene carbon have relatively low energies and are easily accessible by the reactive molecule evolution along the rotary reaction path; therefore, the fluorene-type MECIs play the dominant role in nonadiabatic decay, as supported by previous experimental and theoretical works. Comparably, the other type of MECIs that results from pyramidalization of an indene carbon, which has been acting as the dominant nonadiabatic decay channel in the stilbene motor, is energetically inaccessible, thus the indene-type MECIs are "missing" in previous mechanistic studies including molecular dynamic simulations. A correlation between the geometric and electronic factors of MECIs and that of the S1 energy profile along the C═C rotary coordinate was found. The findings in current study are expected to deepen the understanding of nonadiabatic transition in the light-driven molecular rotary motor and provide insights into mechanistic tuning of their performance.

QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor.

PubMed

Wang, Lingling; Huan, Guo; Momen, Roya; Azizi, Alireza; Xu, Tianlv; Kirk, Steven R; Filatov, Michael; Jenkins, Samantha

2017-06-29

A quantum theory of atoms in molecules (QTAIM) and stress tensor analysis was applied to analyze intramolecular interactions influencing the photoisomerization dynamics of a light-driven rotary molecular motor. For selected nonadiabatic molecular dynamics trajectories characterized by markedly different S 1 state lifetimes, the electron densities were obtained using the ensemble density functional theory method. The analysis revealed that torsional motion of the molecular motor blades from the Franck-Condon point to the S 1 energy minimum and the S 1 /S 0 conical intersection is controlled by two factors: greater numbers of intramolecular bonds before the hop-time and unusually strongly coupled bonds between the atoms of the rotor and the stator blades. This results in the effective stalling of the progress along the torsional path for an extended period of time. This finding suggests a possibility of chemical tuning of the speed of photoisomerization of molecular motors and related molecular switches by reshaping their molecular backbones to decrease or increase the degree of coupling and numbers of intramolecular bond critical points as revealed by the QTAIM/stress tensor analysis of the electron density. Additionally, the stress tensor scalar and vector analysis was found to provide new methods to follow the trajectories, and from this, new insight was gained into the behavior of the S 1 state in the vicinity of the conical intersection.

QM/MM studies on the excited-state relaxation mechanism of a semisynthetic dTPT3 base.

PubMed

Guo, Wei-Wei; Zhang, Teng-Shuo; Fang, Wei-Hai; Cui, Ganglong

2018-02-14

Semisynthetic alphabets can potentially increase the genetic information stored in DNA through the formation of unusual base pairs. Recent experiments have shown that near-visible-light irradiation of the dTPT3 chromophore could lead to the formation of a reactive triplet state and of singlet oxygen in high quantum yields. However, the detailed excited-state relaxation paths that populate the lowest triplet state are unclear. Herein, we have for the first time employed the QM(MS-CASPT2//CASSCF)/MM method to explore the spectroscopic properties and excited-state relaxation mechanism of the aqueous dTPT3 chromophore. On the basis of the results, we have found that (1) the S 2 ( 1 ππ*) state of dTPT3 is the initially populated excited singlet state upon near-visible light irradiation; and (2) there are two efficient relaxation pathways to populate the lowest triplet state, i.e. T 1 ( 3 ππ*). In the first one, the S 2 ( 1 ππ*) system first decays to the S 1 ( 1 nπ*) state near the S 2 /S 1 conical intersection, which is followed by an efficient S 1 → T 1 intersystem crossing process at the S 1 /T 1 crossing point; in the second one, an efficient S 2 → T 2 intersystem crossing takes place first, and then, the T 2 ( 3 nπ*) system hops to the T 1 ( 3 ππ*) state through an internal conversion process at the T 2 /T 1 conical intersection. Moreover, an S 2 /S 1 /T 2 intersection region is found to play a vital role in the excited-state relaxation. These new mechanistic insights help in understanding the photophysics and photochemistry of unusual base pairs.

Introducing Conics without Eccentricity

ERIC Educational Resources Information Center

Glaister, Elizabeth M.; Glaister, Paul

2006-01-01

This note provides a self-contained introduction to conics as loci of points equidistant from circles, lines and points, including a study of the loci of points equidistant from two circles, separated, intersecting or touching. (Contains 1 table and 8 figures.)

Cation dynamics of molecular Hydrogen in the presence of a strong laser field, preliminary results

NASA Astrophysics Data System (ADS)

Gatton, A.; Champenois, E.; Larsen, K.; Shivaram, N.; Bakhti, S.; Iskander, W.; Sievert, T.; Reedy, D.; Weller, M.; Williams, J. B.; Landers, A.; Weber, Th.

2017-04-01

We present preliminary results from a new 2-color laser+synchrotron Cold Target Recoil Ion Momentum Spectrometer (COLTRIMS) experiment in which we overlap a pulsed laser (1030 nm , 12 ps , 5 *1011 W / cm2) with light from beamline 10 . 0 . 1 (18 . 56 eV , 80 ps , 50 meV resolution) at the Advanced Light Source at Lawrence Berkeley National Lab. The data (absent the laser) shows asymmetric proton emission in the fragmenting hydrogen cation due to the retro-action of the photoelectron Coulomb potential, as reported recently by Waitz et al.. Preliminary analysis hints that this effect exists and may even be enhanced in the laser dressed states of the dissociating cation. Of even more interest, preliminary analysis hints at the signature of light induced conical intersections in the dissociation of the laser dressed hydrogen cations, as recently reported by Natan et al.. This research used the Advanced Light Source and was supported by DOE-BES under contract No. DE-AC02-05CH11231 and DE-FG02-86ER13491, the ALS Doctoral Fellowship in Residence, and the DFG and DAAD.

Role of electronic correlations in photoionization of NO2 in the vicinity of the 2A1/2B2 conical intersection.

PubMed

Brambila, Danilo S; Harvey, Alex G; Houfek, Karel; Mašín, Zdeněk; Smirnova, Olga

2017-08-02

We present the first ab initio multi-channel photoionization calculations for NO 2 in the vicinity of the 2 A 1 / 2 B 2 conical intersection, for a range of nuclear geometries, using our newly developed set of tools based on the ab initio multichannel R-matrix method. Electronic correlation is included in both the neutral and the scattering states of the molecule via configuration interaction. Configuration mixing is especially important around conical intersections and avoided crossings, both pertinent for NO 2 , and manifests itself via significant variations in photoelectron angular distributions. The method allows for a balanced and accurate description of the photoionization/photorecombination for a number of different ionic channels in a wide range of photoelectron energies up to 100 eV. Proper account of electron correlations is crucial for interpreting time-resolved signals in photoelectron spectroscopy and high harmonic generation (HHG) from polyatomic molecules.

Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone

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

Picconi, David; Grebenshchikov, Sergy Yu., E-mail: Sergy.Grebenshchikov@ch.tum.de

Photodissociation of ozone in the near UV is studied quantum mechanically in two excited electronic states coupled at a conical intersection located outside the Franck-Condon zone. The calculations, performed using recent ab initio PESs, provide an accurate description of the photodissociation dynamics across the Hartley/Huggins absorption bands. The observed photofragment distributions are reproduced in the two electronic dissociation channels. The room temperature absorption spectrum, constructed as a Boltzmann average of many absorption spectra of rotationally excited parent ozone, agrees with experiment in terms of widths and intensities of diffuse structures. The exit channel conical intersection contributes to the coherent broadeningmore » of the absorption spectrum and directly affects the product vibrational and translational distributions. The photon energy dependences of these distributions are strikingly different for fragments created along the adiabatic and the diabatic paths through the intersection. They can be used to reverse engineer the most probable geometry of the non-adiabatic transition. The angular distributions, quantified in terms of the anisotropy parameter β, are substantially different in the two channels due to a strong anticorrelation between β and the rotational angular momentum of the fragment O{sub 2}.« less

Conical intersection seams in polyenes derived from their chemical composition

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

Nenov, Artur; Vivie-Riedle, Regina de

2012-08-21

The knowledge of conical intersection seams is important to predict and explain the outcome of ultrafast reactions in photochemistry and photobiology. They define the energetic low-lying reachable regions that allow for the ultrafast non-radiative transitions. In complex molecules it is not straightforward to locate them. We present a systematic approach to predict conical intersection seams in multifunctionalized polyenes and their sensitivity to substituent effects. Included are seams that facilitate the photoreaction of interest as well as seams that open competing loss channels. The method is based on the extended two-electron two-orbital method [A. Nenov and R. de Vivie-Riedle, J. Chem.more » Phys. 135, 034304 (2011)]. It allows to extract the low-lying regions for non-radiative transitions, which are then divided into small linear segments. Rules of thumb are introduced to find the support points for these segments, which are then used in a linear interpolation scheme for a first estimation of the intersection seams. Quantum chemical optimization of the linear interpolated structures yields the final energetic position. We demonstrate our method for the example of the electrocyclic isomerization of trifluoromethyl-pyrrolylfulgide.« less

Nature's optics and our understanding of light

NASA Astrophysics Data System (ADS)

Berry, M. V.

2015-01-01

Optical phenomena visible to everyone have been central to the development of, and abundantly illustrate, important concepts in science and mathematics. The phenomena considered from this viewpoint are rainbows, sparkling reflections on water, mirages, green flashes, earthlight on the moon, glories, daylight, crystals and the squint moon. And the concepts involved include refraction, caustics (focal singularities of ray optics), wave interference, numerical experiments, mathematical asymptotics, dispersion, complex angular momentum (Regge poles), polarisation singularities, Hamilton's conical intersections of eigenvalues ('Dirac points'), geometric phases and visual illusions.

Observation of trapped light induced by Dwarf Dirac-cone in out-of-plane condition for photonic crystals

NASA Astrophysics Data System (ADS)

Majumder, Subir; Biswas, Tushar; Bhadra, Shaymal K.

2016-10-01

Existence of out-of-plane conical dispersion for a triangular photonic crystal lattice is reported. It is observed that conical dispersion is maintained for a number of out-of-plane wave vectors (k z ). We study a case where Dirac like linear dispersion exists but the photonic density of states is not vanishing, called Dwarf Dirac cone (DDC) which does not support localized modes. We demonstrate the trapping of such modes by introducing defects in the crystal. Interestingly, we find by k-point sampling as well as by tuning trapped frequency that such a conical dispersion has an inherent light confining property and it is governed by neither of the known wave confining mechanisms like total internal reflection, band gap guidance. Our study reveals that such a conical dispersion in a non-vanishing photonic density of states induces unexpected intense trapping of light compared with those at other points in the continuum. Such studies provoke fabrication of new devices with exciting properties and new functionalities. Project supported by Director, CSIR-CGCRI, the DST, Government of India, and the CSIR 12th Plan Project (GLASSFIB), India.

New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes.

PubMed

Mendive-Tapia, David; Perrier, Aurélie; Bearpark, Michael J; Robb, Michael A; Lasorne, Benjamin; Jacquemin, Denis

2014-09-14

The photochromic properties of diarylethenes, some of the most studied class of molecular switches, are known to be controlled by non-adiabatic decay at a conical intersection seam. Nevertheless, as their fatigue-reaction mechanism - leading to non-photochromic products - is yet to be understood, we investigate the photo-chemical formation of the so-called by-product isomer using three complementary computational methods (MMVB, CASSCF and CASPT2) on three model systems of increasing complexity. We show that for the ring-opening reaction a transition state on S1(2A) involving bond breaking of the penta-ring leads to a low energy S1(2A)/S0(1A) conical intersection seam, which lies above one of the transition states leading to the by-product isomer on the ground state. Therefore, radiationless decay and subsequent side-product formation can take place explaining the photo-degradation responsible for the by-product generation in diarylethene-type molecules. The effect of dynamic electron correlation and the possible role of inter-system crossing along the penta-ring opening coordinate are discussed as well.

Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

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

Kowalewski, Markus, E-mail: mkowalew@uci.edu; Mukamel, Shaul, E-mail: smukamel@uci.edu

2015-07-28

Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.

Conical refraction of elastic waves in absorbing crystals

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

Alshits, V. I., E-mail: alshits@ns.crys.ras.ru; Lyubimov, V. N.

2011-10-15

The absorption-induced acoustic-axis splitting in a viscoelastic crystal with an arbitrary anisotropy is considered. It is shown that after 'switching on' absorption, the linear vector polarization field in the vicinity of the initial degeneracy point having an orientation singularity with the Poincare index n = {+-}1/2, transforms to a planar distribution of ellipses with two singularities n = {+-}1/4 corresponding to new axes. The local geometry of the slowness surface of elastic waves is studied in the vicinity of new degeneracy points and a self-intersection line connecting them. The absorption-induced transformation of the classical picture of conical refraction is studied.more » The ellipticity of waves at the edge of the self-intersection wedge in a narrow interval of propagation directions drastically changes from circular at the wedge ends to linear in the middle of the wedge. For the wave normal directed to an arbitrary point of this wedge, during movement of the displacement vector over the corresponding polarization ellipse, the wave ray velocity s runs over the same cone describing refraction in a crystal without absorption. In this case, the end of the vector moves along a universal ellipse whose plane is orthogonal to the acoustic axis for zero absorption. The areal velocity of this movement differs from the angular velocity of the displacement vector on the polarization ellipse only by a constant factor, being delayed by {pi}/2 in phase. When the wave normal is localized at the edge of the wedge in its central region, the movement of vector s along the universal ellipse becomes drastically nonuniform and the refraction transforms from conical to wedge-like.« less

Dynamics starting at a conical intersection: Application to the photochemistry of pyrrole

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

Sellner, Bernhard; Barbatti, Mario; Lischka, Hans

The photochemical ring opening process in pyrrole has been investigated by performing classical on-the-fly dynamics using the multiconfiguration self-consistent field method for the computation of energies and energy gradients. As starting point for the dynamics the conical intersection corresponding to the ring-puckered ring-opened structure, determined previously [Barbatti et al., J. Chem. Phys. 125, 164323 (2006)], has been chosen. Two sets of initial conditions for the nuclear velocities were constructed: (i) nuclear velocities in the branching (g,h) plane of the conical intersection and (ii) statistical distribution for all atoms. Both sets of initial conditions show very similar results. Reactive trajectories aremore » only found in a very limited sector in the (g,h) plane and reaction products are very similar. Within the simulation time of 1 ps, ring opening of pyrrole to the biradical NH=CH-CH-CH=CH chain followed by ring closure to a substituted cyclopropene structure (NH=CH-C{sub 3}H{sub 3}) is observed. The computed structural data correlate well with the experimentally observed dissociation products.« less

Photochemistry and photophysics of the amino and imino tautomers of 1-methylcytosine: tautomerisation as a side product of the radiationless decay.

PubMed

Li, Quansong; Blancafort, Lluís

2013-08-01

The photochemistry and photophysics of the amino-oxo (AO) and imino-oxo (IO) tautomers of 1-methylcytosine are investigated with ab initio calculations, using the CASPT2//CASSCF approach. Our aim is to rationalize recent experimental results which show that the AO tautomer has an excited state lifetime of about 1 ps, similar to cytosine (J.-W. Ho, H.-C. Yen, W.-K. Chou, C.-N. Weng, L.-H. Cheng, H.-Q. Shi, S.-H. Lai and P.-Y. Cheng, J. Phys. Chem. A, 2011, 115, 8406-8418), and that irradiation with wavelengths shorter than 308 nm induces the AO→IO tautomerization (I. Reva, M. J. Nowak, L. Lapinski and R. Fausto, J. Phys. Chem. B, 2012, 116, 5703-5710). For the canonical AO tautomer we find two analogous decay mechanisms to those described previously for cytosine, involving a conical intersection of ethylenic type and one where the amino group is bent out of plane. Decay through these intersections provides an unreactive return path to the AO ground state species. More importantly, we have identified new decay paths that lead from the two intersections to the trans-IO tautomer, without a barrier. These paths provide the possibility of forming the IO tautomer, presumably in small yields, as a side product of the radiationless decay. Thus, we have established for the first time computationally the mechanism of the UV-induced tautomerization, which is compatible with the well-established decay mechanism for cytosine. For the IO tautomer, we also find a mechanism for the excited state interconversion of the cis and trans forms and for efficient radiationless decay through a conical intersection where the imino group is perpendicular to the ring and bent out of the plane. These results are likely to be valid also for cytosine.

Population branching in the conical intersection of the retinal chromophore revealed by multipulse ultrafast optical spectroscopy.

PubMed

Zgrablić, Goran; Novello, Anna Maria; Parmigiani, Fulvio

2012-01-18

The branching ratio of the excited-state population at the conical intersection between the S(1) and S(0) energy surfaces (Φ(CI)) of a protonated Schiff base of all-trans retinal in protic and aprotic solvents was studied by multipulse ultrafast transient absorption spectroscopy. In particular, pump-dump-probe experiments allowed to isolate the S(1) reactive state and to measure the photoisomerization time constant with unprecedented precision. Starting from these results, we demonstrate that the polarity of the solvent is the key factor influencing the Φ(CI) and the photoisomerization yield. © 2011 American Chemical Society

Evolution of electron density towards the conical intersection of a nucleic acid purine

NASA Astrophysics Data System (ADS)

Gutiérrez-Arzaluz, Luis; Ramírez-Palma, David; Buitrón-Cabrera, Frida; Rocha-Rinza, Tomás; Cortés-Guzmán, Fernando; Peon, Jorge

2017-09-01

We analyzed the evolution of the electron density across the S0 and S1 states potential energy curves of hypoxanthine (Hx) using the Quantum Theory of Atoms in Molecules (QTAIM). Examination of QTAIM energies and electronic populations indicates that charge transfer processes are important in the stabilization of the S1 state towards the Conical Intersection (CI) which confers to Hx its photostability. Our results point that the rise of energy of the S0 state approaching the CI is accompanied by a loss of aromaticity of hypoxanthine. Overall, the analyses presented herein give important insights on the photostability of nucleobases.

Light-induced nonadiabatic dynamics in molecular assemblies and nanostructures

NASA Astrophysics Data System (ADS)

Mitric, Roland

The combination of mixed quantum-classical dynamics with efficient electronic structure methods was developed in order to simulate the light-induced processes in complex molecules, multichromophoric aggregates and metallic nanostructures. We will demonstrate how the combination of nonadiabatic dynamics with experimental pump-probe techniques such as time-resolved photoelectron imaging (TRPEI) allows to fully resolve the mechanism of excited state relaxation through conical intersections in several prototype organic- and biomolecules. Specifically, the role of the solvent in the excited state relaxation in microsolvated and fully solvated systems will be addressed. Currently there is growing evidence that nonadiabatic relaxation processes also play a fundamental role in determining the efficiency of excitonic transfer or charge injection in multichromophoric assemblies. Since such systems are currently out of the reach of the state-of-the-art quantum chemistry a development of even more efficient quantum chemical approaches is necessary in order to describe the excited state dynamics in such assemblies. For this purpose we have recently developed long-range corrected time-dependent density functional tight binding (LC-TDDFTB) nonadiabatic dynamics and combined it with the QM/MM approach in order to simulate exciton relaxation in complex systems. The applications of the method to the investigation of the optical properties and dynamics in multichromophoric assemblies including stacked pi-conjugated organic chromophores, model molecular crystals as well as self-organized dye aggregates will be presented. Finally, we will address exciton transport dynamics coupled with the light propagation in hybrid exciton-plasmon nanostructures, which represent promising materials fort the development of novel light-harvesting systems.

Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry

NASA Astrophysics Data System (ADS)

Bera, Anupam; Ghosh, Jayanta; Bhattacharya, Atanu

2017-07-01

Conical intersections are now firmly established to be the key features in the excited electronic state processes of polyatomic energetic molecules. In the present work, we have explored conical intersection-mediated nonadiabatic chemical dynamics of a simple analogue nitramine molecule, dimethylnitramine (DMNA, containing one N-NO2 energetic group), and its complex with an iron atom (DMNA-Fe). For this task, we have used the ab initio multiple spawning (AIMS) dynamics simulation at the state averaged-complete active space self-consistent field(8,5)/6-31G(d) level of theory. We have found that DMNA relaxes back to the ground (S0) state following electronic excitation to the S1 excited state [which is an (n,π*) excited state] with a time constant of approximately 40 fs. This AIMS result is in very good agreement with the previous surface hopping-result and femtosecond laser spectroscopy result. DMNA does not dissociate during this fast internal conversion from the S1 to the S0 state. DMNA-Fe also undergoes extremely fast relaxation from the upper S1 state to the S0 state; however, this relaxation pathway is dissociative in nature. DMNA-Fe undergoes initial Fe-O, N-O, and N-N bond dissociations during relaxation from the upper S1 state to the ground S0 state through the respective conical intersection. The AIMS simulation reveals the branching ratio of these three channels as N-N:Fe-O:N-O = 6:3:1 (based on 100 independent simulations). Furthermore, the AIMS simulation reveals that the Fe-O bond dissociation channel exhibits the fastest (time constant 24 fs) relaxation, while the N-N bond dissociation pathway features the slowest (time constant 128 fs) relaxation. An intermediate time constant (30 fs) is found for the N-O bond dissociation channel. This is the first nonadiabatic chemical dynamics study of metal-contained energetic molecules through conical intersections.

Diabatic models with transferrable parameters for generalized chemical reactions

NASA Astrophysics Data System (ADS)

Reimers, Jeffrey R.; McKemmish, Laura K.; McKenzie, Ross H.; Hush, Noel S.

2017-05-01

Diabatic models applied to adiabatic electron-transfer theory yield many equations involving just a few parameters that connect ground-state geometries and vibration frequencies to excited-state transition energies and vibration frequencies to the rate constants for electron-transfer reactions, utilizing properties of the conical-intersection seam linking the ground and excited states through the Pseudo Jahn-Teller effect. We review how such simplicity in basic understanding can also be obtained for general chemical reactions. The key feature that must be recognized is that electron-transfer (or hole transfer) processes typically involve one electron (hole) moving between two orbitals, whereas general reactions typically involve two electrons or even four electrons for processes in aromatic molecules. Each additional moving electron leads to new high-energy but interrelated conical-intersection seams that distort the shape of the critical lowest-energy seam. Recognizing this feature shows how conical-intersection descriptors can be transferred between systems, and how general chemical reactions can be compared using the same set of simple parameters. Mathematical relationships are presented depicting how different conical-intersection seams relate to each other, showing that complex problems can be reduced into an effective interaction between the ground-state and a critical excited state to provide the first semi-quantitative implementation of Shaik’s “twin state” concept. Applications are made (i) demonstrating why the chemistry of the first-row elements is qualitatively so different to that of the second and later rows, (ii) deducing the bond-length alternation in hypothetical cyclohexatriene from the observed UV spectroscopy of benzene, (iii) demonstrating that commonly used procedures for modelling surface hopping based on inclusion of only the first-derivative correction to the Born-Oppenheimer approximation are valid in no region of the chemical parameter space, and (iv), demonstrating the types of chemical reactions that may be suitable for exploitation as a chemical qubit in some quantum information processor.

Effective light absorption and its enhancement factor for silicon nanowire-based solar cell.

PubMed

Duan, Zhiqiang; Li, Meicheng; Mwenya, Trevor; Fu, Pengfei; Li, Yingfeng; Song, Dandan

2016-01-01

Although nanowire (NW) antireflection coating can enhance light trapping capability, which is generally used in crystal silicon (CS) based solar cells, whether it can improve light absorption in the CS body depends on the NW geometrical shape and their geometrical parameters. In order to conveniently compare with the bare silicon, two enhancement factors E(T) and E(A) are defined and introduced to quantitatively evaluate the efficient light trapping capability of NW antireflective layer and the effective light absorption capability of CS body. Five different shapes (cylindrical, truncated conical, convex conical, conical, and concave conical) of silicon NW arrays arranged in a square are studied, and the theoretical results indicate that excellent light trapping does not mean more light can be absorbed in the CS body. The convex conical NW has the best light trapping, but the concave conical NW has the best effective light absorption. Furthermore, if the cross section of silicon NW is changed into a square, both light trapping and effective light absorption are enhanced, and the Eiffel Tower shaped NW arrays have optimal effective light absorption.

Exciplexes and conical intersections lead to fluorescence quenching in π-stacked dimers of 2-aminopurine with natural purine nucleobases†

PubMed Central

Liang, JingXin; Nguyen, Quynh L.; Matsika, Spiridoula

2016-01-01

Fluorescent analogues of the natural DNA bases are useful in the study of nucleic acids’ structure and dynamics. 2-Aminopurine (2AP) is a widely used analogue with environmentally sensitive fluorescence behavior. The quantum yield of 2AP has been found to be significantly decreased when engaged in π-stacking interactions with the native bases. We present a theoretical study on fluorescence quenching mechanisms in dimers of 2AP π-stacked with adenine or guanine as in natural DNA. Relaxation pathways on the potential energy surfaces of the first excited states have been computed and reveal the importance of exciplexes and conical intersections in the fluorescence quenching process. PMID:23625036

Conical intersections of free energy surfaces in solution: Effect of electron correlation on a protonated Schiff base in methanol solution

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

Mori, Toshifumi; Nakano, Katsuhiro; Kato, Shigeki

2010-08-14

The minimum energy conical intersection (MECI) optimization method with taking account of the dynamic electron correlation effect [T. Mori and S. Kato, Chem. Phys. Lett. 476, 97 (2009)] is extended to locate the MECI of nonequilibrium free energy surfaces in solution. A multistate electronic perturbation theory is introduced into the nonequilibrium free energy formula, which is defined as a function of solute and solvation coordinates. The analytical free energy gradient and interstate coupling vectors are derived, and are applied to locate MECIs in solution. The present method is applied to study the cis-trans photoisomerization reaction of a protonated Schiff basemore » molecule (PSB3) in methanol (MeOH) solution. It is found that the effect of dynamic electron correlation largely lowers the energy of S{sub 1} state. We also show that the solvation effect strongly stabilizes the MECI obtained by twisting the terminal C=N bond to become accessible in MeOH solution, whereas the conical intersection is found to be unstable in gas phase. The present study indicates that both electron correlation and solvation effects are important in the photoisomerization reaction of PSB3. The effect of counterion is also examined, and seems to be rather small in solution. The structures of free energy surfaces around MECIs are also discussed.« less

The Harper–Hofstadter Hamiltonian and conical diffraction in photonic lattices with grating assisted tunneling

DOE PAGES

Dubček, Tena; Lelas, Karlo; Jukić, Dario; ...

2015-12-07

Here we propose the realization of a grating assisted tunneling scheme for tunable synthetic magnetic fields in optically induced one- and two-dimensional dielectric photonic lattices. As a signature of the synthetic magnetic fields, we demonstrate conical diffraction patterns in particular realization of these lattices, which possess Dirac points in k-space. Lastly, we compare the light propagation in these realistic (continuous) systems with the evolution in discrete models representing the Harper-Hofstadter Hamiltonian, and obtain excellent agreement.

State selectivity and dynamics in dissociative electron attachment to CF₃I revealed through velocity slice imaging.

PubMed

Ómarsson, Frímann H; Mason, Nigel J; Krishnakumar, E; Ingólfsson, Oddur

2014-11-03

In light of its substantially more environmentally friendly nature, CF3I is currently being considered as a replacement for the highly potent global-warming gas CF4, which is used extensively in plasma processing. In this context, we have studied the electron-driven dissociation of CF3I to form CF3(-) and I, and we compare this process to the corresponding photolysis channel. By using the velocity slice imaging (VSI) technique we can visualize the complete dynamics of this process and show that electron-driven dissociation proceeds from the same initial parent state as the corresponding photolysis process. However, in contrast to photolysis, which leads nearly exclusively to the (2)P(1/2) excited state of iodine, electron-induced dissociation leads predominantly to the (2)P(3/2) ground state. We believe that the changed spin state of the negative ion allows an adiabatic dissociation through a conical intersection, whereas this path is efficiently repressed by a required spin flip in the photolysis process. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sub-500 fs electronically nonadiabatic chemical dynamics of energetic molecules from the S1 excited state: Ab initio multiple spawning study

NASA Astrophysics Data System (ADS)

Ghosh, Jayanta; Gajapathy, Harshad; Konar, Arindam; Narasimhaiah, Gowrav M.; Bhattacharya, Atanu

2017-11-01

Energetic materials store a large amount of chemical energy. Different ignition processes, including laser ignition and shock or compression wave, initiate the energy release process by first promoting energetic molecules to the electronically excited states. This is why a full understanding of initial steps of the chemical dynamics of energetic molecules from the excited electronic states is highly desirable. In general, conical intersection (CI), which is the crossing point of multidimensional electronic potential energy surfaces, is well established as a controlling factor in the initial steps of chemical dynamics of energetic molecules following their electronic excitations. In this article, we have presented different aspects of the ultrafast unimolecular relaxation dynamics of energetic molecules through CIs. For this task, we have employed ab initio multiple spawning (AIMS) simulation using the complete active space self-consistent field (CASSCF) electronic wavefunction and frozen Gaussian-based nuclear wavefunction. The AIMS simulation results collectively reveal that the ultrafast relaxation step of the best energetic molecules (which are known to exhibit very good detonation properties) is completed in less than 500 fs. Many, however, exhibit sub-50 fs dynamics. For example, nitro-containing molecules (including C-NO2, N-NO2, and O-NO2 active moieties) relax back to the ground state in approximately 40 fs through similar (S1/S0)CI conical intersections. The N3-based energetic molecule undergoes the N2 elimination process in 40 fs through the (S1/S0)CI conical intersection. Nitramine-Fe complexes exhibit sub-50 fs Fe-O and N-O bond dissociation through the respective (S1/S0)CI conical intersection. On the other hand, tetrazine-N-oxides, which are known to exhibit better detonation properties than tetrazines, undergo internal conversion in a 400-fs time scale, while the relaxation time of tetrazine is very long (about 100 ns). Many other characteristics of sub-500 fs nonadiabatic decay of energetic molecules are discussed. In the end, many unresolved issues associated with the ultrafast nonadiabatic chemical dynamics of energetic molecules are presented.

Multi-State Vibronic Interactions in Fluorinated Benzene Radical Cations.

NASA Astrophysics Data System (ADS)

Faraji, S.; Köppel, H.

2009-06-01

Conical intersections of potential energy surfaces have emerged as paradigms for signalling strong nonadiabatic coupling effects. An important class of systems where some of these effects have been analyzed in the literature, are the benzene and benzenoid cations, where the electronic structure, spectroscopy, and dynamics have received great attention in the literature. In the present work a brief overview is given over our theoretical treatments of multi-mode and multi-state vibronic interactions in the benzene radical cation and some of its fluorinated derivatives. The fluorobenzene derivatives are of systematic interest for at least two different reasons. (1) The reduction of symmetry by incomplete fluorination leads to a disappearance of the Jahn-Teller effect present in the parent cation. (2) A specific, more chemical effect of fluorination consists in the energetic increase of the lowest σ-type electronic states of the radical cations. The multi-mode multi-state vibronic interactions between the five lowest electronic states of the fluorobenzene radical cations are investigated theoretically, based on ab initio electronic structure data, and employing the well-established linear vibronic coupling model, augmented by quadratic coupling terms for the totally symmetric vibrational modes. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of tilde{X}-tilde{A} and tilde{B}-tilde{C}-tilde{D} cationic states, while the interactions between these two sets of states are found to be weaker and depend on the particular isomer. This is attributed to the different location of the minima of the various conical intersections occurring in these systems. Wave-packet dynamical simulations for these coupled potential energy surfaces, utilizing the powerful multi-configuration time-dependent Hartree method are performed. Ultrafast internal conversion processes and the analysis of the MATI and photo-electron spectra shed new light on the spectroscopy and fluorescence dynamics of these species. W. Domcke, D. R. Yarkony, and H. Köppel, Advanced Series in Physical Chemistry, World Scientific, Singapore (2004). M. H. Beck and A. Jäckle and G. A. Worth and H. -D. Meyer, Phys. Rep. 324, 1 (2000). S. Faraji, H. Köppel, (Part I) ; S. Faraji, H. Köppel, H.-D. Meyer, (Part II) J. Chem. Phys. 129, 074310 (2008).

Toward a general theory of conical intersections in systems of identical nuclei

NASA Astrophysics Data System (ADS)

Keating, Sean P.; Mead, C. Alden

1987-02-01

It has been shown previously that the Herzberg-Longuet-Higgins sign change produced in Born-Oppenheimer electronic wave functions when the nuclei traverse a closed path around a conical intersection has implications for the symmetry of wave functions under permutations of identical nuclei. For systems of three or four identical nuclei, there are special features present which have facilitated the detailed analysis. The present paper reports progress toward a general theory for systems of n nuclei. For n=3 or 4, the two key functions which locate conical intersections and define compensating phase factors can conveniently be defined so as to transform under permutations according to a two-dimensional irreducible representation of the permutation group. Since such representations do not exist for n>4, we have chosen to develop a formalism in terms of lab-fixed electronic basis functions, and we show how to define the two key functions in principle. The functions so defined both turn out to be totally symmetric under permutations. We show how they can be used to define compensating phase factors so that all modified electronic wave functions are either totally symmetric or totally antisymmetric under permutations. A detailed analysis is made to cyclic permutations in the neighborhood of Dnh symmetry, which can be extended by continuity arguments to more general configurations, and criteria are obtained for sign changes. There is a qualitative discussion of the treatment of more general permutations.

Omnidirectional structured light in a flexible configuration.

PubMed

Paniagua, Carmen; Puig, Luis; Guerrero, José J

2013-10-14

Structured light is a perception method that allows us to obtain 3D information from images of the scene by projecting synthetic features with a light emitter. Traditionally, this method considers a rigid configuration, where the position and orientation of the light emitter with respect to the camera are known and calibrated beforehand. In this paper we propose a new omnidirectional structured light system in flexible configuration, which overcomes the rigidness of the traditional structured light systems. We propose the use of an omnidirectional camera combined with a conic pattern light emitter. Since the light emitter is visible in the omnidirectional image, the computation of its location is possible. With this information and the projected conic in the omnidirectional image, we are able to compute the conic reconstruction, i.e., the 3D information of the conic in the space. This reconstruction considers the recovery of the depth and orientation of the scene surface where the conic pattern is projected. One application of our proposed structured light system in flexible configuration consists of a wearable omnicamera with a low-cost laser in hand for visual impaired personal assistance.

Absence of internal conical refraction with the spatially dispersive index surface of fluorine; discussion of the orthogonality of the Poynting vector to the index surface.

PubMed

Dettwiller, Luc

2006-04-17

Since 2001 the intrinsic birefringence of fluorine has been accessible to experiment. It is known that its intrinsic anisotropy is entirely due to spatial dispersion, and that the index surface of fluorine and crystals with the same symmetry has seven optical axes, four of them intersecting this surface at pairs of conical points. I point out the fact that there is no internal conical refraction, but only simple refraction (and without walkoff), with these conical points. I also explain why the rays are not a priori normal to the index surface in the case of fluorine because of its spatial dispersion; and I discuss two particular cases of spatial dispersion where the Poynting vector remains orthogonal to the index surface.

Holographic studies of shock waves within transonic fan rotors

NASA Technical Reports Server (NTRS)

Benser, W. A.; Bailey, E. E.; Gelder, T. F.

1974-01-01

NASA has funded two separate contracts to apply pulsed laser holographic interferometry to the detection of shock patterns in the outer span regions of high tip speed transonic rotors. The first holographic approach used ruby laser light reflected from a portion of the centerbody just ahead of the rotor. These holograms showed the bow wave patterns upstream of the rotor and the shock patterns just inside the blade row near the tip. The second holographic approach, on a different rotor, used light transmitted diagonally across the inlet annulus past the centerbody. This approach gave a more extensive view of the region bounded by the blade leading and trailing edges, by the part span shroud and by the blade tip. These holograms showed the passage shock emanating from the blade leading edge and a moderately strong conical shock originating at the intersection of the part span shroud leading edge and the blade suction surface.

Determining partial differential cross sections for low-energy electron photodetachment involving conical intersections using the solution of a Lippmann-Schwinger equation constructed with standard electronic structure techniques.

PubMed

Han, Seungsuk; Yarkony, David R

2011-05-07

A method for obtaining partial differential cross sections for low energy electron photodetachment in which the electronic states of the residual molecule are strongly coupled by conical intersections is reported. The method is based on the iterative solution to a Lippmann-Schwinger equation, using a zeroth order Hamiltonian consisting of the bound nonadiabatically coupled residual molecule and a free electron. The solution to the Lippmann-Schwinger equation involves only standard electronic structure techniques and a standard three-dimensional free particle Green's function quadrature for which fast techniques exist. The transition dipole moment for electron photodetachment, is a sum of matrix elements each involving one nonorthogonal orbital obtained from the solution to the Lippmann-Schwinger equation. An expression for the electron photodetachment transition dipole matrix element in terms of Dyson orbitals, which does not make the usual orthogonality assumptions, is derived.

Dynamical correlation effects on photoisomerization: Ab initio multiple spawning dynamics with MS-CASPT2 for a model trans-protonated Schiff base

DOE PAGES

Liu, Lihong; Liu, Jian; Martinez, Todd J.

2015-12-17

Here, we investigate the photoisomerization of a model retinal protonated Schiff base (trans-PSB3) using ab initio multiple spawning (AIMS) based on multi-state second order perturbation theory (MSPT2). Discrepancies between the photodynamical mechanism computed with three-root state-averaged complete active space self-consistent field (SA-3-CASSCF, which does not include dynamic electron correlation effects) and MSPT2 show that dynamic correlation is critical in this photoisomerization reaction. Furthermore, we show that the photodynamics of trans-PSB3 is not well described by predictions based on minimum energy conical intersections (MECIs) or minimum energy conical intersection (CI) seam paths. Instead, most of the CIs involved in the photoisomerizationmore » are far from MECIs and minimum energy CI seam paths. Thus, both dynamical nuclear effects and dynamic electron correlation are critical to understanding the photochemical mechanism.« less

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method

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

Sun, Xiang; Geva, Eitan

2016-06-28

In this paper, we test the accuracy of the linearized semiclassical (LSC) expression for the equilibrium Fermi’s golden rule rate constant for electronic transitions in the presence of non-Condon effects. We do so by performing a comparison with the exact quantum-mechanical result for a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering: (1) A modified Garg-Onuchic-Ambegaokar modelmore » for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions. The comparison is performed over a wide range of frictions and temperatures for model (1) and over a wide range of temperatures for model (2). The linearized semiclassical method is found to reproduce the exact quantum-mechanical result remarkably well for both models over the entire range of parameters under consideration. In contrast, more approximate expressions are observed to deviate considerably from the exact result in some regions of parameter space.« less

Intralines of quasi-conical intersections on torsion planes: methylamine as a case study.

PubMed

Levi, C; Halász, G J; Vibók, A; Bar, I; Zeiri, Y; Kosloff, R; Baer, M

2009-06-18

Recently we reported on a novel feature associated with the intersection of the two lowest states (1)A' and (1)A'' of the methylamine (J. Chem. Phys. 2008, 128, 244302). We established the existence of a finite (closed) line of conical intersections (ci), namely, a finite seam, located in the HC-NHH symmetry plane, a line that is formed by moving a single hydrogen on that plane while locking the positions of the (six) other atoms. In the present article, this study is extended to the corresponding torsion planes formed by rotating the methyl group around the CN axis. The torsion planes, in contrast with the HC-NHH symmetry plane, do not satisfy the symmetry feature that enables the seam just mentioned. Nevertheless, the calculated nonadiabatic coupling terms (NACTs) resemble features similar to those encountered in the HC-NHH symmetry plane. Following a tedious numerical study supported by a theoretical model (Section III), it was verified that these NACTs may become similar to those on the symmetry plane, sometimes even to the level of almost no distinction, but lack one basic feature; namely, they are not singular and therefore do not form topological effects.

Conical Refraction: new observations and a dual cone model.

PubMed

Sokolovskii, G S; Carnegie, D J; Kalkandjiev, T K; Rafailov, E U

2013-05-06

We propose a paraxial dual-cone model of conical refraction involving the interference of two cones of light behind the exit face of the crystal. The supporting experiment is based on beam selecting elements breaking down the conically refracted beam into two separate hollow cones which are symmetrical with one another. The shape of these cones of light is a product of a 'competition' between the divergence caused by the conical refraction and the convergence due to the focusing by the lens. The developed mathematical description of the conical refraction demonstrates an excellent agreement with experiment.

Unambiguous Signature of the Berry Phase in Intense Laser Dissociation of Diatomic Molecules.

PubMed

Bouakline, Foudhil

2018-05-03

We report strong evidence of Berry phase effects in intense laser dissociation of D 2 + molecules, manifested as Aharonov-Bohm-like oscillations in the photofragment angular distribution (PAD). Our calculations show that this interference pattern strongly depends on the parity of the diatom initial rotational state, (-1) j . Indeed, the PAD local maxima (minima) observed in one case ( j odd) correspond to local minima (maxima) in the other case ( j even). Using simple topological arguments, we clearly show that such interference conversion is a direct signature of the Berry phase. The sole effect of the latter on the rovibrational wave function is a sign change of the relative phase between two interfering components, which wind in opposite senses around a light-induced conical intersection (LICI). Therefore, encirclement of the LICI leads to constructive ( j odd) or destructive ( j even) self-interference of the initial nuclear wavepacket in the dissociative limit. To corroborate our theoretical findings, we suggest an experiment of strong-field indirect dissociation of D 2 + molecules, comparing the PAD of the ortho and para molecular species in directions nearly perpendicular to the laser polarization axis.

Analytical Investigation of Elastic Thin-Walled Cylinder and Truncated Cone Shell Intersection Under Internal Pressure.

PubMed

Zamani, J; Soltani, B; Aghaei, M

2014-10-01

An elastic solution of cylinder-truncated cone shell intersection under internal pressure is presented. The edge solution theory that has been used in this study takes bending moments and shearing forces into account in the thin-walled shell of revolution element. The general solution of the cone equations is based on power series method. The effect of cone apex angle on the stress distribution in conical and cylindrical parts of structure is investigated. In addition, the effect of the intersection and boundary locations on the circumferential and longitudinal stresses is evaluated and it is shown that how quantitatively they are essential.

Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method

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

Sun, Xiang; Geva, Eitan

2016-08-14

The nonequilibrium Fermi’s golden rule describes the transition between a photoexcited bright donor electronic state and a dark acceptor electronic state, when the nuclear degrees of freedom start out in a nonequilibrium state. In a previous paper [X. Sun and E. Geva, J. Chem. Theory Comput. 12, 2926 (2016)], we proposed a new expression for the nonequilibrium Fermi’s golden rule within the framework of the linearized semiclassical approximation and based on the Condon approximation, according to which the electronic coupling between donor and acceptor is assumed constant. In this paper we propose a more general expression, which is applicable tomore » the case of non-Condon electronic coupling. We test the accuracy of the new non-Condon nonequilibrium Fermi’s golden rule linearized semiclassical expression on a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering the following: (1) A modified Garg-Onuchic-Ambegaokar model for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary-mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions, in both normal and inverted regions, and over a wide range of initial nonequilibrium states, temperatures, and frictions.« less

Initial mechanisms for the decomposition of electronically excited energetic materials: 1,5′-BT, 5,5′-BT, and AzTT

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

Yuan, Bing; Yu, Zijun; Bernstein, Elliot R., E-mail: erb@lamar.Colostate.edu

2015-03-28

Decomposition of nitrogen-rich energetic materials 1,5′-BT, 5,5′-BT, and AzTT (1,5′-Bistetrazole, 5,5′-Bistetrazole, and 5-(5-azido-(1 or 4)H-1,2,4-triazol-3-yl)tetrazole, respectively), following electronic state excitation, is investigated both experimentally and theoretically. The N{sub 2} molecule is observed as an initial decomposition product from the three materials, subsequent to UV excitation, with a cold rotational temperature (<30 K). Initial decomposition mechanisms for these three electronically excited materials are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) level illustrate that conical intersections play an essential role in the decomposition mechanism. Electronically excited S{sub 1} molecules can non-adiabatically relaxmore » to their ground electronic states through (S{sub 1}/S{sub 0}){sub CI} conical intersections. 1,5′-BT and 5,5′-BT materials have several (S{sub 1}/S{sub 0}){sub CI} conical intersections between S{sub 1} and S{sub 0} states, related to different tetrazole ring opening positions, all of which lead to N{sub 2} product formation. The N{sub 2} product for AzTT is formed primarily by N–N bond rupture of the –N{sub 3} group. The observed rotational energy distributions for the N{sub 2} products are consistent with the final structures of the respective transition states for each molecule on its S{sub 0} potential energy surface. The theoretically derived vibrational temperature of the N{sub 2} product is high, which is similar to that found for energetic salts and molecules studied previously.« less

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

Bhattacharyya, Swarnendu, E-mail: swarnendu.bhattacharyya@ch.tum.de; Domcke, Wolfgang, E-mail: wolfgang.domcke@ch.tum.de; Dai, Zuyang

A diabatic three-sheeted six-dimensional potential-energy surface has been constructed for the ground state and the lowest excited state of the PH{sub 3}{sup +} cation. Coupling terms of Jahn-Teller and pseudo-Jahn-Teller origin up to eighth order had to be included to describe the pronounced anharmonicity of the surface due to multiple conical intersections. The parameters of the diabatic Hamiltonian have been optimized by fitting the eigenvalues of the potential-energy matrix to ab initio data calculated at the CASSCF/MRCI level employing the correlation-consistent triple-ζ basis. The theoretical photoelectron spectrum of phosphine and the non-adiabatic nuclear dynamics of the phosphine cation have beenmore » computed by propagating nuclear wave packets with the multiconfiguration time-dependent Hartree method. The theoretical photoelectron bands obtained by Fourier transformation of the autocorrelation function agree well with the experimental results. It is shown that the ultrafast non-radiative decay dynamics of the first excited state of PH{sub 3}{sup +} is dominated by the exceptionally strong Jahn-Teller coupling of the asymmetric bending vibrational mode together with a hyperline of conical intersections with the electronic ground state induced by the umbrella mode. Time-dependent population probabilities have been computed for the three adiabatic electronic states. The non-adiabatic Jahn-Teller dynamics within the excited state takes place within ≈5 fs. Almost 80% of the excited-state population decay to the ground state within about 10 fs. The wave packets become highly complex and delocalized after 20 fs and no further significant transfer of electronic population seems to occur up to 100 fs propagation time.« less

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

PubMed

Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng

2016-12-15

A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.

Light Trapping, Absorption and Solar Energy Harvesting by Artificial Materials

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

John, Sajeev

2014-06-04

We have studied light trapping in conical pore silicon photonic crystal architectures. We find considerable improvement in solar absorption (relative to nanowires) in a square lattice of conical nano-pores.

Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry (Open Access Publisher’s Version)

DTIC Science & Technology

2017-09-26

for asymmetric vibrations, I ̂ = |x⟩⟨x| + |y⟩ ⟨y| is the electronic identity operator, and d is the vibrational displacement . The first line is an...positive displacement d in eq 4 gives the Jahn−Teller effect on a particle in a square 2D box46−48 expected from the Hellmann−Feynman theorem.49 The...and 3/2, all of which involve larger displacements than in Table 1. ■ RESULTS Figure 2 provides a complete characterization of the 12 lowest

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

PubMed

Gozem, Samer; Melaccio, Federico; Valentini, Alessio; Filatov, Michael; Huix-Rotllant, Miquel; Ferré, Nicolas; Frutos, Luis Manuel; Angeli, Celestino; Krylov, Anna I; Granovsky, Alexander A; Lindh, Roland; Olivucci, Massimo

2014-08-12

We report and characterize ground-state and excited-state potential energy profiles using a variety of electronic structure methods along a loop lying on the branching plane associated with a conical intersection (CI) of a reduced retinal model, the penta-2,4-dieniminium cation (PSB3). Whereas the performance of the equation-of-motion coupled-cluster, density functional theory, and multireference methods had been tested along the excited- and ground-state paths of PSB3 in our earlier work, the ability of these methods to correctly describe the potential energy surface shape along a CI branching plane has not yet been investigated. This is the focus of the present contribution. We find, in agreement with earlier studies by others, that standard time-dependent DFT (TDDFT) does not yield the correct two-dimensional (i.e., conical) crossing along the branching plane but rather a one-dimensional (i.e., linear) crossing along the same plane. The same type of behavior is found for SS-CASPT2(IPEA=0), SS-CASPT2(IPEA=0.25), spin-projected SF-TDDFT, EOM-SF-CCSD, and, finally, for the reference MRCISD+Q method. In contrast, we found that MRCISD, CASSCF, MS-CASPT2(IPEA=0), MS-CASPT2(IPEA=0.25), XMCQDPT2, QD-NEVPT2, non-spin-projected SF-TDDFT, and SI-SA-REKS yield the expected conical crossing. To assess the effect of the different crossing topologies (i.e., linear or conical) on the PSB3 photoisomerization efficiency, we discuss the results of 100 semiclassical trajectories computed by CASSCF and SS-CASPT2(IPEA=0.25) for a PSB3 derivative. We show that for the same initial conditions, the two methods yield similar dynamics leading to isomerization quantum yields that differ by only a few percent.

First Principles Dynamics and Coarse-Grained Characterization of Photoisomerization in Complex Environments

ERIC Educational Resources Information Center

Virshup, Aaron Michael

2009-01-01

Photoisomerization of conjugated systems is a common pathway for photomechanical energy conversion in biological chromophores. Such reactions are mediated by conical intersections (CIs)--points of degeneracy between different potential energy surfaces, which efficiently funnel population between electronic states. There are many examples of a…

Flexible particle manipulation techniques with conical refraction-based optical tweezers

NASA Astrophysics Data System (ADS)

McDougall, C.; Henderson, Robert; Carnegie, David J.; Sokolovskii, Grigorii S.; Rafailov, Edik U.; McGloin, David

2012-10-01

We present an optimized optical tweezers system based upon the conical refraction of circularly polarized light in a biaxial crystal. The described optical arrangement avoids distortions to the Lloyd plane rings that become apparent when working with circularly polarized light in conventional optical tweezers. We demonstrate that the intensity distribution of the conically diffracted light permits optical manipulation of high and low refractive index particles simultaneously. Such trapping is in three dimensions and not limited to the Lloyd plane rings. By removal of a quarter waveplate the system also permits the study of linearly polarized conical refraction. We show that particle position in the Raman plane is determined by beam power, and indicates that true optical tweezing is not taking place in this part of the beam.

Gravity settling

DOEpatents

Davis, Hyman R.; Long, R. H.; Simone, A. A.

1979-01-01

Solids are separated from a liquid in a gravity settler provided with inclined solid intercepting surfaces to intercept the solid settling path to coalesce the solids and increase the settling rate. The intercepting surfaces are inverted V-shaped plates, each formed from first and second downwardly inclined upwardly curved intersecting conical sections having their apices at the vessel wall.

Generalized trajectory surface hopping method based on the Zhu-Nakamura theory

NASA Astrophysics Data System (ADS)

Oloyede, Ponmile; Mil'nikov, Gennady; Nakamura, Hiroki

2006-04-01

We present a generalized formulation of the trajectory surface hopping method applicable to a general multidimensional system. The method is based on the Zhu-Nakamura theory of a nonadiabatic transition and therefore includes the treatment of classically forbidden hops. The method uses a generalized recipe for the conservation of angular momentum after forbidden hops and an approximation for determining a nonadiabatic transition direction which is crucial when the coupling vector is unavailable. This method also eliminates the need for a rigorous location of the seam surface, thereby ensuring its applicability to a wide class of chemical systems. In a test calculation, we implement the method for the DH2+ system, and it shows a remarkable agreement with the previous results of C. Zhu, H. Kamisaka, and H. Nakamura, [J. Chem. Phys. 116, 3234 (2002)]. We then apply it to a diatomic-in-molecule model system with a conical intersection, and the results compare well with exact quantum calculations. The successful application to the conical intersection system confirms the possibility of directly extending the present method to an arbitrary potential of general topology.

Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework

DOE PAGES

Medders, Gregory R.; Alguire, Ethan C.; Jain, Amber; ...

2017-01-18

Here, we employ surface hopping trajectories to model the short-time dynamics of gas-phase and partially solvated 4-(N,N-dimethylamino)benzonitrile (DMABN), a dual fluorescent molecule that is known to undergo a nonadiabatic transition through a conical intersection. To compare theory vs time-resolved fluorescence measurements, we calculate the mixed quantum–classical density matrix and the ensemble averaged transition dipole moment. We introduce a diabatization scheme based on the oscillator strength to convert the TDDFT adiabatic states into diabatic states of L a and L b character. Somewhat surprisingly, we find that the rate of relaxation reported by emission to the ground state is almost 50%more » slower than the adiabatic population relaxation. Although our calculated adiabatic rates are largely consistent with previous theoretical calculations and no obvious effects of decoherence are seen, the diabatization procedure introduced here enables an explicit picture of dynamics in the branching plane, raising tantalizing questions about geometric phase effects in systems with dozens of atoms.« less

Geometric phase effects in ultracold chemistry

NASA Astrophysics Data System (ADS)

Hazra, Jisha; Naduvalath, Balakrishnan; Kendrick, Brian K.

2016-05-01

In molecules, the geometric phase, also known as Berry's phase, originates from the adiabatic transport of the electronic wavefunction when the nuclei follow a closed path encircling a conical intersection between two electronic potential energy surfaces. It is demonstrated that the inclusion of the geometric phase has an important effect on ultracold chemical reaction rates. The effect appears in rotationally and vibrationally resolved integral cross sections as well as cross sections summed over all product quantum states. It arises from interference between scattering amplitudes of two reaction pathways: a direct path and a looping path that encircle the conical intersection between the two lowest adiabatic electronic potential energy surfaces. Illustrative results are presented for the O+ OH --> H+ O2 reaction and for hydrogen exchange in H+ H2 and D+HD reactions. It is also qualitatively demonstrated that the geometric phase effect can be modulated by applying an external electric field allowing the possibility of quantum control of chemical reactions in the ultracold regime. This work was supported in part by NSF Grant PHY-1505557 (N.B.) and ARO MURI Grant No. W911NF-12-1-0476 (N.B.).

Optical vault: a reconfigurable bottle beam based on conical refraction of light.

PubMed

Turpin, A; Shvedov, V; Hnatovsky, C; Loiko, Yu V; Mompart, J; Krolikowski, W

2013-11-04

We employ conical refraction of light in a biaxial crystal to create an optical bottle for photophoretic trapping and manipulation of particles in gaseous media. We show that by only varying the polarization state of the input light beam the optical bottle can be opened and closed in order to load and unload particles in a highly controllable manner.

Traffic Light Detection Using Conic Section Geometry

NASA Astrophysics Data System (ADS)

Hosseinyalmdary, S.; Yilmaz, A.

2016-06-01

Traffic lights detection and their state recognition is a crucial task that autonomous vehicles must reliably fulfill. Despite scientific endeavors, it still is an open problem due to the variations of traffic lights and their perception in image form. Unlike previous studies, this paper investigates the use of inaccurate and publicly available GIS databases such as OpenStreetMap. In addition, we are the first to exploit conic section geometry to improve the shape cue of the traffic lights in images. Conic section also enables us to estimate the pose of the traffic lights with respect to the camera. Our approach can detect multiple traffic lights in the scene, it also is able to detect the traffic lights in the absence of prior knowledge, and detect the traffics lights as far as 70 meters. The proposed approach has been evaluated for different scenarios and the results show that the use of stereo cameras significantly improves the accuracy of the traffic lights detection and pose estimation.

GPU-accelerated iterative reconstruction from Compton scattered data using a matched pair of conic projector and backprojector.

PubMed

Nguyen, Van-Giang; Lee, Soo-Jin

2016-07-01

Iterative reconstruction from Compton scattered data is known to be computationally more challenging than that from conventional line-projection based emission data in that the gamma rays that undergo Compton scattering are modeled as conic projections rather than line projections. In conventional tomographic reconstruction, to parallelize the projection and backprojection operations using the graphics processing unit (GPU), approximated methods that use an unmatched pair of ray-tracing forward projector and voxel-driven backprojector have been widely used. In this work, we propose a new GPU-accelerated method for Compton camera reconstruction which is more accurate by using exactly matched pair of projector and backprojector. To calculate conic forward projection, we first sample the cone surface into conic rays and accumulate the intersecting chord lengths of the conic rays passing through voxels using a fast ray-tracing method (RTM). For conic backprojection, to obtain the true adjoint of the conic forward projection, while retaining the computational efficiency of the GPU, we use a voxel-driven RTM which is essentially the same as the standard RTM used for the conic forward projector. Our simulation results show that, while the new method is about 3 times slower than the approximated method, it is still about 16 times faster than the CPU-based method without any loss of accuracy. The net conclusion is that our proposed method is guaranteed to retain the reconstruction accuracy regardless of the number of iterations by providing a perfectly matched projector-backprojector pair, which makes iterative reconstruction methods for Compton imaging faster and more accurate. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data

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

Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu

2014-01-14

A recently reported algorithm for representing adiabatic states coupled by conical intersections using a quasi-diabatic state Hamiltonian in four and five atom systems is extended to treat nonadiabatic processes in considerably larger molecules. The method treats all internal degrees of freedom and uses electronic structure data from ab initio multireference configuration interaction wave functions with nuclear configuration selection based on quasi-classical surface hopping trajectories. The method is shown here to be able to treat ∼30 internal degrees of freedom including dissociative and large amplitude internal motion. Two procedures are introduced which are essential to the algorithm, a null space projectormore » which removes basis functions from the fitting process until they are needed and a partial diagonalization technique which allows for automated, but accurate, treatment of the vicinity of extended seams of conical intersections of two or more states. These procedures are described in detail. The method is illustrated using the photodissociaton of phenol, C{sub 6}H{sub 5}OH(X{sup ~1}A{sup ′}) + hv → C{sub 6}H{sub 5}OH(A{sup ~1}A{sup ′}, B{sup ~1}A{sup ′′}) → C{sub 6}H{sub 5}O(X{sup ~2}B{sub 1}, A{sup ~2}B{sub 2}) + H as a test case. Ab initio electronic structure data for the 1,2,3{sup 1}A states of phenol, which are coupled by conical intersections, are obtained from multireference first order configuration interaction wave functions. The design of bases to simultaneously treat large amplitude motion and dissociation is described, as is the ability of the fitting procedure to smooth the irregularities in the electronic energies attributable to the orbital changes that are inherent to nonadiabatic processes.« less

Avoided crossings: A study of the nonadiabatic transition probabilities

NASA Astrophysics Data System (ADS)

Desouter-Lecomte, M.; Leyh-Nihant, B.; Praet, M. T.; Lorquet, J. C.

1987-06-01

An approximate solution to the problem of constructing a pair of diabatic states exists only if certain requirements are fulfilled, for example, when the nonadiabatic coupling results from an interaction between two electronic configurations which are doubly excited with respect to one another. It is then possible to build up a model in which the series expansion of the elements of the Hamiltonian matrix is truncated after the first nonzero term. This leads to several conclusions concerning the nonadiabatic transition probability which differentiate conical intersections from avoided crossings. For the latter, the nonadiabatic coupling matrix elements (which are Lorentzians with an area equal to π/2) reach their maximum at the nuclear geometry for which ΔE (the energy gap between adiabatic surfaces) is a minimum. The loci along which the angle θ of the orthogonal transformation which relates adiabatic and diabatic wave functions keeps a constant value are a set of parallel straight lines which coincides with the loci along which ΔE remains constant. This reference direction in the configuration space corresponds to nuclear trajectories which are unable to bring about a nonadiabatic transition. In the case of avoided crossings, there exists only one nuclear degree of freedom which gives rise to surface hopping. Conical intersections, on the other hand, have two such active degrees of freedom. This creates a qualitative difference between the two cases which makes conical intersections more efficient as funnels than avoided crossings. A two-dimensional extension of the Landau-Zener formula is derived for avoided crossings. It contains a factor of anisotropy. It is possible, at least in favorable cases, to extract approximate diabatic quantities from ab initio calculations and to compare them with the predictions of these models. This has been done for two 2A1 electronic states of the CH+2 ion. The results are found to agree with the predictions of the model, at least in a restricted range of internuclear distances.

A survey of ab initio conical intersections for the H+H2 system

NASA Astrophysics Data System (ADS)

Halász, Gábor; Vibók, Ágnes; Mebel, Alexander M.; Baer, Michael

2003-02-01

In this article we present a survey of the various conical intersections which govern potential transitions between the three lower electronic states for the title molecular system. It was revealed that these three states, for a given fixed HH distance, RHH, usually form four conical intersections: two, between the two lower states and two, between the two upper states. One of the four is the well known equilateral D3h ci and the others are, essentially, C2v cis: One of them is located on the symmetry line perpendicular to the HH axis (just like the D3h ci) and the other two are located on both sides of this symmetry line and in this way form the ci-twins. The study was carried out for four RHH-values, namely, RHH=0.74, 0.5417, 0.52, and 0.4777 Å. It was also established that there exists one single RHH-value designated as R˜HH, located in the interval {0.52, 0.53 Å}, for which all four cis coalesce to become one kind of "super" ci which couples the three states. The numerical study was carried out employing the line integral approach for groups of two and three states. As for the two-state calculations we found that all D3h-cis, at close proximity, are circular (ordinary) Jahn-Teller-type cis, whereas all C2v-cis, at close proximity, are elliptic Jahn-Teller cis [Chem. Phys. Lett 354, 243 (2002)]. Particular attention is given to the 3-state quantization of the nonadiabatic coupling matrix. The quantization is found to be fulfilled in all situations as long as the regions in configuration space are not too far from the relevant cis. In the Discussion and Conclusion we discuss, among other subjects, the possibility to diabatize the adiabatic potential matrix.

Revisiting Street Intersections Using Slot-Based Systems.

PubMed

Tachet, Remi; Santi, Paolo; Sobolevsky, Stanislav; Reyes-Castro, Luis Ignacio; Frazzoli, Emilio; Helbing, Dirk; Ratti, Carlo

2016-01-01

Since their appearance at the end of the 19th century, traffic lights have been the primary mode of granting access to road intersections. Today, this centuries-old technology is challenged by advances in intelligent transportation, which are opening the way to new solutions built upon slot-based systems similar to those commonly used in aerial traffic: what we call Slot-based Intersections (SIs). Despite simulation-based evidence of the potential benefits of SIs, a comprehensive, analytical framework to compare their relative performance with traffic lights is still lacking. Here, we develop such a framework. We approach the problem in a novel way, by generalizing classical queuing theory. Having defined safety conditions, we characterize capacity and delay of SIs. In the 2-road crossing configuration, we provide a capacity-optimal SI management system. For arbitrary intersection configurations, near-optimal solutions are developed. Results theoretically show that transitioning from a traffic light system to SI has the potential of doubling capacity and significantly reducing delays. This suggests a reduction of non-linear dynamics induced by intersection bottlenecks, with positive impact on the road network. Such findings can provide transportation engineers and planners with crucial insights as they prepare to manage the transition towards a more intelligent transportation infrastructure in cities.

Study on the Spatial Resolution of Single and Multiple Coincidences Compton Camera

NASA Astrophysics Data System (ADS)

Andreyev, Andriy; Sitek, Arkadiusz; Celler, Anna

2012-10-01

In this paper we study the image resolution that can be obtained from the Multiple Coincidences Compton Camera (MCCC). The principle of MCCC is based on a simultaneous acquisition of several gamma-rays emitted in cascade from a single nucleus. Contrary to a standard Compton camera, MCCC can theoretically provide the exact location of a radioactive source (based only on the identification of the intersection point of three cones created by a single decay), without complicated tomographic reconstruction. However, practical implementation of the MCCC approach encounters several problems, such as low detection sensitivities result in very low probability of coincident triple gamma-ray detection, which is necessary for the source localization. It is also important to evaluate how the detection uncertainties (finite energy and spatial resolution) influence identification of the intersection of three cones, thus the resulting image quality. In this study we investigate how the spatial resolution of the reconstructed images using the triple-cone reconstruction (TCR) approach compares to images reconstructed from the same data using standard iterative method based on single-cone. Results show, that FWHM for the point source reconstructed with TCR was 20-30% higher than the one obtained from the standard iterative reconstruction based on expectation maximization (EM) algorithm and conventional single-cone Compton imaging. Finite energy and spatial resolutions of the MCCC detectors lead to errors in conical surfaces definitions (“thick” conical surfaces) which only amplify in image reconstruction when intersection of three cones is being sought. Our investigations show that, in spite of being conceptually appealing, the identification of triple cone intersection constitutes yet another restriction of the multiple coincidence approach which limits the image resolution that can be obtained with MCCC and TCR algorithm.

Variable two-crystal cascade for conical refraction.

PubMed

Peet, V

2015-05-15

The cascade conical refraction occurs when a collimated light beam is passed consequently along the optic axes of several biaxial crystals arranged in a series. For commonly used optical arrangements, the general structure of light emerging from such a cascade is rigorously determined by the used crystals, leaving few possibilities for the variations of the established light pattern. A simple modification of a two-crystal arrangement where one of the two crystals is placed beyond the imaging lens is reported. This modification adds an extreme versatility to the effect and allows one to tune continuously the actual cascade parameters. As a result, practically any pattern of two-crystal cascade conical refraction can be obtained for any pair of biaxial crystals.

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

PubMed Central

Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko

2017-01-01

In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter–photon problems. We analyze model systems in optical cavities, where the matter–photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born–Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron–photon dynamics. This work paves the way to describe matter–photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science. PMID:28275094

Spectroscopy of Isolated Prebiotic Nucleobases

NASA Technical Reports Server (NTRS)

Svadlenak, Nathan; Callahan, Michael P.; Ligare, Marshall; Gulian, Lisa; Gengeliczki, Zsolt; Nachtigallova, Dana; Hobza, Pavel; deVries, Mattanjah

2011-01-01

We use multiphoton ionization and double resonance spectroscopy to study the excited state dynamics of biologically relevant molecules as well as prebiotic nucleobases, isolated in the gas phase. Molecules that are biologically relevant to life today tend to exhibit short excited state lifetimes compared to similar but non-biologically relevant analogs. The mechanism is internal conversion, which may help protect the biologically active molecules from UV damage. This process is governed by conical intersections that depend very strongly on molecular structure. Therefore we have studied purines and pyrimidines with systematic variations of structure, including substitutions, tautomeric forms, and cluster structures that represent different base pair binding motifs. These structural variations also include possible alternate base pairs that may shed light on prebiotic chemistry. With this in mind we have begun to probe the ultrafast dynamics of molecules that exhibit very short excited states and search for evidence of internal conversions.

Holographic studies of shock waves within transonic fan rotors

NASA Technical Reports Server (NTRS)

Benser, W. A.; Bailey, E. E.; Gelder, T. F.

1973-01-01

Pulsed laser holographic interferometry has been applied to the detection of shock patterns in the outer span regions of high tip speed transonic rotors. The first holographic approach used ruby laser light reflected from a portion of the centerbody just ahead of the rotor. These holograms showed the bow wave patterns upstream of the rotor and the shock patterns just inside the blade row near the tip. Much of the region of interest was in the shadow of the blade leading edge and could not be visualized. The second holographic approach, on a different rotor, used light transmitted diagonally across the inlet annulus past the centerbody. This approach gave a more extensive view of the region bounded by the blade leading and trailing edges, by the part span shroud and by the blade tip. These holograms showed the passage shock emanating from the blade leading edge and a moderately strong conical shock originating at the intersection of the part span shroud leading edge and the blade suction surface. Reasonable details of the shock patterns were obtained from holograms which were made without extensive rig modifications.

Thioperoxy derivative generated by UV-induced transformation of N-hydroxypyridine-2(1H)-thione isolated in low-temperature matrixes.

PubMed

Lapinski, Leszek; Gerega, Anna; Sobolewski, Andrzej L; Nowak, Maciej J

2008-01-17

Photochemical transformations of N-hydroxypyridine-2(1H)-thione and its deuterated isotopologue were studied using the matrix-isolation technique. Low-temperature Ar and N2 matrixes containing monomers of this compound were irradiated with continuous-wave near-UV light. Photogeneration of two products was observed in these experiments. The relative population of these photogenerated species was found to be dependent on the wavelength of the UV light used for irradiation. By comparison of the IR spectra of the photoproducts with the spectra simulated theoretically at the DFT(B3LYP)/6-311++G(d, p) level, the final and the intermediate products were identified as rotameric forms of 2-hydroxysulfanyl-pyridine. This is the first report on generation of this thioperoxy derivative of pyridine. The mechanism of photogeneration of 2-hydroxysulfanyl-pyridine involves a photoinduced cleavage of the N-O bond in N-hydroxypyridine-2(1H)-thione, generation of the .OH radical weakly bound with the remaining pyridylthiyl radical, and recombination of these two radicals by formation of the new -S-O- bond. A theoretical model supporting this interpretation was constructed on the basis of approximate coupled cluster (CC2) calculations of the potential energy surfaces of the ground and first excited singlet electronic states of the system. After electronic excitation of the monomeric N-hydroxypyridine-2(1H)-thione, the molecule evolves to the conical intersection with the potential energy surface of the ground state and then to the global minimum corresponding to 2-hydroxysulfanyl-pyridine.

Spatial effect of conical angle on optical-thermal distribution for circumferential photocoagulation

PubMed Central

Truong, Van Gia; Park, Suhyun; Tran, Van Nam; Kang, Hyun Wook

2017-01-01

A uniformly diffusing applicator can be advantageous for laser treatment of tubular tissue. The current study investigated various conical angles for diffuser tips as a critical factor for achieving radially uniform light emission. A customized goniometer was employed to characterize the spatial uniformity of the light propagation. An ex vivo model was developed to quantitatively compare the temperature development and irreversible tissue coagulation. The 10-mm diffuser tip with angle at 25° achieved a uniform longitudinal intensity profile (i.e., 0.90 ± 0.07) as well as a consistent thermal denaturation on the tissue. The proposed conical angle can be instrumental in determining the uniformity of light distribution for the photothermal treatment of tubular tissue. PMID:29296495

Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.

PubMed

Zobač, Vladimír; Lewis, James P; Abad, Enrique; Mendieta-Moreno, Jesús I; Hapala, Prokop; Jelínek, Pavel; Ortega, José

2015-05-08

The computational simulation of photo-induced processes in large molecular systems is a very challenging problem. Firstly, to properly simulate photo-induced reactions the potential energy surfaces corresponding to excited states must be appropriately accessed; secondly, understanding the mechanisms of these processes requires the exploration of complex configurational spaces and the localization of conical intersections; finally, photo-induced reactions are probability events, that require the simulation of hundreds of trajectories to obtain the statistical information for the analysis of the reaction profiles. Here, we present a detailed description of our implementation of a molecular dynamics with electronic transitions algorithm within the local-orbital density functional theory code FIREBALL, suitable for the computational study of these problems. As an example of the application of this approach, we also report results on the [2 + 2] cycloaddition of ethylene with maleic anhydride and on the [2 + 2] photo-induced polymerization reaction of two C60 molecules. We identify different deactivation channels of the initial electron excitation, depending on the time of the electronic transition from LUMO to HOMO, and the character of the HOMO after the transition.

On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data.

PubMed

Malbon, Christopher L; Zhu, Xiaolei; Guo, Hua; Yarkony, David R

2016-12-21

For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian H d (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the H d by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding H d determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.

Photoisomerization around a fulvene double bond: coherent population transfer to the electronic ground state?

PubMed

Ioffe, Ilya; Dobryakov, Alexander L; Granovsky, Alexander A; Ernsting, Nikolaus P; Lustres, J Luis Pérez

2011-07-11

Photoisomerization around a central fulvene-type double bond is known to proceed through a conical intersection at the perpendicular geometry. The process is studied with an indenylidene-dihydropyridine model compound, allowing the use of visible excitation pulses. Transient absorption shows that 1) stimulated emission shifts to the red and loses oscillator strength on a 50 fs timescale, and 2) bleach recovery is highly nonexponential and not affected by solvent viscosity or methyl substitution at the dihydropyridine ring. Quantum-chemical calculations are used to explain point 1 as a result of initial elongation of the central C=C bond with mixing of S(2) and S(1) states. From point 2 it is concluded that internal conversion of S(1)→S(0) does not require torsional motion to the fully perpendicular state. The S(1) population appears to encounter a sink on the torsional coordinate before the conical intersection is reached. Rate equations cannot model the observed ground-state recovery adequately. Instead the dynamics are best described with a strongly damped oscillatory contribution, which could indicate coherent S(1)-S(0) population transfer. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Internal and external axial corner flows

NASA Technical Reports Server (NTRS)

Kutler, P.; Shankar, V.; Anderson, D. A.; Sorenson, R. L.

1975-01-01

The inviscid, internal, and external axial corner flows generated by two intersecting wedges traveling supersonically are obtained by use of a second-order shock-capturing, finite-difference approach. The governing equations are solved iteratively in conical coordinates to yield the complicated wave structure of the internal corner and the simple peripheral shock of the external corner. The numerical results for the internal flows compare favorably with existing experimental data.

Nonadiabatic Photo-Process Involving the πσ* State in Intramolecular Charge Transfer: a Concerted Spectroscopic and Computational Study 4-(DIMETHYLAMINO)BENZETHYNE and 4-(DIMETHYLAMINO)BENZONITRILE.

NASA Astrophysics Data System (ADS)

Fujiwara, Takashige; Segarra-Martí, Javier; Coto, Pedro B.

2014-06-01

The ubiquitous nature of the low-lying πσ* state in the photo-excited aromatic molecules or biomolecules is widely recognized to play an important role in nonadiabatic photo-process such as photodissociation or intramolecular charge transfer (ICT). For instance, the O--H elimination channel in phenol is attributed to the state-cross of the repulsive πσ* state that exhibits a conical intersection with the lowest bright ππ* state and with the ground state, leading to ultrafast electronic deactivation. A similar decay pathway has been found in the ICT formation of 4-(dialkylamino)benzonitriles in a polar environment, where an initially photoexcited Frank-Condon state bifurcates in the presence of a dark intermediate πσ* state that crosses the fluorescent ππ* state, followed by a conical intersection with the twisted intramolecular charge transfer (TICT) state. We proposed such a two-fold decay mechanism that πσ*-state highly mediates intramolecular charge transfer in 4-(dialkylamino)benzonitriles, which is supported from both our high-level ab initio calculations and ultrafast laser spectroscopies in the previous study. 4-(Dimethylamino)benzethyne (DMABE) is isoelectronic with 4-(dimethylamino)benzonitrile (DMABN), and the electronic structures and electronic spectra of the two molecules bear very close resemblance. However, DMABN does show the ICT formation in a polar environment, whereas DMABE does not. To probe the photophysical differences among the low-lying excited-state configurations, we performed concerted time-resolved laser spectroscopies and high level ab initio multireference perturbation theory quantum-chemical (CASPT2//CASSCF) computations on the two molecules. In this paper we demonstrate the importance of the bound excited-state of a πσ* configuration that induce highly πσ*-state mediated intramolecular charge transfer in 4-(dialkylamino)benzonitriles.

Generation of spiral optical beams using a spatial light modulator

NASA Astrophysics Data System (ADS)

Rodrigo, Peter J.; Alonzo, Carlo A.; Gluckstad, Jesper

2005-08-01

Recently, a new type of beam termed "spiral optical beam" has been introduced [Alonzo, et al., Opt. Express 13, 1749 (2005)]. Spiral beams are created from multiplicative mixtures of helical and conical phase distributions. Helico-conical phase fronts that generate these novel beams are not achieved with a sequence of a corkscrew wave-plate and an axicon (as this sequence gives a sum of helical and conical phase terms). Nevertheless, the availability of phase-only spatial light modulators (SLM) allows one to directly imprint helico-conical phase functions on an incident plane wave and provides an easy way to modify the profile of the encoded phase. Focusing the phase-modified field results in spiral intensity distributions that may find use for optical manipulation of mesoscopic particles. In this paper, we have extended the discussion to translation and rotation (as well as chirality switching) of the spiral beams using SLM control.

Separator

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

Ashbrook, C.L.

1970-09-22

A separator consists of a housing having an upper fluid inlet and a lower fluid outlet in the sides of the housing. An inverted conical tube is disposed internally of the housing and is in fluid communication with the fluid inlet. The upper fluid inlet tangentially intersects the inverted conical tube so as to create a rotating vortex upon introduction of the mixture. Axially disposed within the vortex tube at the upper end is a withdrawal tube for removing lighter mixture components that are drawn toward the center of the tube. At the lower end of the vortex tube ismore » an adjustable impact plate for transmitting a concussion wave through the vortexed body, so as to cause cavitation. Heavier mixture components gravitate toward the lower fluid outlet and are withdrawn through it. (7 claims)« less

Photodissociation of methyl formate: Conical intersections, roaming and triple fragmentation

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

Lin, King-Chuen; Tsai, Po-Yu; Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan

2015-12-31

The photodissociation channels of methyl formate have been extensively investigated by two different advanced experimental techniques, ion imaging and Fourier-Transform-Infrared emission spectroscopy, combined with quantum chemical calculations and molecular dynamics simulations. Our aim is to characterize the role of alternative routes to the conventional transition-state mediated pathway: the roaming and the triple fragmentation processes. The photolysis experiments, carried out at a range of laser wavelengths in the vicinity of the triple fragmentation threshold, beside the simulation of large bunches of classical trajectories with different initial conditions, have shown that both mechanisms share a common path that involves a conical intersectionmore » during the relaxation process from the electronic excited state S{sub 1} to the ground state S{sub 0}.« less

Topologically trivial and nontrivial edge bands in graphene induced by irradiation

NASA Astrophysics Data System (ADS)

Yang, Mou; Cai, Zhi-Jun; Wang, Rui-Qiang; Bai, Yan-Kui

2016-08-01

We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.

Testing time-dependent density functional theory with depopulated molecular orbitals for predicting electronic excitation energies of valence, Rydberg, and charge-transfer states and potential energies near a conical intersection

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

Li, Shaohong L.; Truhlar, Donald G., E-mail: truhlar@umn.edu

2014-09-14

Kohn-Sham (KS) time-dependent density functional theory (TDDFT) with most exchange-correlation functionals is well known to systematically underestimate the excitation energies of Rydberg and charge-transfer excited states of atomic and molecular systems. To improve the description of Rydberg states within the KS TDDFT framework, Gaiduk et al. [Phys. Rev. Lett. 108, 253005 (2012)] proposed a scheme that may be called HOMO depopulation. In this study, we tested this scheme on an extensive dataset of valence and Rydberg excitation energies of various atoms, ions, and molecules. It is also tested on a charge-transfer excitation of NH{sub 3}-F{sub 2} and on the potentialmore » energy curves of NH{sub 3} near a conical intersection. We found that the method can indeed significantly improve the accuracy of predicted Rydberg excitation energies while preserving reasonable accuracy for valence excitation energies. However, it does not appear to improve the description of charge-transfer excitations that are severely underestimated by standard KS TDDFT with conventional exchange-correlation functionals, nor does it perform appreciably better than standard TDDFT for the calculation of potential energy surfaces.« less

Analysis of geometric phase effects in the quantum-classical Liouville formalism.

PubMed

Ryabinkin, Ilya G; Hsieh, Chang-Yu; Kapral, Raymond; Izmaylov, Artur F

2014-02-28

We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

PubMed

Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

2012-11-13

The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

Analysis of geometric phase effects in the quantum-classical Liouville formalism

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

Ryabinkin, Ilya G.; Izmaylov, Artur F.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6

2014-02-28

We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic statesmore » in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.« less

Safety Evaluation of Destination Lighting at Stop-Controlled Cross Intersections

DOT National Transportation Integrated Search

2018-02-02

Unlit or inadequately lit intersections reduce the ability of drivers to recognize upcoming intersections during nighttime hours. Drivers also face difficulty in properly negotiating the intersection because lack of adequate lighting increases the li...

Centrifugal Size-Separation Sieve for Granular Materials

NASA Technical Reports Server (NTRS)

Walton, Otis (Inventor); Dreyer, Christopher (Inventor); Riedel, Edward (Inventor)

2015-01-01

A centrifugal sieve and method utilizes centrifugal force in rapidly-rotated cylindrical or conical screens as the primary body force contributing to size segregation. Within the centrifugal acceleration field, vibration and/or shearing flows are induced to facilitate size segregation and eventual separation of the fines from the coarse material. Inside a rotating cylindrical or conical screen, a separately-rotated screw auger blade can be used to transport material along the rotating cylinder or conical wall and to induce shearing in the material.

Free-space optical polarization demultiplexing and multiplexing by means of conical refraction.

PubMed

Turpin, Alex; Loiko, Yurii; Kalkandjiev, Todor K; Mompart, Jordi

2012-10-15

Polarization demultiplexing and multiplexing by means of conical refraction is proposed to increase the channel capacity for free-space optical communication applications. The proposed technique is based on the forward-backward optical transform occurring when a light beam propagates consecutively along the optic axes of two identical biaxial crystals with opposite orientations of their conical refraction characteristic vectors. We present an experimental proof of usefulness of the conical refraction demultiplexing and multiplexing technique by increasing in one order of magnitude the channel capacity at optical frequencies in a propagation distance of 4 m.

Vibrational and Nonadiabatic Coherence in 2D Electronic Spectroscopy, the Jahn-Teller Effect, and Energy Transfer

NASA Astrophysics Data System (ADS)

Jonas, David M.

2018-04-01

Femtosecond two-dimensional (2D) Fourier transform spectroscopy generates and probes several types of coherence that characterize the couplings between vibrational and electronic motions. These couplings have been studied in molecules with Jahn-Teller conical intersections, pseudo-Jahn-Teller funnels, dimers, molecular aggregates, photosynthetic light harvesting complexes, and photosynthetic reaction centers. All have closely related Hamiltonians and at least two types of vibrations, including one that is decoupled from the electronic dynamics and one that is nonadiabatically coupled. Polarized pulse sequences can often be used to distinguish these types of vibrations. Electronic coherences are rapidly obscured by inhomogeneous dephasing. The longest-lived coherences in these systems arise from delocalized vibrations on the ground electronic state that are enhanced by a nonadiabatic Raman excitation process. These characterize the initial excited-state dynamics. 2D oscillation maps are beginning to isolate the medium lifetime vibronic coherences that report on subsequent stages of the excited-state dynamics.

Lighting levels for isolated intersections : leading to safety improvements : final report.

DOT National Transportation Integrated Search

2015-01-01

A number of studies have linked the benefits of roadway lighting to a reduction in crash rates at night for a variety : of roadway types including rural intersections. Assessing the effectiveness of intersection lighting has primarily : relied upon c...

Multiple Decay Mechanisms and 2D‐UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine‐Uracil Monophosphate

PubMed Central

Li, Quansong; Giussani, Angelo; Segarra‐Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alexander A.; Mukamel, Shaul; Roca‐Sanjuán, Daniel

2016-01-01

Abstract The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D‐UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine 1La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine 1Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter‐base hydrogen transfer and decay to the ground state through a conical intersection, or it can yield a long‐lived minimum stabilized by a hydrogen bond between the two ribose rings. This suggests that the 1Lb, S(U) and CT states of the stacked conformer may all contribute to the experimental lifetimes of 18 and 240 ps. We have also simulated the time evolution of the 2D‐UV spectra and provide the specific fingerprint of each species in a recommended probe window between 25 000 and 38 000 cm−1 in which decongested, clearly distinguishable spectra can be obtained. This is expected to allow the mechanistic scenarios to be discerned in the near future with the help of the corresponding experiments. Our results reveal the complexity of the photophysics of the relatively small ApU system, and the potential of 2D‐UV spectroscopy to disentangle the photophysics of multichromophoric systems. PMID:27113273

Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.

PubMed

Li, Quansong; Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alexander A; Mukamel, Shaul; Roca-Sanjuán, Daniel; Garavelli, Marco; Blancafort, Lluís

2016-05-23

The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D-UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine (1) La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine (1) Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter-base hydrogen transfer and decay to the ground state through a conical intersection, or it can yield a long-lived minimum stabilized by a hydrogen bond between the two ribose rings. This suggests that the (1) Lb , S(U) and CT states of the stacked conformer may all contribute to the experimental lifetimes of 18 and 240 ps. We have also simulated the time evolution of the 2D-UV spectra and provide the specific fingerprint of each species in a recommended probe window between 25 000 and 38 000 cm(-1) in which decongested, clearly distinguishable spectra can be obtained. This is expected to allow the mechanistic scenarios to be discerned in the near future with the help of the corresponding experiments. Our results reveal the complexity of the photophysics of the relatively small ApU system, and the potential of 2D-UV spectroscopy to disentangle the photophysics of multichromophoric systems. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Evaluating the Impacts of Red Light Camera Deployment on Intersection Traffic Safety

DOT National Transportation Integrated Search

2018-06-01

Red-light cameras (RLC) are a popular countermeasure to reduce red-light running and improve intersection safety. Studies show that the reduction in side impact crashes at RLC intersections are often accompanied by no-change or an increase in the num...

Vibrational motions associated with primary processes in bacteriorhodopsin studied by coherent infrared emission spectroscopy.

PubMed

Groma, Géza I; Colonna, Anne; Martin, Jean-Louis; Vos, Marten H

2011-03-16

The primary energetic processes driving the functional proton pump of bacteriorhodopsin take place in the form of complex molecular dynamic events after excitation of the retinal chromophore into the Franck-Condon state. These early events include a strong electronic polarization, skeletal stretching, and all-trans-to-13-cis isomerization upon formation of the J intermediate. The effectiveness of the photoreaction is ensured by a conical intersection between the electronic excited and ground states, providing highly nonadiabatic coupling to nuclear motions. Here, we study real-time vibrational coherences associated with these motions by analyzing light-induced infrared emission from oriented purple membranes in the 750-1400 cm(-)(1) region. The experimental technique applied is based on second-order femtosecond difference frequency generation on macroscopically ordered samples that also yield information on phase and direction of the underlying motions. Concerted use of several analysis methods resulted in the isolation and characterization of seven different vibrational modes, assigned as C-C stretches, out-of-plane methyl rocks, and hydrogen out-of-plane wags, whereas no in-plane H rock was found. Based on their lifetimes and several other criteria, we deduce that the majority of the observed modes take place on the potential energy surface of the excited electronic state. In particular, the direction sensitivity provides experimental evidence for large intermediate distortions of the retinal plane during the excited-state isomerization process. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Conical refraction and formation of multiring focal image with Laguerre-Gauss light beams.

PubMed

Peet, Viktor

2011-08-01

For a light beam focused through a biaxial crystal along one of its optical axes, the effect of internal conical refraction in the crystal leads to the formation in the focal image plane of two bright rings separated by a dark ring. It is shown that, with circularly polarized Laguerre-Gauss LG(0)(ℓ) beams entering the crystal, this classical double-ring pattern is transformed into a multiring one consisting of ℓ+2 bright rings. © 2011 Optical Society of America

Thinking Conics

ERIC Educational Resources Information Center

Lewis, Richard

2008-01-01

For their course, mathematics students at Bath Spa University were asked to choose a topic and explore the mathematics. As well as learning some mathematics, the author hoped that the assignment would shed light on the process of mathematical investigation itself. Their course leader had suggested that the topic of conic sections was rich, and…

Statistical analysis of traversal behavior under different types of traffic lights

NASA Astrophysics Data System (ADS)

Wang, Boran; Wang, Ziyang; Li, Zhiyin

2017-12-01

According to the video observation, it is found that the traffic signal type signal has a significant effect on the illegal crossing behavior of pedestrians at the intersection. Through the method of statistical analysis and variance analysis, the difference between the violation rate and the waiting position of pedestrians at different intersecting lights is compared, and the influence of traffic signal type on pedestrian crossing behavior is evaluated. The results show that the violation rate of the intersection of the static pedestrian lights is significantly higher than that of the countdown signal lights. There are significant differences in the waiting position of the intersection of different signal lights.

Influences of motorcycle rider and driver characteristics and road environment on red light running behavior at signalized intersections.

PubMed

Jensupakarn, Auearree; Kanitpong, Kunnawee

2018-04-01

In Thailand, red light running is considered as one of the most dangerous behaviors at intersection. Red light running (RLR) behavior is the failure to obey the traffic control signal. However, motorcycle riders and car drivers who are running through red lights could be influenced by human factors or road environment at intersection. RLR could be advertent or inadvertent behavior influenced by many factors. Little research study has been done to evaluate the contributing factors influencing the red-light violation behavior. This study aims to determine the factors influencing the red light running behavior including human characteristics, physical condition of intersection, traffic signal operation, and traffic condition. A total of 92 intersections were observed in Chiang Mai, Nakhon Ratchasima, and Chonburi, the major provinces in each region of Thailand. In addition, the socio-economic characteristics of red light runners were obtained from self-reported questionnaire survey. The Binary Logistic Regression and the Multiple Linear Regression models were used to determine the characteristics of red light runners and the factors influencing rates of red light running respectively. The results from this study can help to understand the characteristics of red light runners and factors affecting them to run red lights. For motorcycle riders and car drivers, age, gender, occupation, driving license, helmet/seatbelt use, and the probability to be penalized when running the red light significantly affect RLR behavior. In addition, the results indicated that vehicle travelling direction, time of day, existence of turning lane, number of lanes, lane width, intersection sight distance, type of traffic signal pole, type of traffic signal operation, length of yellow time interval, approaching speed, distance from intersection warning sign to stop line, and pavement roughness significantly affect RLR rates. Copyright © 2018 Elsevier Ltd. All rights reserved.

Control of chemical dynamics by lasers: theoretical considerations.

PubMed

Kondorskiy, Alexey; Nanbu, Shinkoh; Teranishi, Yoshiaki; Nakamura, Hiroki

2010-06-03

Theoretical ideas are proposed for laser control of chemical dynamics. There are the following three elementary processes in chemical dynamics: (i) motion of the wave packet on a single adiabatic potential energy surface, (ii) excitation/de-excitation or pump/dump of wave packet, and (iii) nonadiabatic transitions at conical intersections of potential energy surfaces. A variety of chemical dynamics can be controlled, if we can control these three elementary processes as we desire. For (i) we have formulated the semiclassical guided optimal control theory, which can be applied to multidimensional real systems. The quadratic or periodic frequency chirping method can achieve process (ii) with high efficiency close to 100%. Concerning process (iii) mentioned above, the directed momentum method, in which a predetermined momentum vector is given to the initial wave packet, makes it possible to enhance the desired transitions at conical intersections. In addition to these three processes, the intriguing phenomenon of complete reflection in the nonadiabatic-tunneling-type of potential curve crossing can also be used to control a certain class of chemical dynamics. The basic ideas and theoretical formulations are provided for the above-mentioned processes. To demonstrate the effectiveness of these controlling methods, numerical examples are shown by taking the following processes: (a) vibrational photoisomerization of HCN, (b) selective and complete excitation of the fine structure levels of K and Cs atoms, (c) photoconversion of cyclohexadiene to hexatriene, and (d) photodissociation of OHCl to O + HCl.

How Methylation Modifies the Photophysics of the Native All- trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol.

PubMed

Barata-Morgado, Rute; Sánchez, M Luz; Muñoz-Losa, Aurora; Martín, M Elena; Olivares Del Valle, Francisco J; Aguilar, Manuel A

2018-03-22

A comparison between the free-energy surfaces of the all- trans-retinal protonated Schiff base (RPSB) and its 10-methylated derivative in gas phase and methanol solution is performed at CASSCF//CASSCF and CASPT2//CASSCF levels. Solvent effects were included using the average solvent electrostatic potential from molecular dynamics method. This is a QM/MM (quantum mechanics/molecular mechanics) method that makes use of the mean field approximation. It is found that the methyl group bonded to C10 produces noticeable changes in the solution free-energy profile of the S 1 excited state, mainly in the relative stability of the minimum energy conical intersections (MECIs) with respect to the Franck-Condon (FC) point. The conical intersections yielding the 9- cis and 11- cis isomers are stabilized while that yielding the 13- cis isomer is destabilized; in fact, it becomes inaccessible by excitation to S 1 . Furthermore, the planar S 1 minimum is not present in the methylated compound. The solvent notably stabilizes the S 2 excited state at the FC geometry. Therefore, if the S 2 state has an effect on the photoisomerization dynamics, it must be because it permits the RPSB population to branch around the FC point. All these changes combine to speed up the photoisomerization in the 10-methylated compound with respect to the native compound.

Geometric phase effects in ultracold collisions of H/D with rotationally excited HD

NASA Astrophysics Data System (ADS)

Kendrick, Brian K.; Croft, James F. E.; Hazra, Jisha; Balakrishnan, N.

2017-04-01

Quantum reactive scattering calculations for the H/D + HD(v = 4 , j = 1 , 2) -> H/D + HD(v', j') and H + H2(v = 4 , j = 1 , 2) -> H + H2(v', j') exchange reactions are presented for the ground electronic state of H3. A numerically exact three-dimensional time-independent scattering method based on hyperspherical coordinates is used to compute rotationally resolved reaction cross sections and non-thermal rate coefficients for collision energies between 1 μK and 100 K . The geometric (Berry) phase associated with the D3h conical intersection in H3 is included using a U(1) vector (gauge) potential approach. It is shown that the geometric phase leads to a significant (up to three orders of magnitude) enhancement or suppression of the ultracold reaction rate coefficients depending upon whether the interference between the reaction pathways encircling the conical intersection is constructive or destructive. The nature of the interference is governed by a newly discovered mechanism which leads to an effective quantization of the ultracold scattering phase shifts. Interesting behavior due to rotational excitation of the HD and H2 is observed which might be exploited by experimentalists to control the reaction outcome. This work was supported in part by NSF Grant PHY-1505557 (N.B.) and ARO MURI Grant No. W911NF-12-1-0476 (N.B.), and DOE LDRD Grant No. 20170221ER (B.K.).

Nonadiabatic dynamics simulation of photoisomerization mechanism of the second stablest isomer of N-salicilydenemethylfurylamine

NASA Astrophysics Data System (ADS)

Gao, Aihua; Li, Jianpeng; Wang, Dehua; Ma, Xiaoguang; Wang, Meishan

2018-02-01

The photoisomerization processes of the second stablest isomer in the aromatic Schiff base, N-salicilydenemethylfurylamine, in the gas phase have been studied by static electronic structure calculations and surface-hopping dynamics simulations based on the Zhu-Nakamura theory. Various stable structures are obtained in the optimization because of different orientations of methyl-furyl part with respect to the salicylaldimine part and different orientations of hydroxy group with respect to the benzene ring. Upon photoexcitation into the first excited state, bond isomerization in the salicylaldimine part is completely suppressed until the strong excited-state hydrogen bond is broken. The decay pathway involves two excited-state minima, one in cis-enol form and the other in cis-keto form. After the excited-state proton transfer, twists of bonds lead to a conical intersection between the ground and excited states. After internal conversion around a conical intersection, the molecule is stabilized in cis- or trans-keto form. If the reverse hydrogen transfer process occurs in the ground state, the molecule will finally end up in the cis-enol region. The cis-keto and trans-keto isomers are observed as photoproducts. According to our full-dimensional nonadiabatic dynamics simulations, we find the excited-state intramolecular proton transfer and torsions of three single bonds in the chain to be responsible for photoisomerization of the second stablest isomer of N-salicilydenemethylfurylamine.

Deactivation via ring opening: A quantum chemical study of the excited states of furan and comparison to thiophene

NASA Astrophysics Data System (ADS)

Gavrilov, Nemanja; Salzmann, Susanne; Marian, Christel M.

2008-06-01

Minimum nuclear arrangements of the ground and low-lying excited electronic states of furan were obtained by means of (time dependent) Kohn-Sham density functional theory. A combined density functional/multi-reference configuration interaction method (DFT/MRCI) was employed to compute the spectral properties at these points. Multiple minima were found on the first excited singlet (S 1) potential energy hypersurface with electronic structures S1, S2, S3 corresponding to the 1 1A 2 (π → 3s-Ryd), 1 1B 2 (π → π ∗), and 2 1A 1 (π → π ∗) states in the vertical absorption spectrum, respectively. In analogy to recently published studies in thiophene [S. Salzmann, M. Kleinschmidt, J. Tatchen, R. Weinkauf, C.M. Marian, Phys. Chem. Chem. Phys. 10 (2008) 380] a deactivation mechanism for electronically excited furan was detected that involves the opening of the pentacyclic ring. We found a nearly barrierless relaxation pathway from the Franck-Condon region along a C-O bond-breaking coordinate. Hereby the initially excited 1B 2 (π → π ∗) state undergoes a conical intersection with a 1B 1 (π → σ ∗) state. The system can return to the electronic ground state through a second conical intersection of the 1(π → σ ∗) state before the minimum of that B 1 state is reached.

Theoretical study of the photo-isomerisation reactions of 1,2-dihydro-1,2-phosphaborine and 1,2-dihydro-1,2-alumazaine

NASA Astrophysics Data System (ADS)

Su, Ming-Der

2015-07-01

The mechanisms of the photochemical isomerisation reactions are investigated theoretically using the model systems, 1,2-dihydro-1,2-phosphaborine (5) and 1,2-dihydro-1,2-alumazaine (6), using the CAS(6,6)/6-311G(d,p) and MP2-CAS-(6,6)/6-311++G(3df,3pd)//CAS(6,6)/6-311G(d,p) methods. For each model reactant, three reaction pathways, which lead to three kinds of photo-isomers, are examined. The structures of the conical intersections, which play a key role in such photo-rearrangements, are determined. The thermal (or dark) reactions of the reactant species are also examined, using the same level of theory, to provide a qualitative explanation of the reaction pathways. These model investigations demonstrate that the preferred reaction route for these two aromatic heterocyclics is as follows: reactant → Franck-Condon region → conical intersection → photoproduct. The theoretical evidences anticipate that after irradiation of 5, the photoproduct yield of the Dewar BP-isomer, 8, should be larger than that of the Dewar BP-isomer, 7, whereas no Dewar BP-isomer 9 can be observed. Moreover, the present theoretical data predict after irradiation of 6, all three Dewar AlN-isomers (10, 11, and 12) and the starting molecule, 6, are produced.

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

Yuan, Bing; Bernstein, Elliot R., E-mail: erb@lamar.colostate.edu

Unimolecular decomposition of nitrogen-rich energetic molecules 1,2-bis(1H-tetrazol-1-yl)ethane (1-DTE), 1,2-bis(1H-tetrazol-5-yl)ethane (5-DET), N,N-bis(1H-tetrazol-5-yl)amine (BTA), and 5,5’-bis(tetrazolyl)hydrazine (BTH) has been explored via 283 nm two photon laser excitation. The maximum absorption wavelength in the UV-vis spectra of all four materials is around 186–222 nm. The N{sub 2} molecule, with a cold rotational temperature (<30 K), is observed as an initial decomposition product from the four molecules, subsequent to UV excitation. Initial decomposition mechanisms for these four electronically excited isolated molecules are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) level illustrate that conical intersectionsmore » play an essential role in the decomposition mechanism. The tetrazole ring opens on the S{sub 1} excited state and through conical intersections (S{sub 1}/S{sub 0}){sub CI}, N{sub 2} product is formed on the ground state potential energy surface without rotational excitation. The tetrazole rings of all four energetic molecules open at the N1—N2 ring bond with the lowest energy barrier: the C—N bond opening has higher energy barrier than that for any of the N—N ring bonds. Therefore, the tetrazole rings open at their N—N bonds to release N{sub 2}. The vibrational temperatures of N{sub 2} product from all four energetic materials are hot based on theoretical calculations. The different groups (CH{sub 2}—CH{sub 2}, NH—NH, and NH) joining the tetrazole rings can cause apparent differences in explosive behavior of 1-DTE, 5-DTE, BTA, and BTH. Conical intersections, non-Born-Oppenheimer interactions, and dynamics are the key features for excited electronic state chemistry of organic molecules, in general, and energetic molecules, in particular.« less

Interference of conically scattered light in surface plasmon resonance.

PubMed

Webster, Aaron; Vollmer, Frank

2013-02-01

Surface plasmon polaritons on thin metal films are a well studied phenomena when excited using prism coupled geometries such as the Kretschmann attenuated total reflection configuration. Here we describe a novel interference pattern in the conically scattered light emanating from such a configuration when illuminated by a focused beam. We observe conditions indicating only self-interference of scattered surface plasmon polaritions without any contributions from specular reflection. The spatial evolution of this field is described in the context of Fourier optics and has applications in highly sensitive surface plasmon based biosensing.

The Development of a Conical Composite Energy Absorber for Use in the Attenuation of Crash/Impact Loads

NASA Technical Reports Server (NTRS)

Littell, Justin D.

2014-01-01

A design for a novel light-weight conical shaped energy absorbing (EA) composite subfloor structure is proposed. This composite EA is fabricated using repeated alternating patterns of a conical geometry to form long beam structures which can be implemented as aircraft subfloor keel beams or frame sections. The geometrical features of this conical design, along with the hybrid composite materials used in the manufacturing process give a strength tailored to achieve a constant 25-40 g sustained crush load, small peak crush loads and long stroke limits. This report will discuss the geometrical design and fabrication methods, along with results from static and dynamic crush testing of 12-in. long subcomponents.

Intersection Monitor for Traffic-Light-Preemption System

NASA Technical Reports Server (NTRS)

Bachelder, Aaron; Foster, Conrad

2006-01-01

The figure shows an intersection monitor that is a key subsystem of an emergency traffic-light-preemption system that could be any of the systems described in the three immediately preceding articles and in Systems Would Preempt Traffic Lights for Emergency Vehicles (NPO-30573), NASA Tech Briefs, Vol. 28, No. 10 (October 2004), page 36. This unit is so named because it is installed at an intersection, where it monitors the phases (in the sense of timing) of the traffic lights. The mode of operation of this monitor is independent of the type of traffic-light-controller hardware or software in use at the intersection. Moreover, the design of the monitor is such that (1) the monitor does not, by itself, affect the operation of the traffic- light controller and (2) in the event of a failure of the monitor, the trafficlight controller continues to function normally (albeit without preemption). The monitor is installed in series with the traffic-light controller at an intersection. The control signals of interest are monitored by use of high-impedance taps on affected control lines. These taps are fully isolated and further protected by high-voltage diodes that prevent any voltages or short circuits that arise within the monitor from affecting the controller. The signals from the taps are processed digitally and cleaned up by use of high-speed logic gates, and the resulting data are passed on to other parts of the traffic-light-preemption intersection subsystem. The data are compared continuously with data from vehicles and used to calculate timing for reliable preemption of the traffic lights. The pedestrian crossing at the intersection is also monitored, and pedestrians are warned not to cross during preemption.

Failure at Frame-Stringer Intersections in PRSEUS Panels

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.

2012-01-01

NASA, the Air Force Research Laboratory and The Boeing Company have worked to develop new low-cost, light-weight composite structures for aircraft. A Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) concept has been developed which offers advantages over traditional metallic structures. In this concept a stitched carbon-epoxy material system has been developed with the potential for reducing the weight and cost of transport aircraft structure by eliminating fasteners, thereby reducing part count and labor. By adding unidirectional carbon rods to the top of stiffeners, the panel becomes more structurally efficient. This combination produces a more damage tolerant design. This study focuses on the intersection between the rod-stiffener and the foam-filled frame in a PRSEUS specimen. Compression loading is considered, which induces stress concentrations at the intersection point that can lead to failures. An experiment with accompanying analysis for a single-frame specimen is described, followed by a parametric study of simple reinforcements to reduce strains in the intersection region.

Power of the Poincaré group: elucidating the hidden symmetries in focal conic domains.

PubMed

Alexander, Gareth P; Chen, Bryan Gin-Ge; Matsumoto, Elisabetta A; Kamien, Randall D

2010-06-25

Focal conic domains are typically the "smoking gun" by which smectic liquid crystalline phases are identified. The geometry of the equally spaced smectic layers is highly generic but, at the same time, difficult to work with. In this Letter we develop an approach to the study of focal sets in smectics which exploits a hidden Poincaré symmetry revealed only by viewing the smectic layers as projections from one-higher dimension. We use this perspective to shed light upon several classic focal conic textures, including the concentric cyclides of Dupin, polygonal textures, and tilt-grain boundaries.

Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

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

Shu, Yinan; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu; Hohenstein, Edward G.

2015-01-14

Multireference quantum chemical methods, such as the complete active space self-consistent field (CASSCF) method, have long been the state of the art for computing regions of potential energy surfaces (PESs) where complex, multiconfigurational wavefunctions are required, such as near conical intersections. Herein, we present a computationally efficient alternative to the widely used CASSCF method based on a complete active space configuration interaction (CASCI) expansion built from the state-averaged natural orbitals of configuration interaction singles calculations (CISNOs). This CISNO-CASCI approach is shown to predict vertical excitation energies of molecules with closed-shell ground states similar to those predicted by state averaged (SA)-CASSCFmore » in many cases and to provide an excellent reference for a perturbative treatment of dynamic electron correlation. Absolute energies computed at the CISNO-CASCI level are found to be variationally superior, on average, to other CASCI methods. Unlike SA-CASSCF, CISNO-CASCI provides vertical excitation energies which are both size intensive and size consistent, thus suggesting that CISNO-CASCI would be preferable to SA-CASSCF for the study of systems with multiple excitable centers. The fact that SA-CASSCF and some other CASCI methods do not provide a size intensive/consistent description of excited states is attributed to changes in the orbitals that occur upon introduction of non-interacting subsystems. Finally, CISNO-CASCI is found to provide a suitable description of the PES surrounding a biradicaloid conical intersection in ethylene.« less

Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH( X ˜ / A ˜ ) products in the B-band photodissociation of H2O

NASA Astrophysics Data System (ADS)

Zhou, Linsen; Xie, Daiqian; Guo, Hua

2015-03-01

A detailed quantum mechanical characterization of the photodissociation dynamics of H2O at 121.6 nm is presented. The calculations were performed using a full-dimensional wave packet method on coupled potential energy surfaces of all relevant electronic states. Our state-to-state model permits a detailed analysis of the OH( X ˜ / A ˜ ) product fine-structure populations as a probe of the non-adiabatic dissociation dynamics. The calculated rotational state distributions of the two Λ-doublet levels of OH( X ˜ , v = 0) exhibit very different characteristics. The A' states, produced mostly via the B ˜ → X ˜ conical intersection pathway, have significantly higher populations than the A″ counterparts, which are primarily from the B ˜ → A ˜ Renner-Teller pathway. The former features a highly inverted and oscillatory rotational state distribution, while the latter has a smooth distribution with much less rotational excitation. In good agreement with experiment, the calculated total OH( X ˜ ) rotational state distribution and anisotropy parameters show clear even-odd oscillations, which can be attributed to a quantum mechanical interference between waves emanating from the HOH and HHO conical intersections in the B ˜ → X ˜ non-adiabatic pathway. On the other hand, the experiment-theory agreement for the OH( A ˜ ) fragment is also satisfactory, although some small quantitative differences suggest remaining imperfections of the ab initio based potential energy surfaces.

Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH(X̃/Ã) products in the B-band photodissociation of H2O.

PubMed

Zhou, Linsen; Xie, Daiqian; Guo, Hua

2015-03-28

A detailed quantum mechanical characterization of the photodissociation dynamics of H2O at 121.6 nm is presented. The calculations were performed using a full-dimensional wave packet method on coupled potential energy surfaces of all relevant electronic states. Our state-to-state model permits a detailed analysis of the OH(X̃/Ã) product fine-structure populations as a probe of the non-adiabatic dissociation dynamics. The calculated rotational state distributions of the two Λ-doublet levels of OH(X̃, v = 0) exhibit very different characteristics. The A' states, produced mostly via the B̃→X̃ conical intersection pathway, have significantly higher populations than the A″ counterparts, which are primarily from the B̃→Ã Renner-Teller pathway. The former features a highly inverted and oscillatory rotational state distribution, while the latter has a smooth distribution with much less rotational excitation. In good agreement with experiment, the calculated total OH(X̃) rotational state distribution and anisotropy parameters show clear even-odd oscillations, which can be attributed to a quantum mechanical interference between waves emanating from the HOH and HHO conical intersections in the B̃→X̃ non-adiabatic pathway. On the other hand, the experiment-theory agreement for the OH(Ã) fragment is also satisfactory, although some small quantitative differences suggest remaining imperfections of the ab initio based potential energy surfaces.

A complete system for 3D reconstruction of roots for phenotypic analysis.

PubMed

Kumar, Pankaj; Cai, Jinhai; Miklavcic, Stanley J

2015-01-01

Here we present a complete system for 3D reconstruction of roots grown in a transparent gel medium or washed and suspended in water. The system is capable of being fully automated as it is self calibrating. The system starts with detection of root tips in root images from an image sequence generated by a turntable motion. Root tips are detected using the statistics of Zernike moments on image patches centred on high curvature points on root boundary and Bayes classification rule. The detected root tips are tracked in the image sequence using a multi-target tracking algorithm. Conics are fitted to the root tip trajectories using a novel ellipse fitting algorithm which weighs the data points by its eccentricity. The conics projected from the circular trajectory have a complex conjugate intersection which are image of the circular points. Circular points constraint the image of the absolute conics which are directly related to the internal parameters of the camera. The pose of the camera is computed from the image of the rotation axis and the horizon. The silhouettes of the roots and camera parameters are used to reconstruction the 3D voxel model of the roots. We show the results of real 3D reconstruction of roots which are detailed and realistic for phenotypic analysis.

Cascade conical refraction for annular pumping of a vortex Nd:YAG laser and selective excitation of low- and high-order Laguerre–Gaussian modes

NASA Astrophysics Data System (ADS)

Wu, Yongxiao; Wang, Zhongyang; Chen, Sanbin; Shirakwa, Akira; Ueda, Ken-ichi; Li, Jianlang

2018-05-01

We proposed an efficient and vortex Nd:YAG laser for selective lasing of low- and high-order vortex modes, in which multiple-ring pump light was originated from cascaded conical refraction of multiple biaxial crystals. In our proof of concept demonstration, we used two-crystal cascade conical refraction to generate two-ring pump light; the mutual intensity ratio and relative separation of the inner ring and outer ring were controlled by rotating the second biaxial crystal and by moving the imaging lens, respectively. As a result, we obtained selective excitation of Laguerre–Gaussian (LG01 and LG03) vortex modes in the end-pump Nd:YAG laser. For LG01-mode output, the laser power reached 439 mW with 52.5% slope efficiency; for LG03-mode output, the laser power reached 160 mW with 41.3% slope efficiency. Our results revealed that the multiple-ring pumping technique based on cascaded conical refraction would pave the way for realization of the efficient and switchable excitation of low- and high-order LG modes in an end-pumped solid-state laser.

Characterizing conical refraction optical tweezers.

PubMed

McDonald, C; McDougall, C; Rafailov, E; McGloin, D

2014-12-01

Conical refraction occurs when a beam of light travels through an appropriately cut biaxial crystal. By focusing the conically refracted beam through a high numerical aperture microscope objective, conical refraction optical tweezers can be created, allowing for particle manipulation in both Raman spots, and in the Lloyd/Poggendorff rings. We present a thorough quantification of the trapping properties of such a beam, focusing on the trap stiffness, and how this varies with trap power and trapped particle location. We show that the lower Raman spot can be thought of as a single-beam optical gradient force trap, while radiation pressure dominates in the upper Raman spot, leading to optical levitation rather than trapping. Particles in the Lloyd/Poggendorff rings experience a lower trap stiffness than particles in the lower Raman spot, but benefit from rotational control.

Characterizing conical refraction optical tweezers

NASA Astrophysics Data System (ADS)

McDonald, C.; McDougall, C.; Rafailov, E.; McGloin, D.

2014-12-01

Conical refraction occurs when a beam of light travels through an appropriately cut biaxial crystal. By focussing the conically refracted beam through a high numerical aperture microscope objective, conical refraction optical tweezers can be created, allowing for particle manipulation in both Raman spots and in the Lloyd/Poggendorff rings. We present a thorough quantification of the trapping properties of such a beam, focussing on the trap stiffness and how this varies with trap power and trapped particle location. We show that the lower Raman spot can be thought of as a single-beam optical gradient force trap, while radiation pressure dominates in the upper Raman spot, leading to optical levitation rather than trapping. Particles in the Lloyd/Poggendorff rings experience a lower trap stiffness than particles in the lower Raman spot but benefit from rotational control.

Analysis of red light violation data collected from intersections equipped with red light photo enforcement cameras

DOT National Transportation Integrated Search

2006-03-01

This report presents results from an analysis of about 47,000 red light violation records collected from 11 intersections in the : City of Sacramento, California, by red light photo enforcement cameras between May 1999 and June 2003. The goal of this...

Dispersion of near-infrared laser energy through radicular dentine when using plain or conical tips.

PubMed

Teo, Christine Yi Jia; George, Roy; Walsh, Laurence J

2018-02-01

The aim of this study was to investigate the influence of tip design on patterns of laser energy dispersion through the dentine of tooth roots when using near-infrared diode lasers. Diode laser emissions of 810 or 940 nm were used in combination with optical fiber tips with either conventional plain ends or conical ends, to irradiate tooth roots of oval or round cross-sectional shapes. The lasers were operated in continuous wave mode at 0.5 W for 5 s with the distal end of the fiber tip placed in the apical or coronal third of the root canal at preset positions. Laser light exiting through the roots and apical foramen was imaged, and the extent of lateral spread calculated. There was a significant difference in infrared light exiting the root canal apex between plain and conical fiber tips for both laser wavelengths, with more forward transmission of laser energy through the apex for plain tips. For both laser wavelengths, there were no significant differences in emission patterns when the variable of canal shape was used and all other variables were kept the same (plain vs conical tip, tip position). To ensure optimal treatment effect and to prevent the risks of inadvertent laser effects on the adjacent periapical tissues, it is important to have a good understanding of laser transmission characteristics of the root canal and root dentine. Importantly, it is also essential to understand transmission characteristics of plain and conical fibers tips.

A rigorous approach to the formulation of extended Born-Oppenheimer equation for a three-state system

NASA Astrophysics Data System (ADS)

Sarkar, Biplab; Adhikari, Satrajit

If a coupled three-state electronic manifold forms a sub-Hilbert space, it is possible to express the non-adiabatic coupling (NAC) elements in terms of adiabatic-diabatic transformation (ADT) angles. Consequently, we demonstrate: (a) Those explicit forms of the NAC terms satisfy the Curl conditions with non-zero Divergences; (b) The formulation of extended Born-Oppenheimer (EBO) equation for any three-state BO system is possible only when there exists coordinate independent ratio of the gradients for each pair of ADT angles leading to zero Curls at and around the conical intersection(s). With these analytic advancements, we formulate a rigorous EBO equation and explore its validity as well as necessity with respect to the approximate one (Sarkar and Adhikari, J Chem Phys 2006, 124, 074101) by performing numerical calculations on two different models constructed with different chosen forms of the NAC elements.

PREFACE: XXIst International Symposium on the Jahn-Teller Effect 2012

NASA Astrophysics Data System (ADS)

Koizumi, Hiroyasu

2013-04-01

(The PDF contains the full conference program, the list of sponsors and the conference poster.) The 21st International Symposium on the Jahn-Teller effect was held at the University of Tsukuba, Japan, from 26-31 August 2012. People from 23 different countries participated and the number of registered participants was 118. In this symposium, the phrase 'Jahn-Teller effect' was taken to have a rather broad meaning. We discussed the Jahn-Teller and pseudo Jahn-Teller distortions. We also discussed general vibronic problems, and the problems associated with the conical intersections of the potential energy surfaces. As is indicated in the subtitle of the present symposium, 'Physics and Chemistry of Symmetry Breaking', a number of different topics concerning symmetry breaking were also extensively discussed. In particular, we had many discussions on magnetism, ferroelectricity, and superconductivity. A subtle but important problem that was dealt with was the appearance of multi-valuedness in the use of multi-component wave functions. In the Jahn-Teller problems, we almost always use the multi-component wave functions, thus, the knowledge of the proper handling of multi-valuedness is very important. Digital computers are not good at dealing with multi-valuedness, but we need to somehow handle it in our calculations. A very well known example of successful handling is found in the problem of the molecular system with the conical intersection: we cannot obtain the solution that satisfies the single-valuedness of wave functions (SVWF) just using the potential energy surface generated by a package program, and solving the Schrödinger equation with the quantum Hamiltonian constructed from the classical counterpart by replacing the classical variables with the corresponding operators; however, if a gauge potential is included and the double-valuedness of the electronic wave functions around the conical intersections is taken into account, the solution that satisfies the SVWF is obtained. A related problem also arises when dealing with the so-called adiabatic-diabatic transformation (ADT) that removes coupling terms between different Born-Oppenheimer electronic states. It is known that an exact ADT does not exist in general, however, digital computers do this impossible task erroneously if we just plug in numbers. The results obtained may be good in practice; however, we need to be aware that such calculations may miss some important details. I asked Professor Mead to write a note on this matter since there is still confusion in the treatment of the ADT. The proper handling on the ADT may be a topic in the next Jahn-Teller symposium. Although more than a quarter of a century has passed since its discovery, the mechanism of cuprate superconductivity is still actively discussed. In the cuprate, the multi-valuedness problem arises when the conduction electrons create spin-vortices and the twisting of the spin basis occurs. Since a number of experiments and theories indicate the presence of spin-vortices in the cuprate, a proper handling of the multi-valuedness arising from the spin-degree-of-freedom will be important. It has been argued that such multi-valuedness induces a vector potential that generates the persistent current. As the papers in this proceedings indicate, the Jahn-Teller effects are ubiquitous in physics and chemistry. The ideas and methodologies developed in this community have very wide applicability. I believe that this community will continue to contribute to the advancement of science in a fundamental way. Hiroyasu Koizumi Tsukuba, February 2013 Conference photograph

A Mathematical Description of the PULSAR Doppler Satellite Tracking Data Editor.

DTIC Science & Technology

1982-09-01

D .2.2 Position Derivatives of the Atmospheric Drag Acceleration:9r (con’t) v ( X r (i 1,2,3) (29) j=1’ k=1 re c. is the Levi - Civita density defined...obliquity of the ecliptic. The ecliptic intersects the celestial equator at two points called the vernal equinox and the autumnal equinox, i.e. the...direction to the earth’s rotation and has a period of approximately 26,000 years. , This conical motion is usually treated as the sum of two components

An evaluation of Winnipeg's photo enforcement safety program: results of time series analyses and an intersection camera experiment.

PubMed

Vanlaar, Ward; Robertson, Robyn; Marcoux, Kyla

2014-01-01

The objective of this study was to evaluate the impact of Winnipeg's photo enforcement safety program on speeding, i.e., "speed on green", and red-light running behavior at intersections as well as on crashes resulting from these behaviors. ARIMA time series analyses regarding crashes related to red-light running (right-angle crashes and rear-end crashes) and crashes related to speeding (injury crashes and property damage only crashes) occurring at intersections were conducted using monthly crash counts from 1994 to 2008. A quasi-experimental intersection camera experiment was also conducted using roadside data on speeding and red-light running behavior at intersections. These data were analyzed using logistic regression analysis. The time series analyses showed that for crashes related to red-light running, there had been a 46% decrease in right-angle crashes at camera intersections, but that there had also been an initial 42% increase in rear-end crashes. For crashes related to speeding, analyses revealed that the installation of cameras was not associated with increases or decreases in crashes. Results of the intersection camera experiment show that there were significantly fewer red light running violations at intersections after installation of cameras and that photo enforcement had a protective effect on speeding behavior at intersections. However, the data also suggest photo enforcement may be less effective in preventing serious speeding violations at intersections. Overall, Winnipeg's photo enforcement safety program had a positive net effect on traffic safety. Results from both the ARIMA time series and the quasi-experimental design corroborate one another. However, the protective effect of photo enforcement is not equally pronounced across different conditions so further monitoring is required to improve the delivery of this measure. Results from this study as well as limitations are discussed. Copyright © 2013 Elsevier Ltd. All rights reserved.

Simulating and evaluating an adaptive and integrated traffic lights control system for smart city application

NASA Astrophysics Data System (ADS)

Djuana, E.; Rahardjo, K.; Gozali, F.; Tan, S.; Rambung, R.; Adrian, D.

2018-01-01

A city could be categorized as a smart city when the information technology has been developed to the point that the administration could sense, understand, and control every resource to serve its people and sustain the development of the city. One of the smart city aspects is transportation and traffic management. This paper presents a research project to design an adaptive traffic lights control system as a part of the smart system for optimizing road utilization and reducing congestion. Research problems presented include: (1) Congestion in one direction toward an intersection due to dynamic traffic condition from time to time during the day, while the timing cycles in traffic lights system are mostly static; (2) No timing synchronization among traffic lights in adjacent intersections that is causing unsteady flows; (3) Difficulties in traffic condition monitoring on the intersection and the lack of facility for remotely controlling traffic lights. In this research, a simulator has been built to model the adaptivity and integration among different traffic lights controllers in adjacent intersections, and a case study consisting of three sets of intersections along Jalan K. H. Hasyim Ashari has been simulated. It can be concluded that timing slots synchronization among traffic lights is crucial for maintaining a steady traffic flow.

Wave-vector and polarization dependence of conical refraction.

PubMed

Turpin, A; Loiko, Yu V; Kalkandjiev, T K; Tomizawa, H; Mompart, J

2013-02-25

We experimentally address the wave-vector and polarization dependence of the internal conical refraction phenomenon by demonstrating that an input light beam of elliptical transverse profile refracts into two beams after passing along one of the optic axes of a biaxial crystal, i.e. it exhibits double refraction instead of refracting conically. Such double refraction is investigated by the independent rotation of a linear polarizer and a cylindrical lens. Expressions to describe the position and the intensity pattern of the refracted beams are presented and applied to predict the intensity pattern for an axicon beam propagating along the optic axis of a biaxial crystal.

Blue-detuned optical ring trap for Bose-Einstein condensates based on conical refraction.

PubMed

Turpin, A; Polo, J; Loiko, Yu V; Küber, J; Schmaltz, F; Kalkandjiev, T K; Ahufinger, V; Birkl, G; Mompart, J

2015-01-26

We present a novel approach for the optical manipulation of neutral atoms in annular light structures produced by the phenomenon of conical refraction occurring in biaxial optical crystals. For a beam focused to a plane behind the crystal, the focal plane exhibits two concentric bright rings enclosing a ring of null intensity called the Poggendorff ring. We demonstrate both theoretically and experimentally that the Poggendorff dark ring of conical refraction is confined in three dimensions by regions of higher intensity. We derive the positions of the confining intensity maxima and minima and discuss the application of the Poggendorff ring for trapping ultra-cold atoms using the repulsive dipole force of blue-detuned light. We give analytical expressions for the trapping frequencies and potential depths along both the radial and the axial directions. Finally, we present realistic numerical simulations of the dynamics of a ⁸⁷Rb Bose-Einstein condensate trapped inside the Poggendorff ring which are in good agreement with corresponding experimental results.

Photophoretic trapping of absorbing particles in air and measurement of their single-particle Raman spectra.

PubMed

Pan, Yong-Le; Hill, Steven C; Coleman, Mark

2012-02-27

A new method is demonstrated for optically trapping micron-sized absorbing particles in air and obtaining their single-particle Raman spectra. A 488-nm Gaussian beam from an Argon ion laser is transformed by conical lenses (axicons) and other optics into two counter-propagating hollow beams, which are then focused tightly to form hollow conical beams near the trapping region. The combination of the two coaxial conical beams, with focal points shifted relative to each other along the axis of the beams, generates a low-light-intensity biconical region totally enclosed by the high-intensity light at the surface of the bicone, which is a type of bottle beam. Particles within this region are trapped by the photophoretic forces that push particles toward the low-intensity center of this region. Raman spectra from individual trapped particles made from carbon nanotubes are measured. This trapping technique could lead to the development of an on-line real-time single-particle Raman spectrometer for characterization of absorbing aerosol particles.

SU-E-CAMPUS-T-03: Four-Dimensional Dose Distribution Measurement Using Plastic Scintillator

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

Hashimoto, M; Kozuka, T; Oguchi, M

2014-06-15

Purpose: To develop the detector for the four-dimensional dose distribution measurement. Methods: We made the prototype detector for four-dimensional dose distribution measurement using a cylindrical plastic scintillator (5 cm diameter) and a conical reflection grass. The plastic scintillator is used as a phantom. When the plastic scintillator is irradiated, the scintillation light was emitted according to absorbed dose distribution. The conical reflection grass was arranged to surround the plastic scintillator, which project to downstream the projection images of the scintillation light. Then, the projection image was reflected to 45 degree direction by flat reflection grass, and was recorded by camcorder.more » By reconstructing the three-dimensional dose distribution from the projection image recorded in each frame, we could obtain the four-dimensional dose distribution. First, we tested the characteristic according to the amount of emitted light. Then we compared of the light profile and the dose profile calculated with the radiotherapy treatment planning system. Results: The dose dependency of the amount of light showed linearity. The pixel detecting smaller amount of light had high sensitivity than the pixel detecting larger amount of light. However the difference of the sensitivity could be corrected from the amount of light detected in each pixel. Both of the depth light profile through the conical reflection grass and the depth dose profile showed the same attenuation in the region deeper than peak depth. In lateral direction, the difference of the both profiles was shown at outside field and penumbra region. We consider that the difference is occurred due to the scatter of the scintillation light in the plastic scintillator block. Conclusion: It was possible to obtain the amount of light corresponding to the absorbed dose distribution from the prototype detector. Four-dimensional dose distributions can be reconstructed with high accuracy by the correction of the scattered light.« less

On the dual-cone nature of the conical refraction phenomenon.

PubMed

Turpin, A; Loiko, Yu; Kalkandjiev, T K; Tomizawa, H; Mompart, J

2015-04-15

In conical refraction (CR), a focused Gaussian input beam passing through a biaxial crystal and parallel to one of the optic axes is transformed into a pair of concentric bright rings split by a dark (Poggendorff) ring at the focal plane. Here, we show the generation of a CR transverse pattern that does not present the Poggendorff fine splitting at the focal plane, i.e., it forms a single light ring. This light ring is generated from a nonhomogeneously polarized input light beam obtained by using a spatially inhomogeneous polarizer that mimics the characteristic CR polarization distribution. This polarizer allows modulating the relative intensity between the two CR light cones in accordance with the recently proposed dual-cone model of the CR phenomenon. We show that the absence of interfering rings at the focal plane is caused by the selection of one of the two CR cones.

Automated Announcements of Approaching Emergency Vehicles

NASA Technical Reports Server (NTRS)

Bachelder, Aaron; Foster, Conrad

2006-01-01

Street intersections that are equipped with traffic lights would also be equipped with means for generating audible announcements of approaching emergency vehicles, according to a proposal. The means to generate the announcements would be implemented in the intersection- based subsystems of emergency traffic-light-preemption systems like those described in the two immediately preceding articles and in "Systems Would Preempt Traffic Lights for Emergency Vehicles" (NPO-30573), NASA Tech Briefs, Vol. 28, No. 10 (October 2004), page 36. Preempting traffic lights is not, by itself, sufficient to warn pedestrians at affected intersections that emergency vehicles are approaching. Automated visual displays that warn of approaching emergency vehicles can be helpful as a supplement to preemption of traffic lights, but experience teaches that for a variety of reasons, pedestrians often do not see such displays. Moreover, in noisy and crowded urban settings, the lights and sirens on emergency vehicles are often not noticed until a few seconds before the vehicles arrive. According to the proposal, the traffic-light preemption subsystem at each intersection would generate an audible announcement for example, emergency vehicle approaching, please clear intersection whenever a preemption was triggered. The subsystem would estimate the time of arrival of an approaching emergency vehicle by use of vehicle identity, position, and time data from one or more sources that could include units connected to traffic loops and/or transponders connected to diagnostic and navigation systems in participating emergency vehicles. The intersection-based subsystem would then start the announcement far enough in advance to enable pedestrians to leave the roadway before any emergency vehicles arrive.

Evaluation of low-cost intersection countermeasures to reduce red-light-running violations : retro-reflective signal back plates.

DOT National Transportation Integrated Search

2013-11-01

Red light running has become a serious safety issue at signalized intersections throughout the : United States. One objective of this study was to identify the characteristics of red-light-running (RLR) : crashes and the drivers involved in those cra...

Full-dimensional treatment of short-time vibronic dynamics in a molecular high-order-harmonic-generation process in methane

NASA Astrophysics Data System (ADS)

Patchkovskii, Serguei; Schuurman, Michael S.

2017-11-01

We present derivation and implementation of the multiconfigurational strong-field approximation with Gaussian nuclear wave packets (MC-SFA-GWP)—a version of the molecular strong-field approximation which treats all electronic and nuclear degrees of freedom, including their correlations, quantum mechanically. The technique allows realistic simulation of high-order-harmonic emission in polyatomic molecules without invoking reduced-dimensionality models for the nuclear motion or the electronic structure. We use MC-SFA-GWP to model isotope effects in high-order-harmonic-generation (HHG) spectroscopy of methane. The HHG emission in this molecule transiently involves the strongly vibronically coupled F22 electronic state of the CH4+ cation. We show that the isotopic HHG ratio in methane contains signatures of (a) field-free vibronic dynamics at the conical intersection (CI); (b) resonant features in the recombination cross sections; (c) laser-driven bound-state dynamics; as well as (d) the well-known short-time Gaussian decay of the emission. We assign the intrinsic vibronic feature (a) to a relatively long-lived (≥4 fs) vibronic wave packet of the singly excited ν4 (t2) and ν2 (e ) vibrational modes, strongly coupled to the components of the F22 electronic state. We demonstrate that these physical effects differ in their dependence on the wavelength, intensity, and duration of the driving pulse, allowing them to be disentangled. We thus show that HHG spectroscopy provides a versatile tool for exploring both conical intersections and resonant features in photorecombination matrix elements in the regime not easily accessible with other techniques.

Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.

PubMed

Li, Chun-Xiang; Guo, Wei-Wei; Xie, Bin-Bin; Cui, Ganglong

2016-08-21

Herein we have used combined static electronic structure calculations and "on-the-fly" global-switching trajectory surface-hopping dynamics simulations to explore the photochemical mechanism of oxybenzone sunscreen. We have first employed the multi-configurational CASSCF method to optimize minima, conical intersections, and minimum-energy reaction paths related to excited-state intramolecular proton transfer (ESIPT) and excited-state decays in the (1)ππ(∗), (1)nπ(∗), and S0 states (energies are refined at the higher MS-CASPT2 level). According to the mapped potential energy profiles, we have identified two ultrafast excited-state deactivation pathways for the initially populated (1)ππ(∗) system. The first is the diabatic ESIPT process along the (1)ππ(∗) potential energy profile. The generated (1)ππ(∗) keto species then decays to the S0 state via the keto (1)ππ(∗)/gs conical intersection. The second is internal conversion to the dark (1)nπ(∗) state near the (1)ππ(∗) /(1)nπ(∗) crossing point in the course of the diabatic (1)ππ(∗) ESIPT process. Our following dynamics simulations have shown that the ESIPT and (1)ππ(∗) → S0 internal conversion times are 104 and 286 fs, respectively. Finally, our present work demonstrates that in addition to the ESIPT process and the (1)ππ(∗) → S0 internal conversion in the keto region, the (1)ππ(∗) → (1)nπ(∗) internal conversion in the enol region plays as well an important role for the excited-state relaxation dynamics of oxybenzone.

Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations

NASA Astrophysics Data System (ADS)

Li, Chun-Xiang; Guo, Wei-Wei; Xie, Bin-Bin; Cui, Ganglong

2016-08-01

Herein we have used combined static electronic structure calculations and "on-the-fly" global-switching trajectory surface-hopping dynamics simulations to explore the photochemical mechanism of oxybenzone sunscreen. We have first employed the multi-configurational CASSCF method to optimize minima, conical intersections, and minimum-energy reaction paths related to excited-state intramolecular proton transfer (ESIPT) and excited-state decays in the 1ππ∗, 1nπ∗, and S0 states (energies are refined at the higher MS-CASPT2 level). According to the mapped potential energy profiles, we have identified two ultrafast excited-state deactivation pathways for the initially populated 1ππ∗ system. The first is the diabatic ESIPT process along the 1ππ∗ potential energy profile. The generated 1ππ∗ keto species then decays to the S0 state via the keto 1ππ∗/gs conical intersection. The second is internal conversion to the dark 1nπ∗ state near the 1ππ∗ /1nπ∗ crossing point in the course of the diabatic 1ππ∗ ESIPT process. Our following dynamics simulations have shown that the ESIPT and 1ππ∗ → S0 internal conversion times are 104 and 286 fs, respectively. Finally, our present work demonstrates that in addition to the ESIPT process and the 1ππ∗ → S0 internal conversion in the keto region, the 1ππ∗ → 1nπ∗ internal conversion in the enol region plays as well an important role for the excited-state relaxation dynamics of oxybenzone.

Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling.

PubMed

Peters, William K; Couch, David E; Mignolet, Benoit; Shi, Xuetao; Nguyen, Quynh L; Fortenberry, Ryan C; Schlegel, H Bernhard; Remacle, Françoise; Kapteyn, Henry C; Murnane, Margaret M; Li, Wen

2017-12-26

Highly excited electronic states are challenging to explore experimentally and theoretically-due to the large density of states and the fact that small structural changes lead to large changes in electronic character with associated strong nonadiabatic dynamics. They can play a key role in astrophysical and ionospheric chemistry, as well as the detonation chemistry of high-energy density materials. Here, we implement ultrafast vacuum-UV (VUV)-driven electron-ion coincidence imaging spectroscopy to directly probe the reaction pathways of highly excited states of energetic molecules-in this case, methyl azide. Our data, combined with advanced theoretical simulations, show that photoexcitation of methyl azide by a 10-fs UV pulse at 8 eV drives fast structural changes and strong nonadiabatic coupling that leads to relaxation to other excited states on a surprisingly fast timescale of 25 fs. This ultrafast relaxation differs from dynamics occurring on lower excited states, where the timescale required for the wavepacket to reach a region of strong nonadiabatic coupling is typically much longer. Moreover, our theoretical calculations show that ultrafast relaxation of the wavepacket to a lower excited state occurs along one of the conical intersection seams before reaching the minimum energy conical intersection. These findings are important for understanding the unique strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules. Although such observations have been predicted for many years, this study represents one of the few where such strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules have been conclusively observed directly, making it possible to identify the ultrafast reaction pathways.

Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states

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

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

A surface-hopping extension of the coupled coherent states-method [D. Shalashilin and M. Child, Chem. Phys. 304, 103-120 (2004)] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schrödinger equation for the motion of the nuclei is solved in a moving basis set. The basis set is guided by classical trajectories, which can hop stochastically between different electronic potential energy surfaces. The non-adiabatic transitions are modelled by a modified version of Tully’s fewest switches algorithm. The trajectories consist of Gaussians in the phase space of the nuclei (coherent states) combined with amplitudes for an electronicmore » wave function. The time-dependent matrix elements between different coherent states determine the amplitude of each trajectory in the total multistate wave function; the diagonal matrix elements determine the hopping probabilities and gradients. In this way, both interference effects and non-adiabatic transitions can be described in a very compact fashion, leading to the exact solution if convergence with respect to the number of trajectories is achieved and the potential energy surfaces are known globally. The method is tested on a 2D model for a conical intersection [A. Ferretti, J. Chem. Phys. 104, 5517 (1996)], where a nuclear wavepacket encircles the point of degeneracy between two potential energy surfaces and interferes with itself. These interference effects are absent in classical trajectory-based molecular dynamics but can be fully incorpo rated if trajectories are replaced by surface hopping coupled coherent states.« less

Electronic excited state paths of Stone-Wales rearrangement in pyrene: roles of conical intersections.

PubMed

Yamazaki, Kaoru; Niitsu, Naoyuki; Nakamura, Kosuke; Kanno, Manabu; Kono, Hirohiko

2012-11-26

We investigated the reaction paths of Stone-Wales rearrangement (SWR), i.e., π/2 rotation of two carbon atoms with respect to the midpoint of the bond, in graphene and carbon nanotube quantum chemically. Our particular attention is focused on the roles of electronic excitations and conical intersections (CIs) in the reaction mechanism. We used pyrene as a model system. The reaction paths were determined by constructing potential energy surfaces at the MS-CASPT2//SA-CASSCF level of theory. We found that there are no CIs involved in SWR when both of C-C bond cleavage and formation occur simultaneously (concerted mechanism). In contrast, for the reaction path with stepwise cleavage and formation of C-C bonds, C-C bond breaking and making processes proceed through two CIs. When SWR starts from the ground (S(0)) state, the concerted and stepwise paths have an equivalent reaction barrier ΔE(‡) (9.5-9.6 eV). For the reaction path starting from excited states, only the stepwise mechanism is energetically preferable. This path contains a nonadabatic transition between the S(1) and S(0) states via a CI associated with the first stage of C-C bond cleavage and has ΔE(‡) as large as in the S(0) paths. We confirmed that the main active molecular orbitals and electron configurations for the low-lying electronic states of larger nanocarbons are the same as those in pyrene. This result suggests the importance of the nonadiabatic transitions through CIs in the photochemical reactions in large nanocarbons.

Generalized probabilistic theories and conic extensions of polytopes

NASA Astrophysics Data System (ADS)

Fiorini, Samuel; Massar, Serge; Patra, Manas K.; Tiwary, Hans Raj

2015-01-01

Generalized probabilistic theories (GPT) provide a general framework that includes classical and quantum theories. It is described by a cone C and its dual C*. We show that whether some one-way communication complexity problems can be solved within a GPT is equivalent to the recently introduced cone factorization of the corresponding communication matrix M. We also prove an analogue of Holevo's theorem: when the cone C is contained in {{{R}}n}, the classical capacity of the channel realized by sending GPT states and measuring them is bounded by log n. Polytopes and optimising functions over polytopes arise in many areas of discrete mathematics. A conic extension of a polytope is the intersection of a cone C with an affine subspace whose projection onto the original space yields the desired polytope. Extensions of polytopes can sometimes be much simpler geometric objects than the polytope itself. The existence of a conic extension of a polytope is equivalent to that of a cone factorization of the slack matrix of the polytope, on the same cone. We show that all 0/1 polytopes whose vertices can be recognized by a polynomial size circuit, which includes as a special case the travelling salesman polytope and many other polytopes from combinatorial optimization, have small conic extension complexity when the cone is the completely positive cone. Using recent exponential lower bounds on the linear extension complexity of polytopes, this provides an exponential gap between the communication complexity of GPT based on the completely positive cone and classical communication complexity, and a conjectured exponential gap with quantum communication complexity. Our work thus relates the communication complexity of generalizations of quantum theory to questions of mainstream interest in the area of combinatorial optimization.

Effects of digital countdown timer on intersection safety and efficiency: A systematic review.

PubMed

Fu, Chuanyun; Zhang, Yaping; Qi, Weiwei; Cheng, Shaowu

2016-01-01

To investigate the available evidence referring to the effectiveness of digital countdown timers (DCTs) in improving the safety and operational efficiency of signalized intersection. A systematic review was performed according to the Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) statement guidelines. Relevant literature was searched from electronic databases using key terms. Based on study selection and methodological quality assessment, 14 studies were included in the review. Findings of the studies were synthesized in a narrative analysis. Three types of DCT had different effects on intersection safety and operational efficiency. Green signal countdown timers (GSCTs) reduced red light violations, type I dilemma zone distributions, and rear-end collision likelihood but increased crossing after yellow onset and had mixed impacts on type II dilemma zone distributions and intersection capacity. In contrast, red signal countdown timers (RSCTs) increased intersection capacity, although their effectiveness in reducing red light violations dissipated over time. Likewise, continuous countdown timers (CCTs) significantly enhanced intersection capacity but had mixed influences on red light violations and crossing after yellow onset. Due to the limited and inconsistent evidence regarding DCTs' effects on intersection safety and efficiency, it is not sufficient to recommend any type of DCT to be installed at signalized intersections to improve safety and operational efficiency. Nevertheless, it is apparent that both RSCTs and CCTs enhance intersection capacity, though their impacts on intersection safety are unclear. Future studies need to further verify those anticipated safe and operational benefits of DCTs with enriched field observation data.

Coupled-mode theory and Fano resonances in guided-mode resonant gratings: the conical diffraction mounting.

PubMed

Bykov, Dmitry A; Doskolovich, Leonid L; Soifer, Victor A

2017-01-23

We study resonances of guided-mode resonant gratings in conical mounting. By developing 2D time-dependent coupled-mode theory we obtain simple approximations of the transmission and reflection coefficients. Being functions of the incident light's frequency and in-plane wave vector components, the obtained approximations can be considered as multi-variable generalizations of the Fano line shape. We show that the approximations are in good agreement with the rigorously calculated transmission and reflection spectra. We use the developed theory to investigate angular tolerances of the considered structures and to obtain mode excitation conditions. In particular, we obtain the cross-polarization mode excitation conditions in the case of conical mounting.

The Power of Poincaré: Elucidating the Hidden Symmetries in Focal Conic Domains

NASA Astrophysics Data System (ADS)

Matsumoto, Elisabetta A.; Alexander, Gareth P.; Chen, Bryan Gin-Ge; Kamien, Randall D.

2011-03-01

Focal conic domains are typically the ``smoking gun'' by which smectic liquid crystalline phases are identified. The geometry of the equally spaced smectic layers is highly generic but, at the same time, difficult to work with. We develop an approach to the study of focal sets in smectics which exploits a hidden Poincaré symmetry revealed only by viewing the smectic layers as projections from one-higher dimension. We use this perspective to shed light upon the concentric cyclides of Dupin and several classic focal conic textures which exhibit a more widespread level of geometric organization as in Friedel's law of corresponding cones, the networks and trellises expounded by Bouligand, or Apollonian packings.

Traffic light detection and intersection crossing using mobile computer vision

NASA Astrophysics Data System (ADS)

Grewei, Lynne; Lagali, Christopher

2017-05-01

The solution for Intersection Detection and Crossing to support the development of blindBike an assisted biking system for the visually impaired is discussed. Traffic light detection and intersection crossing are key needs in the task of biking. These problems are tackled through the use of mobile computer vision, in the form of a mobile application on an Android phone. This research builds on previous Traffic Light detection algorithms with a focus on efficiency and compatibility on a resource-limited platform. Light detection is achieved through blob detection algorithms utilizing training data to detect patterns of Red, Green and Yellow in complex real world scenarios where multiple lights may be present. Also, issues of obscurity and scale are addressed. Safe Intersection crossing in blindBike is also discussed. This module takes a conservative "assistive" technology approach. To achieve this blindBike use's not only the Android device but, an external bike cadence Bluetooth/Ant enabled sensor. Real world testing results are given and future work is discussed.

Conical Lipids in Flat Bilayers Induce Packing Defects Similar to that Induced by Positive Curvature

PubMed Central

Vamparys, Lydie; Gautier, Romain; Vanni, Stefano; Bennett, W.F. Drew; Tieleman, D. Peter; Antonny, Bruno; Etchebest, Catherine; Fuchs, Patrick F.J.

2013-01-01

In biological membranes, changes in lipid composition or mechanical deformations produce defects in the geometrical arrangement of lipids, thus allowing the adsorption of certain peripheral proteins. Here, we perform molecular dynamics simulations on bilayers containing a cylindrical lipid (PC) and a conical lipid (DOG). Profiles of atomic density and lateral pressure across the bilayer show differences in the acyl chain region due to deeper partitioning of DOG compared to PC. However, such analyses are less informative for the interfacial region where peripheral proteins adsorb. To circumvent this limitation, we develop, to our knowledge, a new method of membrane surface analysis. This method allows the identification of chemical defects, where hydrocarbon chains are accessible to the solvent, and geometrical defects, i.e., voids deeper than the glycerol backbone. The size and number of both types of defects increase with the number of monounsaturated acyl chains in PC and with the introduction of DOG, although the defects do not colocalize with the conical lipid. Interestingly, the size and probability of the defects promoted by DOG resemble those induced by positive curvature, thus explaining why conical lipids and positive curvature can both drive the adsorption of peripheral proteins that use hydrophobic residues as membrane anchors. PMID:23442909

Intersection-Controller Software Module

NASA Technical Reports Server (NTRS)

Bachelder, Aaron; Foster, Conrad

2005-01-01

An important part of the emergency-vehicle traffic-light-preemption system summarized in the preceding article is a software module executed by a microcontroller in each intersection controller. This module monitors the broadcasts from all nearby participating emergency vehicles and intersections. It gathers the broadcast data pertaining to the positions and velocities of the vehicles and the timing of traffic and pedestrian lights and processes the data into predictions of the future positions of the vehicles. Analyzing the predictions by a combination of proximity tests, map-matching techniques, and statistical calculations designed to minimize the adverse effects of uncertainties in vehicle positions and headings, the module decides whether to preempt and issues the appropriate commands to the traffic lights, pedestrian lights, and electronic warning signs at the intersection. The module also broadcasts its state to all nearby vehicles and intersections. The module is designed to mitigate the effects of missing data and of unpredictable delays in the system. It has been intensively tested and refined so that it fails to warn in very few cases and issues very few false warnings.

The differential equation of an arbitrary reflecting surface

NASA Astrophysics Data System (ADS)

Melka, Richard F.; Berrettini, Vincent D.; Yousif, Hashim A.

2018-05-01

A differential equation describing the reflection of a light ray incident upon an arbitrary reflecting surface is obtained using the law of reflection. The derived equation is written in terms of a parameter and the value of this parameter determines the nature of the reflecting surface. Under various parametric constraints, the solution of the differential equation leads to the various conic surfaces but is not generally solvable. In addition, the dynamics of the light reflections from the conic surfaces are executed in the Mathematica software. Our derivation is the converse of the traditional approach and our analysis assumes a relation between the object distance and the image distance. This leads to the differential equation of the reflecting surface.

Effects of red light camera enforcement on fatal crashes in large U.S. cities.

PubMed

Hu, Wen; McCartt, Anne T; Teoh, Eric R

2011-08-01

To estimate the effects of red light camera enforcement on per capita fatal crash rates at intersections with signal lights. From the 99 large U.S. cities with more than 200,000 residents in 2008, 14 cities were identified with red light camera enforcement programs for all of 2004-2008 but not at any time during 1992-1996, and 48 cities were identified without camera programs during either period. Analyses compared the citywide per capita rate of fatal red light running crashes and the citywide per capita rate of all fatal crashes at signalized intersections during the two study periods, and rate changes then were compared for cities with and without cameras programs. Poisson regression was used to model crash rates as a function of red light camera enforcement, land area, and population density. The average annual rate of fatal red light running crashes declined for both study groups, but the decline was larger for cities with red light camera enforcement programs than for cities without camera programs (35% vs. 14%). The average annual rate of all fatal crashes at signalized intersections decreased by 14% for cities with camera programs and increased slightly (2%) for cities without cameras. After controlling for population density and land area, the rate of fatal red light running crashes during 2004-2008 for cities with camera programs was an estimated 24% lower than what would have been expected without cameras. The rate of all fatal crashes at signalized intersections during 2004-2008 for cities with camera programs was an estimated 17% lower than what would have been expected without cameras. Red light camera enforcement programs were associated with a statistically significant reduction in the citywide rate of fatal red light running crashes and a smaller but still significant reduction in the rate of all fatal crashes at signalized intersections. The study adds to the large body of evidence that red light camera enforcement can prevent the most serious crashes. Communities seeking to reduce crashes at intersections should consider this evidence. Copyright © 2011 Elsevier Ltd. All rights reserved.

Photodissociation dynamics of H2O at 111.5 nm by a vacuum ultraviolet free electron laser

NASA Astrophysics Data System (ADS)

Wang, Heilong; Yu, Yong; Chang, Yao; Su, Shu; Yu, Shengrui; Li, Qinming; Tao, Kai; Ding, Hongli; Yang, Jaiyue; Wang, Guanglei; Che, Li; He, Zhigang; Chen, Zhichao; Wang, Xingan; Zhang, Weiqing; Dai, Dongxu; Wu, Guorong; Yuan, Kaijun; Yang, Xueming

2018-03-01

Photodissociation dynamics of H2O via the F ˜ state at 111.5 nm were investigated using the high resolution H-atom Rydberg "tagging" time-of-flight (TOF) technique, in combination with the tunable vacuum ultraviolet free electron laser at the Dalian Coherent Light Source. The product translational energy distributions and angular distributions in both parallel and perpendicular directions were derived from the recorded TOF spectra. Based on these distributions, the quantum state distributions and angular anisotropy parameters of OH (X) and OH (A) products have been determined. For the OH (A) + H channel, highly rotationally excited OH (A) products have been observed. These products are ascribed to a fast direct dissociation on the B ˜ 1A1 state surface after multi-step internal conversions from the initial excited F ˜ state to the B ˜ state. While for the OH (X) + H channel, very highly rotationally excited OH (X) products with moderate vibrational excitation are revealed and attributed to the dissociation via a nonadiabatic pathway through the well-known two conical intersections between the B ˜ -state and the X ˜ -state surfaces.

Red light running camera assessment.

DOT National Transportation Integrated Search

2011-04-01

In the 2004-2007 period, the Mission Street SE and 25th Street SE intersection in Salem, Oregon showed relatively few crashes attributable to red light running (RLR) but, since a high number of RLR violations were observed, the intersection was ident...

Empirical observations of red light running at arterial signalized intersection.

DOT National Transportation Integrated Search

2008-12-01

Red Light Running (RLR) has become an increasely national safety issue at signalized intersections. : Significant efforts have been made to understand the RLR related driver behaviors and develop : countermeasures to reduce RLR and its related crashe...

Energy-switching potential energy surface for ground-state C3

NASA Astrophysics Data System (ADS)

Rocha, C. M. R.; Varandas, A. J. C.

2018-05-01

The multiple energy switching scheme [J. Chem. Phys. 119 (2003) 2596] has been used to improve the double many-body expansion (DMBE II) potential energy surface of C3 near its linear global minima by morphing it with an accurate Taylor-series expansion [J. Chem. Phys. 144 (2016) 044307]. The final ES form attains the accuracy of the local form in reproducing the rovibrational spectrum of C3 while keeping unaltered all key attributes of the original DMBE II, namely conical intersection seams and dissociative channels. The ES form is therefore commended for adiabatic spectroscopic and reaction dynamics studies.

Photonic bandgap narrowing in conical hollow core Bragg fibers

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

Ozturk, Fahri Emre; Yildirim, Adem; Kanik, Mehmet

2014-08-18

We report the photonic bandgap engineering of Bragg fibers by controlling the thickness profile of the fiber during the thermal drawing. Conical hollow core Bragg fibers were produced by thermal drawing under a rapidly alternating load, which was applied by introducing steep changes to the fiber drawing speed. In conventional cylindrical Bragg fibers, light is guided by omnidirectional reflections from interior dielectric mirrors with a single quarter wave stack period. In conical fibers, the diameter reduction introduced a gradient of the quarter wave stack period along the length of the fiber. Therefore, the light guided within the fiber encountered slightlymore » smaller dielectric layer thicknesses at each reflection, resulting in a progressive blueshift of the reflectance spectrum. As the reflectance spectrum shifts, longer wavelengths of the initial bandgap cease to be omnidirectionally reflected and exit through the cladding, which narrows the photonic bandgap. A narrow transmission bandwidth is particularly desirable in hollow waveguide mid-infrared sensing schemes, where broadband light is coupled to the fiber and the analyte vapor is introduced into the hollow core to measure infrared absorption. We carried out sensing simulations using the absorption spectrum of isopropyl alcohol vapor to demonstrate the importance of narrow bandgap fibers in chemical sensing applications.« less

A Compact Laboratory Spectro-Goniometer (CLabSpeG) to Assess the BRDF of Materials. Presentation, Calibration and Implementation on Fagus sylvatica L. Leaves

PubMed Central

Biliouris, Dimitrios; Verstraeten, Willem W.; Dutré, Phillip; van Aardt, Jan A.N.; Muys, Bart; Coppin, Pol

2007-01-01

The design and calibration of a new hyperspectral Compact Laboratory Spectro-Goniometer (CLabSpeG) is presented. CLabSpeG effectively measures the bidirectional reflectance Factor (BRF) of a sample, using a halogen light source and an Analytical Spectral Devices (ASD) spectroradiometer. The apparatus collects 4356 reflectance data readings covering the spectrum from 350 nm to 2500 nm by independent positioning of the sensor, sample holder, and light source. It has an azimuth and zenith resolution of 30 and 15 degrees, respectively. CLabSpeG is used to collect BRF data and extract Bidirectional Reflectance Distribution Function (BRDF) data of non-isotropic vegetation elements such as bark, soil, and leaves. Accurate calibration has ensured robust geometric accuracy of the apparatus, correction for the conicality of the light source, while sufficient radiometric stability and repeatability between measurements are obtained. The bidirectional reflectance data collection is automated and remotely controlled and takes approximately two and half hours for a BRF measurement cycle over a full hemisphere with 125 cm radius and 2.4 minutes for a single BRF acquisition. A specific protocol for vegetative leaf collection and measurement was established in order to investigate the possibility to extract BRDF values from Fagus sylvatica L. leaves under laboratory conditions. Drying leaf effects induce a reflectance change during the BRF measurements due to the laboratory illumination source. Therefore, the full hemisphere could not be covered with one leaf. Instead 12 BRF measurements per leaf were acquired covering all azimuth positions for a single light source zenith position. Data are collected in radiance format and reflectance is calculated by dividing the leaf cycle measurement with a radiance cycle of a Spectralon reference panel, multiplied by a Spectralon reflectance correction factor and a factor to correct for the conical effect of the light source. BRF results of measured leaves are presented. PMID:28903201

A Compact Laboratory Spectro-Goniometer (CLabSpeG) to Assess the BRDF of Materials. Presentation, Calibration and Implementation on Fagus sylvatica L. Leaves.

PubMed

Biliouris, Dimitrios; Verstraeten, Willem W; Dutré, Phillip; Van Aardt, Jan A N; Muys, Bart; Coppin, Pol

2007-09-07

The design and calibration of a new hyperspectral Compact Laboratory Spectro-Goniometer (CLabSpeG) is presented. CLabSpeG effectively measures the bidirectionalreflectance Factor (BRF) of a sample, using a halogen light source and an AnalyticalSpectral Devices (ASD) spectroradiometer. The apparatus collects 4356 reflectance datareadings covering the spectrum from 350 nm to 2500 nm by independent positioning of thesensor, sample holder, and light source. It has an azimuth and zenith resolution of 30 and15 degrees, respectively. CLabSpeG is used to collect BRF data and extract BidirectionalReflectance Distribution Function (BRDF) data of non-isotropic vegetation elements suchas bark, soil, and leaves. Accurate calibration has ensured robust geometric accuracy of theapparatus, correction for the conicality of the light source, while sufficient radiometricstability and repeatability between measurements are obtained. The bidirectionalreflectance data collection is automated and remotely controlled and takes approximatelytwo and half hours for a BRF measurement cycle over a full hemisphere with 125 cmradius and 2.4 minutes for a single BRF acquisition. A specific protocol for vegetative leafcollection and measurement was established in order to investigate the possibility to extractBRDF values from Fagus sylvatica L. leaves under laboratory conditions. Drying leafeffects induce a reflectance change during the BRF measurements due to the laboratorySensors 2007, 7 1847 illumination source. Therefore, the full hemisphere could not be covered with one leaf. Instead 12 BRF measurements per leaf were acquired covering all azimuth positions for a single light source zenith position. Data are collected in radiance format and reflectance is calculated by dividing the leaf cycle measurement with a radiance cycle of a Spectralon reference panel, multiplied by a Spectralon reflectance correction factor and a factor to correct for the conical effect of the light source. BRF results of measured leaves are presented.

Optical control of resonant light transmission for an atom-cavity system

NASA Astrophysics Data System (ADS)

Sharma, Arijit; Ray, Tridib; Sawant, Rahul V.; Sheikholeslami, G.; Rangwala, S. A.; Budker, D.

2015-04-01

We demonstrate the manipulation of transmitted light through an optical Fabry-Pérot cavity, built around a spectroscopy cell containing enriched rubidium vapor. Light resonant with the 87RbD2 (F =2 ,F =1 ) ↔F' manifold is controlled by the transverse intersection of the cavity mode by another resonant light beam. The cavity transmission can be suppressed or enhanced depending on the coupling of atomic states due to the intersecting beams. The extreme manifestation of the cavity-mode control is the precipitous destruction (negative logic switching) or buildup (positive logic switching) of the transmitted light intensity on intersection of the transverse control beam with the cavity mode. Both the steady-state and transient responses are experimentally investigated. The mechanism behind the change in cavity transmission is discussed in brief.

Monte Carlo analysis for the determination of the conic constant of an aspheric micro lens based on a scanning white light interferometric measurement

NASA Astrophysics Data System (ADS)

Gugsa, Solomon A.; Davies, Angela

2005-08-01

Characterizing an aspheric micro lens is critical for understanding the performance and providing feedback to the manufacturing. We describe a method to find the best-fit conic of an aspheric micro lens using a least squares minimization and Monte Carlo analysis. Our analysis is based on scanning white light interferometry measurements, and we compare the standard rapid technique where a single measurement is taken of the apex of the lens to the more time-consuming stitching technique where more surface area is measured. Both are corrected for tip/tilt based on a planar fit to the substrate. Four major parameters and their uncertainties are estimated from the measurement and a chi-square minimization is carried out to determine the best-fit conic constant. The four parameters are the base radius of curvature, the aperture of the lens, the lens center, and the sag of the lens. A probability distribution is chosen for each of the four parameters based on the measurement uncertainties and a Monte Carlo process is used to iterate the minimization process. Eleven measurements were taken and data is also chosen randomly from the group during the Monte Carlo simulation to capture the measurement repeatability. A distribution of best-fit conic constants results, where the mean is a good estimate of the best-fit conic and the distribution width represents the combined measurement uncertainty. We also compare the Monte Carlo process for the stitched data and the not stitched data. Our analysis allows us to analyze the residual surface error in terms of Zernike polynomials and determine uncertainty estimates for each coefficient.

Safety Evaluation of Red Light Running Camera Intersections in Illinois

DOT National Transportation Integrated Search

2017-04-01

As a part of this research, the safety performance of red light running (RLR) camera systems was evaluated for a sample of 41 intersections and 60 RLR camera approaches located on state routes under IDOTs jurisdiction in the Chicago suburbs. Compr...

Closed Paths of Light Trapped in a Closed Fermat Curve

ERIC Educational Resources Information Center

Dana-Picard, Thierry; Naiman, Aaron

2002-01-01

Geometric constructions have previously been shown that can be interpreted as rays of light trapped either in polygons or in conics, by successive reflections. The same question, trapping light in closed Fermat curves, is addressed here. Numerical methods are used to study the behaviour of the reflection points of a triangle when the degree of the…

Latent heat of vehicular motion

NASA Astrophysics Data System (ADS)

Ahmadi, Farzad; Berrier, Austin; Habibi, Mohammad; Boreyko, Jonathan

2016-11-01

We have used the thermodynamic concept of latent heat, where a system loses energy due to a solid-to-liquid phase transition, to study the flow of a group of vehicles moving from rest. During traffic flow, drivers keep a large distance from the car in front of them to ensure safe driving. When a group of cars comes to a stop, for example at a red light, drivers voluntarily induce a "phase transition" from this "liquid phase" to a close-packed "solid phase." This phase transition is motivated by the intuition that maximizing displacement before stopping will minimize the overall travel time. To test the effects of latent heat on flow efficiency, a drone captured the dynamics of cars flowing through an intersection on a Smart Road where the initial spacing between cars at the red light was systematically varied. By correlating the experimental results with the Optimal Velocity Model (OVM), we find that the convention of inducing phase transitions at intersections offers no benefit, as the lag time (latent heat) of resumed flow offsets the initial increase in displacement. These findings suggest that in situations where gridlock is not an issue, drivers should not decrease their spacing during stoppages in order to maximize safety with no loss in flow efficiency.

High efficiency conical scanner for earth resources applications

NASA Technical Reports Server (NTRS)

Bates, J. C.; Dumas, H. J., Jr.

1975-01-01

A description is given of a six-arm conical scanner which was selected to provide a continuous line-of-sight scan. Two versions of the instrument are considered. The two versions differ in their weight. The weight of the heavy version is 600 lbs. A light weight design which employs beryllium and aluminum optical components weighs only 350 lbs. A multiplexer and analog-to-digital converter are to be incorporated into the design. Questions of instrument performance are also discussed.

Azole energetic materials: Initial mechanisms for the energy release from electronical excited nitropyrazoles

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

Yuan, Bing; Yu, Zijun; Bernstein, Elliot R., E-mail: erb@lamar.Colostate.edu

2014-01-21

Decomposition of energetic material 3,4-dinitropyrazole (DNP) and two model molecules 4-nitropyrazole and 1-nitropyrazole is investigated both theoretically and experimentally. The initial decomposition mechanisms for these three nitropyrazoles are explored with complete active space self-consistent field (CASSCF) level. The NO molecule is observed as an initial decomposition product from all three materials subsequent to UV excitation. Observed NO products are rotationally cold (<50 K) for all three systems. The vibrational temperature of the NO product from DNP is (3850 ± 50) K, 1350 K hotter than that of the two model species. Potential energy surface calculations at the CASSCF(12,8)/6-31+G(d) level illustratemore » that conical intersections plays an essential role in the decomposition mechanism. Electronically excited S{sub 2} nitropyraozles can nonradiatively relax to lower electronic states through (S{sub 2}/S{sub 1}){sub CI} and (S{sub 1}/S{sub 0}){sub CI} conical intersection and undergo a nitro-nitrite isomerization to generate NO product either in the S{sub 1} state or S{sub 0} state. In model systems, NO is generated in the S{sub 1} state, while in the energetic material DNP, NO is produced on the ground state surface, as the S{sub 1} decomposition pathway is energetically unavailable. The theoretically predicted mechanism is consistent with the experimental results, as DNP decomposes in a lower electronic state than do the model systems and thus the vibrational energy in the NO product from DNP should be hotter than from the model systems. The observed rotational energy distributions for NO are consistent with the final structures of the respective transition states for each molecule.« less

Initial decomposition mechanism for the energy release from electronically excited energetic materials: FOX-7 (1,1-diamino-2,2-dinitroethene, C{sub 2}H{sub 4}N{sub 4}O{sub 4})

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

Yuan, Bing; Yu, Zijun; Bernstein, Elliot R., E-mail: erb@lamar.Colostate.edu

Decomposition of the energetic material FOX-7 (1,1-diamino-2,2-dinitroethylene, C{sub 2}H{sub 4}N{sub 4}O{sub 4}) is investigated both theoretically and experimentally. The NO molecule is observed as an initial decomposition product subsequent to electronic excitation. The observed NO product is rotationally cold (<35 K) and vibrationally hot (2800 K). The initial decomposition mechanism is explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) level illustrate that conical intersections play an essential role in the decomposition mechanism. Electronically excited S{sub 2} FOX-7 can radiationlessly relax to lower electronic states through (S{sub 2}/S{sub 1}){sub CI} and (S{submore » 1}/S{sub 0}){sub CI} conical intersections and undergo a nitro-nitrite isomerization to generate NO product on the S{sub 0} state. The theoretically predicted mechanism is consistent with the experimental results. As FOX-7 decomposes on the ground electronic state, thus, the vibrational energy of the NO product from FOX-7 is high. The observed rotational energy distribution for NO is consistent with the final transition state structure on the S{sub 0} state. Ground state FOX-7 decomposition agrees with previous work: the nitro-nitrite isomerization has the lowest average energy barrier, the C–NH{sub 2} bond cleavage is unlikely under the given excitation conditions, and HONO formation on the ground state surface is energy accessible but not the main process.« less

Electronic and Structural Elements That Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives

PubMed Central

2015-01-01

The excited-state dynamics of the purine free base and 9-methylpurine are investigated using experimental and theoretical methods. Femtosecond broadband transient absorption experiments reveal that excitation of these purine derivatives in aqueous solution at 266 nm results primarily in ultrafast conversion of the S2(ππ*) state to the vibrationally excited 1nπ* state. Following vibrational and conformational relaxation, the 1nπ* state acts as a doorway state in the efficient population of the triplet manifold with an intersystem crossing lifetime of hundreds of picoseconds. Experiments show an almost 2-fold increase in the intersystem crossing rate on going from polar aprotic to nonpolar solvents, suggesting that a solvent-dependent energy barrier must be surmounted to access the singlet-to-triplet crossing region. Ab initio static and surface-hopping dynamics simulations lend strong support to the proposed relaxation mechanism. Collectively, the experimental and computational results demonstrate that the accessibility of the nπ* states and the topology of the potential energy surfaces in the vicinity of conical intersections are key elements in controlling the excited-state dynamics of the purine derivatives. From a structural perspective, it is shown that the purine chromophore is not responsible for the ultrafast internal conversion in the adenine and guanine monomers. Instead, C6 functionalization plays an important role in regulating the rates of radiative and nonradiative relaxation. C6 functionalization inhibits access to the 1nπ* state while simultaneously facilitating access to the 1ππ*(La)/S0 conical intersection, such that population of the 1nπ* state cannot compete with the relaxation pathways to the ground state involving ring puckering at the C2 position. PMID:25763596

Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems

NASA Astrophysics Data System (ADS)

Xie, Changjian; Malbon, Christopher L.; Yarkony, David R.; Guo, Hua

2017-07-01

The incorporation of the geometric phase in single-state adiabatic dynamics near a conical intersection (CI) seam has so far been restricted to molecular systems with high symmetry or simple model Hamiltonians. This is due to the fact that the ab initio determined derivative coupling (DC) in a multi-dimensional space is not curl-free, thus making its line integral path dependent. In a recent work [C. L. Malbon et al., J. Chem. Phys. 145, 234111 (2016)], we proposed a new and general approach based on an ab initio determined diabatic representation consisting of only two electronic states, in which the DC is completely removable, so that its line integral is path independent in the simply connected domains that exclude the CI seam. Then with the CIs included, the line integral of the single-valued DC can be used to construct the complex geometry-dependent phase needed to exactly eliminate the double-valued character of the real-valued adiabatic electronic wavefunction. This geometry-dependent phase gives rise to a vector potential which, when included in the adiabatic representation, rigorously accounts for the geometric phase in a system with an arbitrary locus of the CI seam and an arbitrary number of internal coordinates. In this work, we demonstrate this approach in a three-dimensional treatment of the tunneling facilitated dissociation of the S1 state of phenol, which is affected by a Cs symmetry allowed but otherwise accidental seam of CI. Here, since the space is three-dimensional rather than two-dimensional, the seam is a curve rather than a point. The nodal structure of the ground state vibronic wavefunction is shown to map out the seam of CI.

Short-time dynamics of 2-thiouracil in the light absorbing S{sub 2}(ππ{sup ∗}) state

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

Jiang, Jie; Zhang, Teng-shuo; Xue, Jia-dan

2015-11-07

Ultrahigh quantum yields of intersystem crossing to the lowest triplet state T{sub 1} are observed for 2-thiouracils (2TU), which is in contrast to the natural uracils that predominantly exhibit ultrafast internal conversion to the ground state upon excitation to the singlet excited state. The intersystem crossing mechanism of 2TU has recently been investigated using second-order perturbation methods with a high-level complete-active space self-consistent field. Three competitive nonadiabatic pathways to the lowest triplet state T{sub 1} from the initially populated singlet excited state S{sub 2} were proposed. We investigate the initial decay dynamics of 2TU from the light absorbing excited statesmore » using resonance Raman spectroscopy, time-dependent wave-packet theory in the simple model, and complete-active space self-consistent field (CASSCF) and time dependent-Becke’s three-parameter exchange and correlation functional with the Lee-Yang-Parr correlation functional (TD-B3LYP) calculations. The obtained short-time structural dynamics in easy-to-visualize internal coordinates were compared with the CASSCF(16,11) predicted key nonadiabatic decay routes. Our results indicate that the predominant decay pathway initiated at the Franck-Condon region is toward the S{sub 2}/S{sub 1} conical intersection point and S{sub 2}T{sub 3} intersystem crossing point, but not toward the S{sub 2}T{sub 2} intersystem crossing point.« less

Development of a framework for evaluating yellow timing at signalized intersections.

DOT National Transportation Integrated Search

2011-02-01

Studies show that the proper design of clearance intervals has significant implications for intersection safety. For : example, in 2001, approximately 218,000 red-light-running crashes occurred at signalized intersections in the United States. : Thes...

Optimization of confocal laser induced fluorescence for long focal length applications

NASA Astrophysics Data System (ADS)

Jemiolo, Andrew J.; Henriquez, Miguel F.; Thompson, Derek S.; Scime, Earl E.

2017-10-01

Laser induced fluorescence (LIF) is a non-perturbative diagnostic for measuring ion and neutral particle velocities and temperatures in a plasma. The conventional method for single-photon LIF requires intersecting optical paths for light injection and collection. The multiple vacuum windows needed for such measurements are unavailable in many plasma experiments. Confocal LIF eliminates the need for perpendicular intersecting optical paths by using concentric injection and collection paths through a single window. One of the main challenges with using confocal LIF is achieving high resolution measurements at the longer focal lengths needed for many plasma experiments. We present confocal LIF measurements in HELIX, a helicon plasma experiment at West Virginia University, demonstrating spatial resolution dependence on focal length and spatial filtering. By combining aberration mitigating optics with spatial filtering, our results show high resolution measurements at focal lengths of 0.5 m, long enough to access the interiors of many laboratory plasma experiments. This work was supported by U.S. National Science Foundation Grant No. PHY-1360278.

Induced gravity on intersecting brane worlds. II. Cosmology

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

Corradini, Olindo; Koyama, Kazuya; Tasinato, Gianmassimo

2008-12-15

We explore cosmology of intersecting brane worlds with induced gravity on the branes. We find the cosmological equations that control the evolution of a moving codimension-one brane and a codimension-two brane that sits at the intersection. We study the Friedmann equation at the intersection, finding new contributions from the six-dimensional bulk. These higher dimensional contributions allow us to find new examples of self-accelerating configurations for the codimension-two brane at the intersection and we discuss their features.

New analysis strategies for micro aspheric lens metrology

NASA Astrophysics Data System (ADS)

Gugsa, Solomon Abebe

Effective characterization of an aspheric micro lens is critical for understanding and improving processing in micro-optic manufacturing. Since most microlenses are plano-convex, where the convex geometry is a conic surface, current practice is often limited to obtaining an estimate of the lens conic constant, which average out the surface geometry that departs from an exact conic surface and any addition surface irregularities. We have developed a comprehensive approach of estimating the best fit conic and its uncertainty, and in addition propose an alternative analysis that focuses on surface errors rather than best-fit conic constant. We describe our new analysis strategy based on the two most dominant micro lens metrology methods in use today, namely, scanning white light interferometry (SWLI) and phase shifting interferometry (PSI). We estimate several parameters from the measurement. The major uncertainty contributors for SWLI are the estimates of base radius of curvature, the aperture of the lens, the sag of the lens, noise in the measurement, and the center of the lens. In the case of PSI the dominant uncertainty contributors are noise in the measurement, the radius of curvature, and the aperture. Our best-fit conic procedure uses least squares minimization to extract a best-fit conic value, which is then subjected to a Monte Carlo analysis to capture combined uncertainty. In our surface errors analysis procedure, we consider the surface errors as the difference between the measured geometry and the best-fit conic surface or as the difference between the measured geometry and the design specification for the lens. We focus on a Zernike polynomial description of the surface error, and again a Monte Carlo analysis is used to estimate a combined uncertainty, which in this case is an uncertainty for each Zernike coefficient. Our approach also allows us to investigate the effect of individual uncertainty parameters and measurement noise on both the best-fit conic constant analysis and the surface errors analysis, and compare the individual contributions to the overall uncertainty.

Study on Effects of The Shape of Cavitator on Supercavitation Flow Field Characteristics

NASA Astrophysics Data System (ADS)

Wang, Rui; Dang, Jianjun; Yao, Zhong

2018-03-01

The cavitator is the key part of the nose of the vehicle to induce the formation of supercavity, which has an important influence in the cavity formation rate, cavity shape and cavity stability. To study the influence of the shape on the supercavitation flew field characteristics, the cavity characteristics and the resistance characteristics of different shapes of cavitator under different working conditions are obtained by combining technical methods of numerical simulation and experimental research in water tunnel. The simulation results are contrast and analyzed with the test results. The analysis results show that : in terms of the cavity size, the inverted-conic cavitator can form the biggest cavity size, followed by the disk cavitator, and the truncated-conic cavitator is the least; in terms of the cavity formation speed, the inverted-conic cavitator has the fastest cavity formation speed, then is the truncated-conic cavitator, and the disk cavitator is the least; in terms of the drag characteristic, the truncated-conic cavitator has the maximum coefficient, disk cavitator is the next, the inverted-conic cavitator is the minimal. The research conclusion can provide reference and basis for the head shape design of supercavitating underwater ordnance and the design of hydrodynamic layout.

Yellow lights : small changes in the timing of signal lights could reduce crashes at urban intersections

DOT National Transportation Integrated Search

2001-04-28

An Institute of Transportation Engineers (ITE) test at 122 standard four-leg intersections in Long Island, NY, shows that retiming the length of the yellow/red phases of traffic signals can reduce serious and reportable accidents ($1,000-plus damage ...

A Geometric Model for Specularity Prediction on Planar Surfaces with Multiple Light Sources.

PubMed

Morgand, Alexandre; Tamaazousti, Mohamed; Bartoli, Adrien

2018-05-01

Specularities are often problematic in computer vision since they impact the dynamic range of the image intensity. A natural approach would be to predict and discard them using computer graphics models. However, these models depend on parameters which are difficult to estimate (light sources, objects' material properties and camera). We present a geometric model called JOLIMAS: JOint LIght-MAterial Specularity, which predicts the shape of specularities. JOLIMAS is reconstructed from images of specularities observed on a planar surface. It implicitly includes light and material properties, which are intrinsic to specularities. This model was motivated by the observation that specularities have a conic shape on planar surfaces. The conic shape is obtained by projecting a fixed quadric on the planar surface. JOLIMAS thus predicts the specularity using a simple geometric approach with static parameters (object material and light source shape). It is adapted to indoor light sources such as light bulbs and fluorescent lamps. The prediction has been tested on synthetic and real sequences. It works in a multi-light context by reconstructing a quadric for each light source with special cases such as lights being switched on or off. We also used specularity prediction for dynamic retexturing and obtained convincing rendering results. Further results are presented as supplementary video material, which can be found on the Computer Society Digital Library at http://doi.ieeecomputersociety.org/10.1109/TVCG.2017.2677445.

Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces

NASA Astrophysics Data System (ADS)

Xie, Changjian; Guo, Hua

2017-09-01

The nonadiabatic tunneling-facilitated photodissociation of phenol is investigated using a reduced-dimensional quantum model on two ab initio-based coupled potential energy surfaces (PESs). Although dynamics occurs largely on the lower adiabat, the proximity to a conical intersection between the S1 and S2 states requires the inclusion of both the geometric phase (GP) and diagonal Born-Oppenheimer correction (DBOC). The lifetime of the lowest-lying vibronic state is computed using the diabatic and various adiabatic models. The GP and DBOC terms are found to be essential on one set of PESs, but have a small impact on the other.

Electronic quenching of OH A 2Σ + radicals in collisions with molecular hydrogen

NASA Astrophysics Data System (ADS)

Pollack, Ilana B.; Lei, Yuxiu; Stephenson, Thomas A.; Lester, Marsha I.

2006-04-01

Collisional quenching of electronically excited OH A 2Σ + radicals by molecular hydrogen introduces nonradiative pathways that rapidly remove OH population from the excited state, and result in a significantly decreased fluorescence lifetime. One of these pathways is shown to lead to ground state OH X 2Π products with ˜1 eV of internal excitation in both highly excited rotational levels of v = 1 and the lowest rotational levels of v = 2. This highly nonstatistical OH X 2Π product distribution reflects the passage of the HO-H 2 system through the conical intersection regions that couple the ground and excited state surfaces.

Emergency vehicle traffic signal preemption system

NASA Technical Reports Server (NTRS)

Foster, Conrad F. (Inventor); Bachelder, Aaron D. (Inventor)

2005-01-01

An emergency vehicle traffic light preemption system for preemption of traffic lights at an intersection to allow safe passage of emergency vehicles. The system includes a real-time status monitor of an intersection which is relayed to a communications controller for transmission to emergency vehicles as well as to a central dispatch office. The system also provides for audio warnings at an intersection to protect pedestrians who may not be in a position to see visual warnings or for various reasons cannot hear the approach of emergency vehicles. A transponder mounted on an emergency vehicle provides autonomous control so the vehicle operator can attend to getting to an emergency and not be concerned with the operation of the system. Activation of a Code 3 situation provides communications with each intersection being approached by an emergency vehicle and indicates whether the intersection is preempted or if there is any conflict with other approaching emergency vehicles. On-board diagnostics handle various information including heading, speed, and acceleration sent to a communications controller which is transmitted to an intersection and which also simultaneously receives information regarding the status of an intersection.

Decoding structural complexity in conical carbon nanofibers.

PubMed

Zhu, Yi-An; Wang, Zi-Jun; Cheng, Hong-Ye; Yang, Qin-Min; Sui, Zhi-Jun; Zhou, Xing-Gui; Chen, De

2017-06-07

Conical carbon nanofibers (CNFs) exist primarily as graphitic ribbons that fold into a cylindrical structure with the formation of a hollow core. Structural analysis aided by molecular modeling proves useful for obtaining a full picture of how the size of the central channel varies from fiber to fiber. From a geometrical perspective, conical CNFs possibly have cone tips that are nearly closed. On the other hand, their fiber wall thickness can be reduced to a minimum possible value that is determined solely by the apex angle, regardless of the outer diameter. A formula has been developed to express the number of carbon atoms present in conical CNFs in terms of measurable structural parameters. It appears that the energetically preferred fiber wall thickness increases not only with the apex angle, but also with the number of atoms in the constituent graphitic cones. The origin of the empirical observation that conical CNFs with small apex angles tend to have a large hollow core lies in the fact that in graphene sheets that are more highly curved the curvature-induced strain energy rises more rapidly as the fiber wall thickens.

Reshaping Light-Emitting Diodes To Increase External Efficiency

NASA Technical Reports Server (NTRS)

Rogowski, Robert; Egalon, Claudio

1995-01-01

Light-emitting diodes (LEDs) reshaped, according to proposal, increasing amount of light emitted by decreasing fraction of light trapped via total internal reflection. Results in greater luminous output power for same electrical input power; greater external efficiency. Furthermore, light emitted by reshaped LEDs more nearly collimated (less diffuse). Concept potentially advantageous for conventional red-emitting LEDs. More advantageous for new "blue" LEDs, because luminous outputs and efficiencies of these devices very low. Another advantage, proposed conical shapes achieved relatively easily by chemical etching of semiconductor surfaces.

Self-Propulsion Of Catalytic Conical Micro-Swimmer

NASA Astrophysics Data System (ADS)

Gallino, Giacomo; Gallaire, Francois; Lauga, Eric; Michelin, Sebastien

2017-11-01

Self-propelled artificial micro-motors have attracted much attention both as fundamental examples of active matter and for their potential biomedical applications (e.g. drug delivery, cell sorting). A popular design exploits the catalytic decomposition of a fuel (e.g. hydrogen peroxide) on the active surface of the motor to produce oxygen bubbles that propel the swimmer, effectively converting chemical energy into swimming motion. We focus here on a conical shape swimmer with chemically-active inner surfaces. Using numerical simulations of the chemical problem and viscous hydrodynamics, we analyze the formation, growth and motion of the bubbles inside the micro-motor and the resulting swimming motion. Our results shed light on the fundamental hydrodynamics of the propulsion of conical swimmers and may help to improve the efficiency of these machines. G.G. aknowledges support from the Swiss National Science Fundation.

Optical trapping using cascade conical refraction of light.

PubMed

O'Dwyer, D P; Ballantine, K E; Phelan, C F; Lunney, J G; Donegan, J F

2012-09-10

Cascade conical refraction occurs when a beam of light travels through two or more biaxial crystals arranged in series. The output beam can be altered by varying the relative azimuthal orientation of the two biaxial crystals. For two identical crystals, in general the output beam comprises a ring beam with a spot at its centre. The relative intensities of the spot and ring can be controlled by varying the azimuthal angle between the refracted cones formed in each crystal. We have used this beam arrangement to trap one microsphere within the central spot and a second microsphere on the ring. Using linearly polarized light, we can rotate the microsphere on the ring with respect to the central sphere. Finally, using a half wave-plate between the two crystals, we can create a unique beam profile that has two intensity peaks on the ring, and thereby trap two microspheres on diametrically opposite points on the ring and rotate them around the central sphere. Such a versatile optical trap should find application in optical trapping setups.

The special theory of relativity as applied to the Born-Oppenheimer-Huang approach

NASA Astrophysics Data System (ADS)

Baer, Michael

2017-07-01

In two recent publications (Int. J. Quant. Chem. 114, 1645 (2014) and Mole. Phys. 114, 227 (2016)) it was shown that the Born-Hwang (BH) treatment of a molecular system perturbed by an external field yields a set of decoupled vectorial wave equations, just like in electro-magnetism. This finding led us to declare on the existence of a new type of Fields, which were termed Molecular Fields. The fact that such fields exist implies that at the vicinity of conical intersections exist a mechanism that transforms a passing-by electric beam into a field which differs from the original electric field. This situation is reminiscent of what is encountered in astronomy where Black Holes formed by massive stars may affect the nature of a near-by beam of light. Thus, if the non-adiabatic-coupling-terms (NACT) with their singular points may affect the nature of such a beam (see the above two publications), then it would be interesting to know to what extend NACTs (and consequently also the BH equation) will be affected by the special theory of relativity as introduced by Dirac. Indeed, while applying the Dirac approach we derived the relativistic affected NACTs as well as the corresponding BH equation.

Ultrafast dynamics and Raman imaging of metal complexes of tetrasulphonated phthalocyanines in human cancerous and noncancerous breast tissues

NASA Astrophysics Data System (ADS)

Abramczyk, H.; Jarota, A.; Brozek-Pluska, B.; Tondusson, M.; Freysz, E.; Musial, J.; Kordek, R.

2013-03-01

A promising material in medicine, electronics, optoelectronics, electrochemistry, catalysis and photophysics, Al(III) phthalocyanine chloride tetrasulfonic acid (AlPcS4) is investigated at biological interfaces of human breast tissue by means of time-resolved spectroscopy. The nature of fast processes and pathways of the competing relaxation mechanisms from the initially excited electronic states of a photosensitizer at biological interfaces have been studied. Comparison between the results in the biological environment of the breast tissues and in aqueous solutions demonstrates that the photochemical mechanisms become dramatically different. The presented results provide a basis for a substantial revision of the commonly accepted assumption that photochemistry of the bulk properties of photosensitizers in solutions can be translated to the interfacial region. First, in solution the dynamics of the photosensitizer is much slower than that at the biological interface. Second, the dynamics of the photosensitizer in the cancerous tissue is dramatically slower than that in noncancerous tissue. Our results provide evidence that molecular structures responsible for harvesting of the light energy in biological tissue find their ways for a recovery through some special features of the potential energy surfaces such as conical intersections, which facilitate the rate of radiationless transitions and maintain the photostability in the biological systems.

14 CFR 25.1387 - Position light system dihedral angles.

Code of Federal Regulations, 2010 CFR

2010-01-01

... this section. (b) Dihedral angle L (left) is formed by two intersecting vertical planes, the first... two intersecting vertical planes, the first parallel to the longitudinal axis of the airplane, and the... axis. (d) Dihedral angle A (aft) is formed by two intersecting vertical planes making angles of 70...

14 CFR 27.1387 - Position light system dihedral angles.

Code of Federal Regulations, 2010 CFR

2010-01-01

... this section. (b) Dihedral angle L (left) is formed by two intersecting vertical planes, the first... two intersecting vertical planes, the first parallel to the longitudinal axis of the rotorcraft, and... longitudinal axis. (d) Dihedral angle A (aft) is formed by two intersecting vertical planes making angles of 70...

High-Efficiency Fog Collector: Water Unidirectional Transport on Heterogeneous Rough Conical Wires.

PubMed

Xu, Ting; Lin, Yucai; Zhang, Miaoxin; Shi, Weiwei; Zheng, Yongmei

2016-12-27

An artificial periodic roughness-gradient conical copper wire (PCCW) can be fabricated by inspiration from cactus spines and wet spider silks. PCCW can harvest fog on periodic points of the conical surface from air and transports the drops for a long distance without external force, which is attributed to dynamic as-released energy generated from drop deformation in drop coalescence, in addition to both gradients of geometric curve (inducing Laplace pressure) and periodic roughness (inducing surface energy difference). It is found that the ability of fog collection can be related to various tilt-angle wires, thus a fog collector with an array system of PCCWs is further designed to achieve a continuous process of efficient water collection. As a result, the effect of water collection on PCCWs is better than previous results. These findings are significant to develop and design materials with water collection and water transport for promising application in fogwater systems to ease the water crisis.

Reducing a congestion with introduce the greedy algorithm on traffic light control

NASA Astrophysics Data System (ADS)

Catur Siswipraptini, Puji; Hendro Martono, Wisnu; Hartanti, Dian

2018-03-01

The density of vehicles causes congestion seen at every junction in the city of jakarta due to the static or manual traffic timing lamp system consequently the length of the queue at the junction is uncertain. The research has been aimed at designing a sensor based traffic system based on the queue length detection of the vehicle to optimize the duration of the green light. In detecting the length of the queue of vehicles using infrared sensor assistance placed in each intersection path, then apply Greedy algorithm to help accelerate the movement of green light duration for the path that requires, while to apply the traffic lights regulation program based on greedy algorithm which is then stored on microcontroller with Arduino Mega 2560 type. Where a developed system implements the greedy algorithm with the help of the infrared sensor it will extend the duration of the green light on the long vehicle queue and accelerate the duration of the green light at the intersection that has the queue not too dense. Furthermore, the design is made to form an artificial form of the actual situation of the scale model or simple simulator (next we just called as scale model of simulator) of the intersection then tested. Sensors used are infrared sensors, where the placement of sensors in each intersection on the scale model is placed within 10 cm of each sensor and serves as a queue detector. From the results of the test process on the scale model with a longer queue obtained longer green light time so it will fix the problem of long queue of vehicles. Using greedy algorithms can add long green lights for 2 seconds on tracks that have long queues at least three sensor levels and accelerate time at other intersections that have longer queue sensor levels less than level three.

One Approach to the Synthesis, Design and Manufacture of Hyperboloid Gear Sets With Face Mating Gears. Part 1: Basic Theoretical and Cad Experience

NASA Astrophysics Data System (ADS)

Abadjiev, Valentin; Abadjieva, Emilia

2016-06-01

Hyperboloid gear drives with face mating gears are used to transform rotations between shafts with non-parallel and non-intersecting axes. A special case of these transmissions are Spiroid and Helicon gear drives. The classical gear drives of this type are the Archimedean ones. The objective of this study are hyperboloid gear drives with face meshing, when the pinion possesses threads of conic convolute, Archimedean and involute types, or the pinion has threads of cylindrical convolute, Archimedean and involute types. For simplicity, all three types transmis- sions with face mating gears and a conic pinion are titled Spiroid and all three types transmissions with face mating gears and a cylindrical pinion are titled Helicon. Principles of the mathematical modelling of tooth contact synthesis are discussed in this study. The presented research shows that the synthesis is realized by application of two mathematical models: pitch contact point and mesh region models. Two approaches for synthesis of the gear drives in accordance with Olivier's principles are illustrated. The algorithms and computer programs for optimization synthesis and design of the studied hyperboloid gear drives are presented.

Emergency vehicle traffic signal preemption system

NASA Technical Reports Server (NTRS)

Bachelder, Aaron D. (Inventor); Foster, Conrad F. (Inventor)

2011-01-01

An emergency vehicle traffic light preemption system for preemption of traffic lights at an intersection to allow safe passage of emergency vehicles. The system includes a real-time status monitor of an intersection which is relayed to a control module for transmission to emergency vehicles as well as to a central dispatch office. The system also provides for audio warnings at an intersection to protect pedestrians who may not be in a position to see visual warnings or for various reasons cannot hear the approach of emergency vehicles. A transponder mounted on an emergency vehicle provides autonomous control so the vehicle operator can attend to getting to an emergency and not be concerned with the operation of the system. Activation of a priority-code (i.e. Code-3) situation provides communications with each intersection being approached by an emergency vehicle and indicates whether the intersection is preempted or if there is any conflict with other approaching emergency vehicles. On-board diagnostics handle various information including heading, speed, and acceleration sent to a control module which is transmitted to an intersection and which also simultaneously receives information regarding the status of an intersection. Real-time communications and operations software allow central and remote monitoring, logging, and command of intersections and vehicles.

Thumb-actuated two-axis controller

NASA Technical Reports Server (NTRS)

Hollow, R. H. (Inventor)

1986-01-01

A two axis joystick controller is described. It produces at least one output signal in relation to pivotal displacement of a member with respect to an intersection of the two axes. The member is pivotally movable on a support with respect to the two axes. The support has a centrally disposed aperture. A light source is mounted on the pivotally movable member above the aperture to direct light through the aperture. A light sensor is mounted below the aperture in the support at the intersection of the two axes to receive the light from the light source directed through the aperture. The light sensor produces at least one output signal related to a location on the sensor at which the light from the light source strikes the sensor.

Complete elliptical ring geometry provides energy and instrument calibration for synchrotron-based two-dimensional X-ray diffraction

PubMed Central

Hart, Michael L.; Drakopoulos, Michael; Reinhard, Christina; Connolley, Thomas

2013-01-01

A complete calibration method to characterize a static planar two-dimensional detector for use in X-ray diffraction at an arbitrary wavelength is described. This method is based upon geometry describing the point of intersection between a cone’s axis and its elliptical conic section. This point of intersection is neither the ellipse centre nor one of the ellipse focal points, but some other point which lies in between. The presented solution is closed form, algebraic and non-iterative in its application, and gives values for the X-ray beam energy, the sample-to-detector distance, the location of the beam centre on the detector surface and the detector tilt relative to the incident beam. Previous techniques have tended to require prior knowledge of either the X-ray beam energy or the sample-to-detector distance, whilst other techniques have been iterative. The new calibration procedure is performed by collecting diffraction data, in the form of diffraction rings from a powder standard, at known displacements of the detector along the beam path. PMID:24068840

Photoisomerization of Stilbene: The Detailed XMCQDPT2 Treatment.

PubMed

Ioffe, I N; Granovsky, A A

2013-11-12

We report the detailed XMCQDPT2/cc-pVTZ study of trans-cis photoisomerization in one of the core systems of both experimental and computational photochemistry-the stilbene molecule. For the first time, the potential energy surface (PES) of the S1 state has been directly optimized and scanned using a multistate multiconfiguration second-order perturbation theory. We characterize the trans-stilbene, pyramidalized (phantom), and DHP-cis-stilbene geometric domains of the S1 state and describe their stationary points including the transition states between them, as well as S1/S0 intersections. Also reported are the minima and the activation barriers in the ground state. Our calculations correctly predict the kinetic isotope effect due to H/D exchange at ethylenic hydrogens, the dynamic behavior of excited cis-stilbene, and trans-cis branching ratio after relaxation to S0 through a rather unsymmetric conical intersection. In general, the XMCQDPT2 results confirm the qualitative adequacy of the TDDFT (especially SF-TDDFT) picture of the excited stilbene but also reveal quantitative discrepancies that deserve further exploration.

14 CFR 29.1387 - Position light system dihedral angles.

Code of Federal Regulations, 2010 CFR

2010-01-01

... described in this section. (b) Dihedral angle L (left) is formed by two intersecting vertical planes, the... formed by two intersecting vertical planes, the first parallel to the longitudinal axis of the rotorcraft... longitudinal axis. (d) Dihedral angle A (aft) is formed by two intersecting vertical planes making angles of 70...

14 CFR 23.1387 - Position light system dihedral angles.

Code of Federal Regulations, 2010 CFR

2010-01-01

... described in this section. (b) Dihedral angle L (left) is formed by two intersecting vertical planes, the... formed by two intersecting vertical planes, the first parallel to the longitudinal axis of the airplane... longitudinal axis. (d) Dihedral angle A (aft) is formed by two intersecting vertical planes making angles of 70...

Laser scattering induced holograms in lithium niobate. [observation of diffraction cones

NASA Technical Reports Server (NTRS)

Magnusson, R.; Gaylord, T. K.

1974-01-01

A 3.0-mm thick poled single crystal of lithium niobate doped with 0.1 mole% iron was exposed to a single beam and then to two intersecting beams of an argon ion laser operating at 515-nm wavelength. Laser scattering induced holograms were thus written and analyzed. The presence of diffraction cones was observed and is shown to result from the internally recorded interference pattern resulting from the interference of the original incident laser beam with light scattered from material inhomogeneities. This phenomenon is analyzed using Ewald sphere construction techniques which reveal the geometrical relationships existing for the diffraction cones.

Modeling Quantum Dynamics in Multidimensional Systems

NASA Astrophysics Data System (ADS)

Liss, Kyle; Weinacht, Thomas; Pearson, Brett

2017-04-01

Coupling between different degrees-of-freedom is an inherent aspect of dynamics in multidimensional quantum systems. As experiments and theory begin to tackle larger molecular structures and environments, models that account for vibrational and/or electronic couplings are essential for interpretation. Relevant processes include intramolecular vibrational relaxation, conical intersections, and system-bath coupling. We describe a set of simulations designed to model coupling processes in multidimensional molecular systems, focusing on models that provide insight and allow visualization of the dynamics. Undergraduates carried out much of the work as part of a senior research project. In addition to the pedagogical value, the simulations allow for comparison between both explicit and implicit treatments of a system's many degrees-of-freedom.

Apparatus for adapting an end effector device remotely controlled manipulator arm

NASA Technical Reports Server (NTRS)

Clark, K. H. (Inventor)

1985-01-01

Apparatus for adapting a general purpose and effector device to a special purpose and effector is disclosed which includes an adapter bracket assembly which provides a mechanical and electrical interface between the end effector devices. The adapter bracket assembly includes an adapter connector post which interlocks with a diamond shaped gripping channel formed in closed jaws of the general purpose end effector. The angularly intersecting surfaces of the connector post and gripping channel prevent any relative movement there between. Containment webs constrain the outer finger plates of the general purpose jaws to prevent pitch motion. Electrical interface is provided by conical, self aligning electrical connector components carried by respective ones of said end effectors.

Modeling the Footprint and Equivalent Radiance Transfer Path Length for Tower-Based Hemispherical Observations of Chlorophyll Fluorescence

PubMed Central

Liu, Xinjie; Liu, Liangyun; Hu, Jiaochan; Du, Shanshan

2017-01-01

The measurement of solar-induced chlorophyll fluorescence (SIF) is a new tool for estimating gross primary production (GPP). Continuous tower-based spectral observations together with flux measurements are an efficient way of linking the SIF to the GPP. Compared to conical observations, hemispherical observations made with cosine-corrected foreoptic have a much larger field of view and can better match the footprint of the tower-based flux measurements. However, estimating the equivalent radiation transfer path length (ERTPL) for hemispherical observations is more complex than for conical observations and this is a key problem that needs to be addressed before accurate retrieval of SIF can be made. In this paper, we first modeled the footprint of hemispherical spectral measurements and found that, under convective conditions with light winds, 90% of the total radiation came from an FOV of width 72°, which in turn covered 75.68% of the source area of the flux measurements. In contrast, conical spectral observations covered only 1.93% of the flux footprint. Secondly, using theoretical considerations, we modeled the ERTPL of the hemispherical spectral observations made with cosine-corrected foreoptic and found that the ERTPL was approximately equal to twice the sensor height above the canopy. Finally, the modeled ERTPL was evaluated using a simulated dataset. The ERTPL calculated using the simulated data was about 1.89 times the sensor’s height above the target surface, which was quite close to the results for the modeled ERTPL. Furthermore, the SIF retrieved from atmospherically corrected spectra using the modeled ERTPL fitted well with the reference values, giving a relative root mean square error of 18.22%. These results show that the modeled ERTPL was reasonable and that this method is applicable to tower-based hemispherical observations of SIF. PMID:28509843

Vehicle Transponder for Preemption of Traffic Lights

NASA Technical Reports Server (NTRS)

Foster, Conrad; Bachelder, Aaron

2006-01-01

The purpose of this article is to describe, in more detail, the transponder installed in each vehicle that participates in the emergency traffic-light-preemption system described in the immediately preceding article. The transponder (see figure) is a fully autonomous data--collection, data-processing, information-display, and communication subsystem that performs robustly in preemption of traffic lights and monitoring of the statuses of street intersections. This transponder monitors the condition of the emergency vehicle in which it is installed and determines when the vehicle has been placed in an emergency-response condition with its siren and/or warning lights activated. Upon detection of such a condition, the transponder collects real-time velocity and acceleration data from the onboard diagnostic (OBD) computer of the vehicle. For this purpose, the transponder contains an OBD interface circuit, including a microprocessor that determines the manufacturer and model of the vehicle and then sends the appropriate commands to the OBD computer requesting the speed and acceleration data. At the same time, data from an onboard navigation system are collected to determine the location and the heading of the vehicle. Then acceleration, speed, position, and heading data are processed and combined with a vehicle-identification number and the resulting set of data is transmitted to monitoring and control units located at all intersections within communication range. When the unit at an intersection determines that this vehicle is approaching and has priority to preempt the intersection, it transmits a signal declaring the priority and the preemption to all participating vehicles (including this one) in the vicinity. If the unit at the intersection has determined that other participating vehicles are also approaching the intersection, then this unit also transmits, to the vehicle that has priority, a message that the other vehicles are approaching the same intersection. The texts of these messages, plus graphical symbols that show the directions and numbers of the approaching vehicles, are presented on the display panel of a computer that is part of the transponder.

Circular-Polarization-Selective Transmission Induced by Spin-Orbit Coupling in a Helical Tape Waveguide

NASA Astrophysics Data System (ADS)

Liu, Yahong; Guo, Qinghua; Liu, Hongchao; Liu, Congcong; Song, Kun; Yang, Biao; Hou, Quanwen; Zhao, Xiaopeng; Zhang, Shuang; Navarro-Cía, Miguel

2018-05-01

Spin-orbit coupling of light, describing the interaction between the polarization (spin) and spatial degrees of freedom (orbit) of light, plays an important role in subwavelength scale systems and leads to many interesting phenomena, such as the spin Hall effect of light. Here, based on the spin-orbit coupling, we design and fabricate a helical tape waveguide (HTW), which can realize a circular-polarization-selective process. When the incident circularly polarized wave is of the same handedness as the helix of the HTW, a nearly complete transmission is observed; in contrast, a counterrotating circular polarization of incident wave results in a much lower transmission or is even totally blocked by the HTW. Indeed, both simulations and experiments reveal that the blocked component of power leaks through the helical aperture of the HTW and forms a conical beam analogous to helical Cherenkov radiation due to the conversion from the spin angular momentum to the orbital angular momentum. Our HTW structure demonstrates its potential as a polarization selector in a broadband frequency range.

Multipolar response of nonspherical silicon nanoparticles in the visible and near-infrared spectral ranges

NASA Astrophysics Data System (ADS)

Terekhov, Pavel D.; Baryshnikova, Kseniia V.; Artemyev, Yuriy A.; Karabchevsky, Alina; Shalin, Alexander S.; Evlyukhin, Andrey B.

2017-07-01

Spectral multipole resonances of parallelepiped-, pyramid-, and cone-like shaped silicon nanoparticles excited by linearly polarized light waves are theoretically investigated. The numerical finite element method is applied for the calculations of the scattering cross sections as a function of the nanoparticles geometrical parameters. The roles of multipole moments (up to the third order) in the scattering process are analyzed using the semianalytical multipole decomposition approach. The possibility of scattering pattern configuration due to the tuning of the multipole contributions to the total scattered waves is discussed and demonstrated. It is shown that cubic nanoparticles can provide a strong isotropic side scattering with minimization of the scattering in forward and backward directions. In the case of the pyramidal and conical nanoparticles the total suppression of the side scattering can be obtained. It was found that due to the shape factor of the pyramidal and conical nanoparticles their electric toroidal dipole resonance can be excited in the spectral region of the first electric and magnetic dipole resonances. The influence of the incident light directions on the optical response of the pyramidal and conical nanoparticles is discussed. The obtained results provide important information that can be used for the development of nanoantennas with improved functionality due to the directional scattering effects.

An Alternative for Emergency Preemption of Traffic Lights

NASA Technical Reports Server (NTRS)

Foster, Conrad; Bachelder, Aaron

2006-01-01

An electronic communication-and-control system has been developed as a prototype of advanced means of automatically modifying the switching of traffic lights to give priority to emergency vehicles. This system could be used alternatively or in addition to other emergency traffic-light-preemption systems, including a variety of systems now in use as well as two proposed systems described in "Systems Would Preempt Traffic Lights for Emergency Vehicles" (NPO-30573), NASA Tech Briefs, Vol. 28, No. 10 (October 2004), page 36. Unlike those prior systems that depend on detection of sounds and/or lights emitted by emergency vehicles, this system is not subject to severe range limitations. This system can be retrofitted into any pre-existing traffic-light-control system, without need to modify that system other than to make a minimal number of wire connections between the two systems. This system comprises several subsystems, including a transponder and interface circuitry on each emergency vehicle, a monitoring and control unit at each intersection equipped with traffic lights, and a wide-area two-way radio communication network that connects the emergency vehicles and intersection units. Computers in the various intersections and vehicle units run special-purpose software that implements the traffic- light-preemption scheme. The operations of the intersection and vehicle units are synchronized by use of Global Positioning System (GPS) timing signals. The transponder in each vehicle estimates its own position and velocity by use of GPS signals, deductive ("dead") reckoning, data from the onboard diagnostic (OBD) computer of the vehicle, and/or triangulation of beacon signals. When the operator of an emergency vehicle turns on its flashing lights and sirens in response to a request for an emergency response, the transponder unit goes into action, reading the OBD data to determine speed and acceleration, and reading and gathering further navigational data as described above. The position, velocity, and acceleration data are combined with vehicle-identification data in a prescribed format, and the resulting set of data is transmitted to the intersections within communication range of the transponder.

Modeling texture transitions in cholesteric liquid crystal droplets

NASA Astrophysics Data System (ADS)

Selinger, Robin; Gimenez-Pinto, Vianney; Lu, Shin-Ying; Selinger, Jonathan; Konya, Andrew

2012-02-01

Cholesteric liquid crystals can be switched reversibly between planar and focal-conic textures, a property enabling their application in bistable displays, liquid crystal writing tablets, e-books, and color switching ``e-skins.'' To explore voltage-pulse induced switching in cholesteric droplets, we perform simulation studies of director dynamics in three dimensions. Electrostatics calculations are solved at each time step using an iterative relaxation method. We demonstrate that as expected, a low amplitude pulse drives the transition from planar to focal conic, while a high amplitude pulse drives the transition from focal conic back to the planar state. We use the model to explore the effects of droplet shape, aspect ratio, and anchoring conditions, with the goal of minimizing both response time and energy consumption.

Multiple-Cone Sunshade for a Spaceborne Telescope

NASA Technical Reports Server (NTRS)

Cafferty, Terry; Ford, Virginia

2008-01-01

A document describes a sunshade assembly for the spaceborne telescope of the Terrestrial Planet Finder Coronagraph mission. During operation, the telescope is aimed at target stars in the semihemisphere away from the Earth's Sun. The observatory rotates about its pointing axis during a single star observation, resulting in relative movement of the Sun. The sunshade assembly protects the telescope against excessive solar-induced thermal distortions for times long enough to complete observations. The assembly includes a cylindrical baffle immediately surrounding the telescope, and a series of coaxial conical shields at half-cone angle increments of between 3 and 6. The black inner surface of the cylindrical baffle suppresses stray light. The outer surface of the cylindrical baffle and all the surfaces of the conical shields except the outermost one are specular and highly reflective in the infrared. The outer surface of the outer shield is a material with low solar absorptance and high infrared emittance, such as silverized Teflon or white paint. This arrangement strongly radiatively couples each shield layer more effectively to cold space than to adjacent shield layers. The result is that the solar-driven temperature gradients in the cylindrical baffle are nearly negated, and only weakly communicated to the highly-infrared-reflective face of the primary telescope mirror.

Traffic-Light-Preemption Vehicle-Transponder Software Module

NASA Technical Reports Server (NTRS)

Bachelder, Aaron; Foster, Conrad

2005-01-01

A prototype wireless data-communication and control system automatically modifies the switching of traffic lights to give priority to emergency vehicles. The system, which was reported in several NASA Tech Briefs articles at earlier stages of development, includes a transponder on each emergency vehicle, a monitoring and control unit (an intersection controller) at each intersection equipped with traffic lights, and a central monitoring subsystem. An essential component of the system is a software module executed by a microcontroller in each transponder. This module integrates and broadcasts data on the position, velocity, acceleration, and emergency status of the vehicle. The position, velocity, and acceleration data are derived partly from the Global Positioning System, partly from deductive reckoning, and partly from a diagnostic computer aboard the vehicle. The software module also monitors similar broadcasts from other vehicles and from intersection controllers, informs the driver of which intersections it controls, and generates visible and audible alerts to inform the driver of any other emergency vehicles that are close enough to create a potential hazard. The execution of the software module can be monitored remotely and the module can be upgraded remotely and, hence, automatically

Reflector system for a lighting fixture

DOEpatents

Siminovitch, Michael J.; Page, Erik; Gould, Carl T.

1998-01-01

Disclosed herein is a reflector system for a lighting fixture having a illumination source surrounded by an envelope. The reflector system includes a first reflector surrounding the illumination source. The reflector system also includes a second reflector which is non-contiguous with the first reflector and which surrounds the illumination source. The illumination source creates light rays which are reflected by the first and second reflectors. The first reflector directs light rays toward the center line of the fixture. However, the reflected rays despite being so reflected do not substantially intersect the envelope. The reflected light rays from the second reflector being directed so that they diverge from the center line of the fixture avoiding intersection with the semi-transparent envelope.

Reflector system for a lighting fixture

DOEpatents

Siminovitch, Michael J.; Page, Erik; Gould, Carl T.

2001-01-01

Disclosed herein is a reflector system for a lighting fixture having a illumination source surrounded by an envelope. The reflector system includes a first reflector surrounding the illumination source. The reflector system also includes a second reflector which is non-contiguous with the first reflector and which surrounds the illumination source. The illumination source creates light rays which are reflected by the first and second reflectors. The first reflector directs light rays toward the center line of the fixture. However, the reflected rays despite being so reflected do not substantially intersect the envelope. The reflected light rays from the second reflector being directed so that they diverge from the center line of the fixture avoiding intersection with the semi-transparent envelope.

Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations

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

Li, Chun-Xiang; Guo, Wei-Wei; Xie, Bin-Bin

Herein we have used combined static electronic structure calculations and “on-the-fly” global-switching trajectory surface-hopping dynamics simulations to explore the photochemical mechanism of oxybenzone sunscreen. We have first employed the multi-configurational CASSCF method to optimize minima, conical intersections, and minimum-energy reaction paths related to excited-state intramolecular proton transfer (ESIPT) and excited-state decays in the {sup 1}ππ{sup ∗}, {sup 1}nπ{sup ∗}, and S{sub 0} states (energies are refined at the higher MS-CASPT2 level). According to the mapped potential energy profiles, we have identified two ultrafast excited-state deactivation pathways for the initially populated {sup 1}ππ{sup ∗} system. The first is the diabatic ESIPTmore » process along the {sup 1}ππ{sup ∗} potential energy profile. The generated {sup 1}ππ{sup ∗} keto species then decays to the S{sub 0} state via the keto {sup 1}ππ{sup ∗}/gs conical intersection. The second is internal conversion to the dark {sup 1}nπ{sup ∗} state near the {sup 1}ππ{sup ∗} /{sup 1}nπ{sup ∗} crossing point in the course of the diabatic {sup 1}ππ{sup ∗} ESIPT process. Our following dynamics simulations have shown that the ESIPT and {sup 1}ππ{sup ∗} → S{sub 0} internal conversion times are 104 and 286 fs, respectively. Finally, our present work demonstrates that in addition to the ESIPT process and the {sup 1}ππ{sup ∗} → S{sub 0} internal conversion in the keto region, the {sup 1}ππ{sup ∗} → {sup 1}nπ{sup ∗} internal conversion in the enol region plays as well an important role for the excited-state relaxation dynamics of oxybenzone.« less

The best of both Reps—Diabatized Gaussians on adiabatic surfaces

NASA Astrophysics Data System (ADS)

Meek, Garrett A.; Levine, Benjamin G.

2016-11-01

When simulating nonadiabatic molecular dynamics, choosing an electronic representation requires consideration of well-known trade-offs. The uniqueness and spatially local couplings of the adiabatic representation come at the expense of an electronic wave function that changes discontinuously with nuclear motion and associated singularities in the nonadiabatic coupling matrix elements. The quasi-diabatic representation offers a smoothly varying wave function and finite couplings, but identification of a globally well-behaved quasi-diabatic representation is a system-specific challenge. In this work, we introduce the diabatized Gaussians on adiabatic surfaces (DGAS) approximation, a variant of the ab initio multiple spawning (AIMS) method that preserves the advantages of both electronic representations while avoiding their respective pitfalls. The DGAS wave function is expanded in a basis of vibronic functions that are continuous in both electronic and nuclear coordinates, but potentially discontinuous in time. Because the time-dependent Schrödinger equation contains only first-order derivatives with respect to time, singularities in the second-derivative nonadiabatic coupling terms (i.e., diagonal Born-Oppenheimer correction; DBOC) at conical intersections are rigorously absent, though singular time-derivative couplings remain. Interpolation of the electronic wave function allows the accurate prediction of population transfer probabilities even in the presence of the remaining singularities. We compare DGAS calculations of the dynamics of photoexcited ethene to AIMS calculations performed in the adiabatic representation, including the DBOC. The 28 fs excited state lifetime observed in DGAS simulations is considerably shorter than the 50 fs lifetime observed in the adiabatic simulations. The slower decay in the adiabatic representation is attributable to the large, repulsive DBOC in the neighborhood of conical intersections. These repulsive DBOC terms are artifacts of the discontinuities in the individual adiabatic vibronic basis functions and therefore cannot reflect the behavior of the exact molecular wave function, which must be continuous.

Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.

PubMed

Gan, Yanzhen; Yue, Ling; Guo, Xugeng; Zhu, Chaoyuan; Cao, Zexing

2017-05-17

An on-the-fly trajectory surface hopping dynamic simulation has been performed for revealing the multi-state nonadiabatic deactivation mechanism of coumarin. The mechanism involves three adiabatic excited states, S 3 (ππ*L b ), S 2 (nπ*, ππ*L a ) and S 1 (ππ*L a , nπ*), and the ground state S 0 at the four state-averaged complete active space self-consistent field, SA4-CASSCF(12,10)/6-31G* level of theory. Upon photoexcitation to the third excited state S 3 (ππ*L b ) in the Franck-Condon region, 80% sampling trajectories decay to the dark S 2 (nπ*) state within an average of 5 fs via the conical intersection S 3 (ππ*L b )/S 2 (nπ*), while 20% decay to the S 2 (ππ*L a ) state within an average of 11 fs via the conical intersection S 3 (ππ*L b )/S 2 (ππ*L a ). Then, sampling trajectories via S 2 (nπ*)/S 1 (ππ*L a ) continue with ultrafast decay processes to give a final distribution of quantum yields as follows: 42% stay on the dark S 1 (nπ*) state, 43.3% go back to the ground S 0 state, 12% undergo a ring-opening reaction to the Z-form S 0 (Z) state, and 2.7% go to the E-form S 0 (E) state. The lifetimes of the excited states are estimated as follows: the S 3 state is about 12 fs on average, the S 2 state is about 80 fs, and the S 1 state has a fast component of about 160 fs and a slow component of 15 ps. The simulated ultrafast radiationless deactivation pathways of photoexcited coumarin immediately interpret the experimentally observed weak fluorescence emission.

a Zero-Order Picture of the Infrared Spectrum for the Methoxy Radical: Assignment of States

NASA Astrophysics Data System (ADS)

Johnson, Britta; Sibert, Edwin

2016-06-01

The ground tilde{X}^2E vibrations of the methoxy radical have intrigued both experimentalists and theorists alike due to the presence of a conical intersection at the C3v molecular geometry. This conical intersection causes methoxy's vibrational spectrum to be strongly influenced by Jahn-Teller vibronic coupling which leads to large amplitude vibrations and extensive mixing of the two lowest electronic states. This coupling combined with spin-orbit and Fermi couplings greatly complicates the assignments of states. Using the potential force field and calculated spectra of Nagesh and Sibert1,2, we assign quantum numbers to the infrared spectrum. When the zero-order states are the diabatic normal mode states, there is sufficient mode mixing that the normal mode quantum numbers are poor labels for the final states. We define a series of zero-order Hamiltonians which include additional coupling elements beyond the normal mode picture but still allow for the assignment of Jahn-Teller quantum numbers. In methoxy, the two lowest frequency e} modes, the bend (q_5) and the rock (q_6), are the modes with the strongest Jahn-Teller coupling. In general, a zero-order Hamiltonian which includes first-order Jahn-Teller coupling in q_6 is sufficient for most states of interest. Working in a representation which includes first-order Jahn-Teller coupling in q_6, we identify states in which additional coupling elements must be included; these couplings include first-order Jahn-Teller coupling in q_5, higher order Jahn-Teller coupling in q_5 and q_6, and, in the dueterated case, Jahn-Teller coupling which is modulated by the corresponding a modes. [^1] Nagesh, J.; Sibert, E. L. J. Phys. Chem. A 2012, 116, 3846-3855. Lee, Y.F.; Chou, W.T.; Johnson, B.A.; Tabor, D.P. ; Sibert, E.L.; Lee, Y.P. J. Mol. Spectrosc. 2015, 310, 57-67. Barckholtz, T. A.; Miller, T. A. Int. Revs. in Phys. Chem. 1998, 17, 435-524.

Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate

PubMed Central

Altavilla, Salvatore F.; Segarra-Martí, Javier; Nenov, Artur; Conti, Irene; Rivalta, Ivan; Garavelli, Marco

2015-01-01

The photophysics and photochemistry of water-solvated guanine monophosphate (GMP) are here characterized by means of a multireference quantum-chemical/molecular mechanics theoretical approach (CASPT2//CASSCF/AMBER) in order to elucidate the main photo-processes occurring upon UV-light irradiation. The effect of the solvent and of the phosphate group on the energetics and structural features of this system are evaluated for the first time employing high-level ab initio methods and thoroughly compared to those in vacuo previously reported in the literature and to the experimental evidence to assess to which extent they influence the photoinduced mechanisms. Solvated electronic excitation energies of solvated GMP at the Franck-Condon (FC) region show a red shift for the ππ* La and Lb states, whereas the energy of the oxygen lone-pair nπ* state is blue-shifted. The main photoinduced decay route is promoted through a ring-puckering motion along the bright lowest-lying La state toward a conical intersection (CI) with the ground state, involving a very shallow stationary point along the minimum energy pathway in contrast to the barrierless profile found in gas-phase, the point being placed at the end of the minimum energy path (MEP) thus endorsing its ultrafast deactivation in accordance with time-resolved transient and photoelectron spectroscopy experiments. The role of the nπ* state in the solvated system is severely diminished as the crossings with the initially populated La state and also with the Lb state are placed too high energetically to partake prominently in the deactivation photo-process. The proposed mechanism present in solvated and in vacuo DNA/RNA chromophores validates the intrinsic photostability mechanism through CI-mediated non-radiative processes accompanying the bright excited-state population toward the ground state and subsequent relaxation back to the FC region. PMID:25941671

Improving the axial resolution in time-reversed ultrasonically encoded (TRUE) optical focusing with dual ultrasonic waves

NASA Astrophysics Data System (ADS)

Yang, Qiang; Xu, Xiao; Lai, Puxiang; Sang, Xinzhu; Wang, Lihong V.

2014-03-01

Focusing light inside highly scattering media beyond the ballistic regime is a challenging task in biomedical optical imaging, manipulation, and therapy. This challenge can be overcome by time reversing ultrasonically encoded (TRUE) diffuse light to the ultrasonic focus inside a turbid medium. In TRUE optical focusing, a photorefractive crystal or polymer is used as the phase conjugate mirror for optical time reversal. Accordingly, a relatively long ultrasound burst, whose duration matches the response time of the photorefractive material, is used to encode the diffuse light. With this long ultrasound burst, the resolution of the TRUE focus along the acoustic axis is poor. In this work, we used two transducers, emitting two intersecting ultrasound beams at 3.4 MHz and 3.6 MHz respectively, to modulate the diffuse light within their intersection volume at the beat frequency. We show that light encoded at the beat frequency can be time-reversed and converge to the intersection volume. Experimentally, TRUE focusing with an acoustic axial resolution of ~1.1 mm was demonstrated inside turbid media, agreeing with the theoretical estimation.

Super-luminescent jet light generated by femtosecond laser pulses

PubMed Central

Xu, Zhijun; Zhu, Xiaonong; Yu, Yang; Zhang, Nan; Zhao, Jiefeng

2014-01-01

Phenomena of nonlinear light-matter interaction that occur during the propagation of intense ultrashort laser pulses in continuous media have been extensively studied in ultrafast optical science. In this vibrant research field, conversion of the input laser beam into optical filament(s) is commonly encountered. Here, we demonstrate generation of distinctive single or double super-luminescent optical jet beams as a result of strong spatial-temporal nonlinear interaction between focused 50 fs millijoule laser pulses and their induced micro air plasma. Such jet-like optical beams, being slightly divergent and coexisting with severely distorted conical emission of colored speckles, are largely different from optical filaments, and obtainable when the focal lens of proper f-number is slightly tilted or shifted. Once being collimated, the jet beams can propagate over a long distance in air. These beams not only reveal a potentially useful approach to coherent optical wave generation, but also may find applications in remote sensing. PMID:24463611

Electric-field-induced domain intersection in BaTiO3 single crystal

NASA Astrophysics Data System (ADS)

He, Ming; Wang, Mengxia; Zhang, Zhihua

2017-03-01

Large-angle convergent beam electron diffraction was used to determine the directions of polarization vectors in a BaTiO3 single crystal. Domain intersections driven by an electric field were investigated by in situ transmission electron microscopy. The dark triangles observed in the domain intersection region can be accounted for by dislocations and the strain field. Domains nucleate at the domain tip depending on the dislocations and strain field to relieve the accumulated stress. Schematic representations of the intersecting domains and the microscopic structure are given, clarifying the special electric-field-induced domain structure.

Effect of audio in-vehicle red light-running warning message on driving behavior based on a driving simulator experiment.

PubMed

Yan, Xuedong; Liu, Yang; Xu, Yongcun

2015-01-01

Drivers' incorrect decisions of crossing signalized intersections at the onset of the yellow change may lead to red light running (RLR), and RLR crashes result in substantial numbers of severe injuries and property damage. In recent years, some Intelligent Transport System (ITS) concepts have focused on reducing RLR by alerting drivers that they are about to violate the signal. The objective of this study is to conduct an experimental investigation on the effectiveness of the red light violation warning system using a voice message. In this study, the prototype concept of the RLR audio warning system was modeled and tested in a high-fidelity driving simulator. According to the concept, when a vehicle is approaching an intersection at the onset of yellow and the time to the intersection is longer than the yellow interval, the in-vehicle warning system can activate the following audio message "The red light is impending. Please decelerate!" The intent of the warning design is to encourage drivers who cannot clear an intersection during the yellow change interval to stop at the intersection. The experimental results showed that the warning message could decrease red light running violations by 84.3 percent. Based on the logistic regression analyses, drivers without a warning were about 86 times more likely to make go decisions at the onset of yellow and about 15 times more likely to run red lights than those with a warning. Additionally, it was found that the audio warning message could significantly reduce RLR severity because the RLR drivers' red-entry times without a warning were longer than those with a warning. This driving simulator study showed a promising effect of the audio in-vehicle warning message on reducing RLR violations and crashes. It is worthwhile to further develop the proposed technology in field applications.

Soft x-ray resonant diffraction study of magnetic structure in magnetoelectric Y-type hexaferrite

NASA Astrophysics Data System (ADS)

Ueda, H.; Tanaka, Y.; Wakabayashi, Y.; Kimura, T.

2018-05-01

The effect of magnetic field on the magnetic structure associated with magnetoelectric properties in a Y-type hexaferrite, Ba1.3Sr0.7CoZnFe11AlO22, was investigated by utilizing the soft x-ray resonant diffraction technique. In this hexaferrite, the so-called alternating longitudinal conical phase is stabilized at room temperature and zero magnetic field. Below room temperature, however, this phase is transformed into the so-called transverse conical phase by applying an in-plane magnetic field (≈ 0.3 T). The transverse conical phase persists even after removing the magnetic field. The magnetoelectricity, which is magnetically-induced electric polarization, observed in the hexaferrite is discussed in terms of the temperature-dependent magnetic structure at zero field.

Optical Addressing of Multi-Colour Photochromic Material Mixture for Volumetric Display.

PubMed

Hirayama, Ryuji; Shiraki, Atsushi; Naruse, Makoto; Nakamura, Shinichiro; Nakayama, Hirotaka; Kakue, Takashi; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

2016-08-16

This is the first study to demonstrate that colour transformations in the volume of a photochromic material (PM) are induced at the intersections of two control light channels, one controlling PM colouration and the other controlling decolouration. Thus, PM colouration is induced by position selectivity, and therefore, a dynamic volumetric display may be realised using these two control lights. Moreover, a mixture of multiple PM types with different absorption properties exhibits different colours depending on the control light spectrum. Particularly, the spectrum management of the control light allows colour-selective colouration besides position selectivity. Therefore, a PM-based, full-colour volumetric display is realised. We experimentally construct a mixture of two PM types and validate the operating principles of such a volumetric display system. Our system is constructed simply by mixing multiple PM types; therefore, the display hardware structure is extremely simple, and the minimum size of a volume element can be as small as the size of a molecule. Volumetric displays can provide natural three-dimensional (3D) perception; therefore, the potential uses of our system include high-definition 3D visualisation for medical applications, architectural design, human-computer interactions, advertising, and entertainment.

Optical Addressing of Multi-Colour Photochromic Material Mixture for Volumetric Display

NASA Astrophysics Data System (ADS)

Hirayama, Ryuji; Shiraki, Atsushi; Naruse, Makoto; Nakamura, Shinichiro; Nakayama, Hirotaka; Kakue, Takashi; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

2016-08-01

This is the first study to demonstrate that colour transformations in the volume of a photochromic material (PM) are induced at the intersections of two control light channels, one controlling PM colouration and the other controlling decolouration. Thus, PM colouration is induced by position selectivity, and therefore, a dynamic volumetric display may be realised using these two control lights. Moreover, a mixture of multiple PM types with different absorption properties exhibits different colours depending on the control light spectrum. Particularly, the spectrum management of the control light allows colour-selective colouration besides position selectivity. Therefore, a PM-based, full-colour volumetric display is realised. We experimentally construct a mixture of two PM types and validate the operating principles of such a volumetric display system. Our system is constructed simply by mixing multiple PM types; therefore, the display hardware structure is extremely simple, and the minimum size of a volume element can be as small as the size of a molecule. Volumetric displays can provide natural three-dimensional (3D) perception; therefore, the potential uses of our system include high-definition 3D visualisation for medical applications, architectural design, human-computer interactions, advertising, and entertainment.

Apparatus Notes.

ERIC Educational Resources Information Center

Eaton, Bruce G., Ed.

1981-01-01

Describes experiments and apparatus to: (1) allow astronomy students to test resolution limit of their eyes at several wavelengths; (2) analyze laser mode phases by interferometry; (3) demonstrate a Cartesian diver with an overhead projector; and (4) generate conical beams of light for smoke-chamber demonstrations. (JN)

A hazard-based duration model for analyzing crossing behavior of cyclists and electric bike riders at signalized intersections.

PubMed

Yang, Xiaobao; Huan, Mei; Abdel-Aty, Mohamed; Peng, Yichuan; Gao, Ziyou

2015-01-01

This paper presents a hazard-based duration approach to investigate riders' waiting times, violation hazards, associated risk factors, and their differences between cyclists and electric bike riders at signalized intersections. A total of 2322 two-wheeled riders approaching the intersections during red light periods were observed in Beijing, China. The data were classified into censored and uncensored data to distinguish between safe crossing and red-light running behavior. The results indicated that the red-light crossing behavior of most riders was dependent on waiting time. They were inclined to terminate waiting behavior and run against the traffic light with the increase of waiting duration. Over half of the observed riders cannot endure 49s or longer. 25% of the riders can endure 97s or longer. Rider type, gender, waiting position, conformity tendency and crossing traffic volume were identified to have significant effects on riders' waiting times and violation hazards. Electric bike riders were found to be more sensitive to the external risk factors such as other riders' crossing behavior and crossing traffic volume than cyclists. Moreover, unobserved heterogeneity was examined in the proposed models. The finding of this paper can explain when and why cyclists and electric bike riders run against the red light at intersections. The results of this paper are useful for traffic design and management agencies to implement strategies to enhance the safety of riders. Copyright © 2014 Elsevier Ltd. All rights reserved.

High-Speed Unsteady Flows around Concave Axisymmetric Bodies: Flow Instabilities and their Suppression

NASA Astrophysics Data System (ADS)

Panaras, A.; Drikakis, D.

2009-01-01

The axisymmetric concave body, i.e. a body in which the normals to its surface intersect, is a typical configuration about which shock/shock interactions appear. Various shapes of axisymmetric concave bodies are used in a variety of applications in aeronautics. For exampe: axisymmetric jet inlets with conical centerbody, ballistic missiles drag reduction by spike, plasma or hot gas injection, parachutes for pilot-ejection capsules. However, it is well known that two distinct modes of instability appear around a concave body in the high-speed flow regime, for a certain range of geometric parameters. These instabilities can cause undesirable effects such as severe vibration of the structure, heating and pressure loads. According to the experimental evidence, the unsteady flow is characterized by periodic radial inflation and collapse of the conical separation bubble formed around the forebody (pulsation). Various explanations have been given for the driving mechanism of the instabilities. They are based on interpretation of experimental results or on numerical simulation of the related flows. A merging of the leading explanations is done, and basic rules for the passive suppression of the instabilities are applied, in order to enforce the proposed driving mechanism of the instabilities. Most of the analysis is based on numerical simulations.

Reflector system for a lighting fixture

DOEpatents

Siminovitch, M.J.; Page, E.; Gould, C.T.

1998-09-08

Disclosed herein is a reflector system for a lighting fixture having a illumination source surrounded by an envelope. The reflector system includes a first reflector surrounding the illumination source. The reflector system also includes a second reflector which is non-contiguous with the first reflector and which surrounds the illumination source. The illumination source creates light rays which are reflected by the first and second reflectors. The first reflector directs light rays toward the center line of the fixture. However, the reflected rays despite being so reflected do not substantially intersect the envelope. The reflected light rays from the second reflector being directed so that they diverge from the center line of the fixture avoiding intersection with the semi-transparent envelope. 5 figs.

Applying Bayesian hierarchical models to examine motorcycle crashes at signalized intersections.

PubMed

Haque, Md Mazharul; Chin, Hoong Chor; Huang, Helai

2010-01-01

Motorcycles are overrepresented in road traffic crashes and particularly vulnerable at signalized intersections. The objective of this study is to identify causal factors affecting the motorcycle crashes at both four-legged and T signalized intersections. Treating the data in time-series cross-section panels, this study explores different Hierarchical Poisson models and found that the model allowing autoregressive lag-1 dependence specification in the error term is the most suitable. Results show that the number of lanes at the four-legged signalized intersections significantly increases motorcycle crashes largely because of the higher exposure resulting from higher motorcycle accumulation at the stop line. Furthermore, the presence of a wide median and an uncontrolled left-turn lane at major roadways of four-legged intersections exacerbate this potential hazard. For T signalized intersections, the presence of exclusive right-turn lane at both major and minor roadways and an uncontrolled left-turn lane at major roadways increases motorcycle crashes. Motorcycle crashes increase on high-speed roadways because they are more vulnerable and less likely to react in time during conflicts. The presence of red light cameras reduces motorcycle crashes significantly for both four-legged and T intersections. With the red light camera, motorcycles are less exposed to conflicts because it is observed that they are more disciplined in queuing at the stop line and less likely to jump start at the start of green.

Orbital and spin angular momentum in conical diffraction

NASA Astrophysics Data System (ADS)

Berry, M. V.; Jeffrey, M. R.; Mansuripur, M.

2005-11-01

The angular momentum Jinc of a light beam can be changed by passage through a slab of crystal. When the beam is incident along the optic axis of a biaxial crystal, which may also possess optical activity (chirality), the final angular momentum J can have both orbital (Jorb) and spin (Jsp) contributions, which we calculate paraxially exactly for arbitrary biaxiality and chirality and initially uniformly polarized beams with circular symmetry. For the familiar special case of a non-chiral crystal with fully developed conical-refraction rings, J is purely orbital and equal to Jinc/2, reflecting an interesting singularity structure in the beam. Explicit formulas and numerical computations are presented for a Gaussian incident beam. The change in angular momentum results in a torque on the crystal, along the axis of the incident beam. An additional, much larger, torque, about an axis lying in the slab, arises from the offset of the cone of conical refraction relative to the incident beam.

Conical Refraction of Elastic Waves by Anisotropic Metamaterials and Application for Parallel Translation of Elastic Waves.

PubMed

Ahn, Young Kwan; Lee, Hyung Jin; Kim, Yoon Young

2017-08-30

Conical refraction, which is quite well-known in electromagnetic waves, has not been explored well in elastic waves due to the lack of proper natural elastic media. Here, we propose and design a unique anisotropic elastic metamaterial slab that realizes conical refraction for horizontally incident longitudinal or transverse waves; the single-mode wave is split into two oblique coupled longitudinal-shear waves. As an interesting application, we carried out an experiment of parallel translation of an incident elastic wave system through the anisotropic metamaterial slab. The parallel translation can be useful for ultrasonic non-destructive testing of a system hidden by obstacles. While the parallel translation resembles light refraction through a parallel plate without angle deviation between entry and exit beams, this wave behavior cannot be achieved without the engineered metamaterial because an elastic wave incident upon a dissimilar medium is always split at different refraction angles into two different modes, longitudinal and shear.

Chemical micro-sensor

DOEpatents

Ruggiero, Anthony J.

2005-05-03

An integrated optical capillary electrophoresis system for analyzing an analyte. A modulated optical pump beam impinges on an capillary containing the analyte/buffer solution which is separated by electrophoresis. The thermally-induced change in the index of refraction of light in said electrophoresis capillary is monitored using an integrated micro-interferometer. The interferometer includes a first interferometer arm intersecting the electrophoresis capillary proximate the excitation beam and a second, reference interferometer arm. Changes in index of refraction in the analyte measured by interrogating the interferometer state using white light interferometry and a phase-generated carrier demodulation technique. Background thermo-optical activity in the buffer solution is cancelled by splitting the pump beam and exciting pure buffer solution in a second section of capillary where it crosses the reference arm of the interferometer.

Gigantic terahertz magnetochromism via electromagnons in the hexaferrite magnet Ba2Mg2Fe12O22

NASA Astrophysics Data System (ADS)

Kida, N.; Kumakura, S.; Ishiwata, S.; Taguchi, Y.; Tokura, Y.

2011-02-01

Effects of temperature (6-225 K) and magnetic field (0-7 T) on the low-energy (1.2-5 meV) electrodynamics of the electromagnon, the magnetic resonance driven by the light electric field, have been investigated for a hexaferrite magnet Ba2Mg2Fe12O22 by using terahertz time-domain spectroscopy. We find the gigantic terahertz magnetochromism via electromagnons; the magnetochromic change, as defined by the difference of the absorption intensity with and without magnetic field, exceeds 500% even at 0.6 T. The results arise from the fact that the spectral intensity of the electromagnon critically depends on the magnetic structure. With changing the conical spin structures in terms of the conical angle θ from the proper screw (θ=0°) to the ferrimagnetic (θ=90°) through the conical spin-ordered phases (0°<θ<90°) by external magnetic fields, we identify the maximal magnetochromism around θ≈45°. On the contrary, there is no remarkable signature of the electromagnon in the proper screw and spin-collinear (ferrimagnetic) phases, clearly indicating the important role of the conical spin order to produce the magnetically controllable electromagnons. The possible origin of this electromagnon is argued in terms of the exchange-striction mechanism.

Low-cost safety measures at signalized intersections.

DOT National Transportation Integrated Search

2008-05-01

The objectives of this study were to: a) identify intersections with a high number of crashes involving a driver disregarding the traffic signal, b) identify types of low-cost safety measures which may be used as a countermeasure for red light runnin...

On a silicon-based photonic-crystal cavity for the near-IR region: Numerical simulation and formation technology

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

Serafimovich, P. G.; Stepikhova, M. V., E-mail: mst@ipm.sci-nnov.ru; Kazanskiy, N. L.

2016-08-15

The production technology of a photonic-crystal cavity formed as a group of holes in a silicon strip waveguide by ion-beam etching is described. The parasitic effect associated with hole conicity which develops upon hole formation by the given technology is studied. Numerical simulation shows that the hole-conicity induced decrease in the cavity quality factor can be compensated with consideration for the hole volume. The influence of the waveguide thickness on the resonance wavelength and quality factor of the photonic-crystal cavity is analyzed.

Design and Evaluation of a Dynamic Dilemma Zone System for a High Speed Rural Intersection : Research Summary

DOT National Transportation Integrated Search

2012-08-01

Improving traffic safety is a priority transportation issue. A tremendous amount of : resources has been invested on improving safety and efficiency at signalized : intersections. Although programs such as driver education, red-light camera : deploym...

General relativistic study of astrophysical jets with internal shocks

NASA Astrophysics Data System (ADS)

Vyas, Mukesh K.; Chattopadhyay, Indranil

2017-08-01

We explore the possibility of the formation of steady internal shocks in jets around black holes. We consider a fluid described by a relativistic equation of state, flowing about the axis of symmetry (θ = 0) in a Schwarzschild metric. We use two models for the jet geometry: (I) a conical geometry and (II) a geometry with non-conical cross-section. A jet with conical geometry has a smooth flow, while the jet with non-conical cross-section undergoes multiple sonic points and even standing shock. The jet shock becomes stronger, as the shock location is situated farther from the central black hole. Jets with very high energy and very low energy do not harbour shocks, but jets with intermediate energies do harbour shocks. One advantage of these shocks, as opposed to shocks mediated by external medium, is that these shocks have no effect on the jet terminal speed, but may act as possible sites for particle acceleration. Typically, a jet with specific energy 1.8c2 will achieve a terminal speed of v∞ = 0.813c for jet with any geometry, where, c is the speed of light in vacuum. But for a jet of non-conical cross-section for which the length scale of the inner torus of the accretion disc is 40rg, then, in addition, a steady shock will form at rsh ˜ 7.5rg and compression ratio of R ˜ 2.7. Moreover, electron-proton jet seems to harbour the strongest shock. We will discuss possible consequences of such a scenario.

Scattering rings in optically anisotropic porous silicon

NASA Astrophysics Data System (ADS)

Oton, C. J.; Gaburro, Z.; Ghulinyan, M.; Pancheri, L.; Bettotti, P.; Negro, L. Dal; Pavesi, L.

2002-12-01

We report the observation of strongly anisotropic scattering of laser light at oblique incidence on a (100)-oriented porous silicon layer. The scattered light forms cones tangent to the incident and reflected beams. The conical pattern is caused by scattering on the vertical walls of pores, which are straight along the layer thickness. The light cone defines structured light rings onto a screen normal to the cone axis. We explain the various structures by optical anisotropy of porous silicon. For the sample under analysis, we directly measure from the ring patterns a value of Δn/nord=8% of positive birefringence.

The trend of road traffic crashes at urban signalised intersection

NASA Astrophysics Data System (ADS)

Farhana Nasarrudin, Nurul; Razelan, Intan Suhana Mohd

2018-04-01

Road traffic crash is one of the main contributing factors for deaths in the world. Intersection is listed as the second road type which road crashes occurred frequently. Hence, the traffic light was installed to minimise the road crashes at intersection. However, the crashes are still occurring and arising. The objective of this study was to exhibit the trend of road crashes at the signalised intersections. The data of road crashes for the past 6 years were analysed using descriptive analysis. The results showed that the road traffic crashes at three- and four-legged signalised intersection recorded the increasing trend. In conclusion, this finding shows that the road traffic crashes for these types of signalised intersection in Malaysia is rising. It is also one the contributors to the increasing number of crashes in Malaysia. This finding will encourage the local authority to conduct awareness programs on the safety at the signalised intersection.

Crystallinity, Surface Morphology, and Photoelectrochemical Effects in Conical InP and InN Nanowires Grown on Silicon.

PubMed

Parameshwaran, Vijay; Xu, Xiaoqing; Clemens, Bruce

2016-08-24

The growth conditions of two types of indium-based III-V nanowires, InP and InN, are tailored such that instead of yielding conventional wire-type morphologies, single-crystal conical structures are formed with an enlarged diameter either near the base or near the tip. By using indium droplets as a growth catalyst, combined with an excess indium supply during growth, "ice cream cone" type structures are formed with a nanowire "cone" and an indium-based "ice cream" droplet on top for both InP and InN. Surface polycrystallinity and annihilation of the catalyst tip of the conical InP nanowires are observed when the indium supply is turned off during the growth process. This growth design technique is extended to create single-crystal InN nanowires with the same morphology. Conical InN nanowires with an enlarged base are obtained through the use of an excess combined Au-In growth catalyst. Electrochemical studies of the InP nanowires on silicon demonstrate a reduction photocurrent as a proof of photovolatic behavior and provide insight as to how the observed surface polycrystallinity and the resulting interface affect these device-level properties. Additionally, a photovoltage is induced in both types of conical InN nanowires on silicon, which is not replicated in epitaxial InN thin films.

Safety evaluation of intersections with dynamic use of exit-lanes for left-turn using field data.

PubMed

Zhao, Jing; Liu, Yue

2017-05-01

As a newly proposed unconventional intersection design, the exit-lanes for left-turn (EFL) intersection is found to be effective in increasing the intersection capacity with high level of application flexibility, especially under heavy left-turn traffic conditions. However, the operational safety of EFL is of most concern to the authority prior to its implementation. This paper evaluates the safety of the EFL intersections by studying the behavior of left-turn maneuvers using field data collected at 7 locations in China. A total of 22830 left-turn vehicles were captured, in which 9793 vehicles turned left using the mixed-usage area. Four potential safety problems, including the red-light violations, head-on collision risks, trapped vehicles, and rear-end crash risks, were discussed. Statistical analyses were carried out to compare the safety risk between the EFL intersection and the conventional one. Results indicate that the safety problems of EFL intersections mainly lie in higher percentages in red-light violations at the pre-signal (1.83% higher), wrong-way violation problems during the peak hours (the violation rate reaches up to 11.07%), and the lower travel speeds in the mixed-usage area (18.75% lower). Such risks can be counteracted, however, by providing more guiding information, installing cameras to investigate and punish violation maneuvers, and adjusting design parameter values for layout design and signal timing, respectively. Copyright © 2017 Elsevier Ltd. All rights reserved.

Intelligent dilemma zone protection system at high-speed intersections : final report.

DOT National Transportation Integrated Search

2017-07-01

Drivers actions in an intersections dilemma zone the area where the decision to stop at a yellow light or continue through it is not clear-cut can lead to side-angle and rear-end crashes. In Maryland, researchers developed an intelligen...

Intelligent dilemma zone protection system at high-speed intersections : research summary.

DOT National Transportation Integrated Search

2017-07-01

Drivers actions in an intersections dilemma zone the area where the decision to stop at a yellow light or continue through it is not clear-cut can lead to side-angle and rear-end crashes. In Maryland, researchers developed an intelligen...

21 CFR 884.4260 - Hygroscopic Laminaria cervical dilator.

Code of Federal Regulations, 2011 CFR

2011-04-01

... conical and expansible material made from the root of a seaweed (Laminaria digitata or Laminaria japonica). The device is used to induce abortion. (b) Classification. Class II (performance standards). ...

Conical-Domain Model for Estimating GPS Ionospheric Delays

NASA Technical Reports Server (NTRS)

Sparks, Lawrence; Komjathy, Attila; Mannucci, Anthony

2009-01-01

The conical-domain model is a computational model, now undergoing development, for estimating ionospheric delays of Global Positioning System (GPS) signals. Relative to the standard ionospheric delay model described below, the conical-domain model offers improved accuracy. In the absence of selective availability, the ionosphere is the largest source of error for single-frequency users of GPS. Because ionospheric signal delays contribute to errors in GPS position and time measurements, satellite-based augmentation systems (SBASs) have been designed to estimate these delays and broadcast corrections. Several national and international SBASs are currently in various stages of development to enhance the integrity and accuracy of GPS measurements for airline navigation. In the Wide Area Augmentation System (WAAS) of the United States, slant ionospheric delay errors and confidence bounds are derived from estimates of vertical ionospheric delay modeled on a grid at regularly spaced intervals of latitude and longitude. The estimate of vertical delay at each ionospheric grid point (IGP) is calculated from a planar fit of neighboring slant delay measurements, projected to vertical using a standard, thin-shell model of the ionosphere. Interpolation on the WAAS grid enables estimation of the vertical delay at the ionospheric pierce point (IPP) corresponding to any arbitrary measurement of a user. (The IPP of a given user s measurement is the point where the GPS signal ray path intersects a reference ionospheric height.) The product of the interpolated value and the user s thin-shell obliquity factor provides an estimate of the user s ionospheric slant delay. Two types of error that restrict the accuracy of the thin-shell model are absent in the conical domain model: (1) error due to the implicit assumption that the electron density is independent of the azimuthal angle at the IPP and (2) error arising from the slant-to-vertical conversion. At low latitudes or at mid-latitudes under disturbed conditions, the accuracy of SBAS systems based upon the thin-shell model suffers due to the presence of complex ionospheric structure, high delay values, and large electron density gradients. Interpolation on the vertical delay grid serves as an additional source of delay error. The conical-domain model permits direct computation of the user s slant delay estimate without the intervening use of a vertical delay grid. The key is to restrict each fit of GPS measurements to a spatial domain encompassing signals from only one satellite. The conical domain model is so named because each fit involves a group of GPS receivers that all receive signals from the same GPS satellite (see figure); the receiver and satellite positions define a cone, the satellite position being the vertex. A user within a given cone evaluates the delay to the satellite directly, using (1) the IPP coordinates of the line of sight to the satellite and (2) broadcast fit parameters associated with the cone. The conical-domain model partly resembles the thin-shell model in that both models reduce an inherently four-dimensional problem to two dimensions. However, unlike the thin-shell model, the conical domain model does not involve any potentially erroneous simplifying assumptions about the structure of the ionosphere. In the conical domain model, the initially four-dimensional problem becomes truly two-dimensional in the sense that once a satellite location has been specified, any signal path emanating from a satellite can be identified by only two coordinates; for example, the IPP coordinates. As a consequence, a user s slant-delay estimate converges to the correct value in the limit that the receivers converge to the user s location (or, equivalently, in the limit that the measurement IPPs converge to the user s IPP).

Electromagnetic retroreflection augmented by spherical and conical metasurfaces

NASA Astrophysics Data System (ADS)

Shang, Yuping; Shen, Zhongxiang

2017-11-01

The focus of this paper is on phase gradient metasurfaces conformal to spherical and conical bodies of revolution, with an aim of engineering retroreflections and therefore augmenting backscattering cross-sections of those three-dimensional geometries under the illumination of a plane electromagnetic wave. Based on the conducting sphere and cone, the effect of the geometric revolution property on the selection of the unit inclusion of metasurfaces is considered. The procedure for using the selected unit inclusion to implement the proper reflection phase gradient onto the illuminated surfaces of those objects is formulated in detail. Retroreflections resembling conducting plates under normal incidence are observed for both the conducting sphere and cone coated with conformal metasurfaces. As a result, the redirection-induced retroreflection effectively contributes to the backscattering cross-section enhancement. A good agreement between full-wave simulations and measurements demonstrates the validity and effectiveness of backscattering cross-section enhancement using spherical and conical metasurfaces.

Dynamic all-red extension at signalized intersection : probabilistic modeling and algorithm.

DOT National Transportation Integrated Search

2011-01-01

Red light running has been a major cause of intersection injuries and fatalities in the United : States. In 2004 alone, there were 8,619 fatal crashes and 848,000 crashes with people injured, all : caused by RLR. Under the U.S. Department of Transpor...

Waiting endurance time estimation of electric two-wheelers at signalized intersections.

PubMed

Huan, Mei; Yang, Xiao-bao

2014-01-01

The paper proposed a model for estimating waiting endurance times of electric two-wheelers at signalized intersections using survival analysis method. Waiting duration times were collected by video cameras and they were assigned as censored and uncensored data to distinguish between normal crossing and red-light running behavior. A Cox proportional hazard model was introduced, and variables revealing personal characteristics and traffic conditions were defined as covariates to describe the effects of internal and external factors. Empirical results show that riders do not want to wait too long to cross intersections. As signal waiting time increases, electric two-wheelers get impatient and violate the traffic signal. There are 12.8% of electric two-wheelers with negligible wait time. 25.0% of electric two-wheelers are generally nonrisk takers who can obey the traffic rules after waiting for 100 seconds. Half of electric two-wheelers cannot endure 49.0 seconds or longer at red-light phase. Red phase time, motor vehicle volume, and conformity behavior have important effects on riders' waiting times. Waiting endurance times would decrease with the longer red-phase time, the lower traffic volume, or the bigger number of other riders who run against the red light. The proposed model may be applicable in the design, management and control of signalized intersections in other developing cities.

Waiting Endurance Time Estimation of Electric Two-Wheelers at Signalized Intersections

PubMed Central

Huan, Mei; Yang, Xiao-bao

2014-01-01

The paper proposed a model for estimating waiting endurance times of electric two-wheelers at signalized intersections using survival analysis method. Waiting duration times were collected by video cameras and they were assigned as censored and uncensored data to distinguish between normal crossing and red-light running behavior. A Cox proportional hazard model was introduced, and variables revealing personal characteristics and traffic conditions were defined as covariates to describe the effects of internal and external factors. Empirical results show that riders do not want to wait too long to cross intersections. As signal waiting time increases, electric two-wheelers get impatient and violate the traffic signal. There are 12.8% of electric two-wheelers with negligible wait time. 25.0% of electric two-wheelers are generally nonrisk takers who can obey the traffic rules after waiting for 100 seconds. Half of electric two-wheelers cannot endure 49.0 seconds or longer at red-light phase. Red phase time, motor vehicle volume, and conformity behavior have important effects on riders' waiting times. Waiting endurance times would decrease with the longer red-phase time, the lower traffic volume, or the bigger number of other riders who run against the red light. The proposed model may be applicable in the design, management and control of signalized intersections in other developing cities. PMID:24895659

Analysis of Emission Effects Related to Drivers' Compliance Rates for Cooperative Vehicle-Infrastructure System at Signalized Intersections.

PubMed

Liao, Ruohua; Chen, Xumei; Yu, Lei; Sun, Xiaofei

2018-01-12

Unknown remaining time of signal phase at a signalized intersection generally results in extra accelerations and decelerations that increase variations of operating conditions and thus emissions. A cooperative vehicle-infrastructure system can reduce unnecessary speed changes by establishing communications between vehicles and the signal infrastructure. However, the environmental benefits largely depend on drivers' compliance behaviors. To quantify the effects of drivers' compliance rates on emissions, this study applied VISSIM 5.20 (Planung Transport Verkehr AG, Karlsruhe, Germany) to develop a simulation model for a signalized intersection, in which light duty vehicles were equipped with a cooperative vehicle-infrastructure system. A vehicle-specific power (VSP)-based model was used to estimate emissions. Based on simulation data, the effects of different compliance rates on VSP distributions, emission factors, and total emissions were analyzed. The results show the higher compliance rate decreases the proportion of VSP bin = 0, which means that the frequencies of braking and idling were lower and light duty vehicles ran more smoothly at the intersection if more light duty vehicles complied with the cooperative vehicle-infrastructure system, and emission factors for light duty vehicles decreased significantly as the compliance rate increased. The case study shows higher total emission reductions were observed with higher compliance rate for all of CO₂, NO x , HC, and CO emissions. CO₂ was reduced most significantly, decreased by 16% and 22% with compliance rates of 0.3 and 0.7, respectively.

Analysis of Emission Effects Related to Drivers’ Compliance Rates for Cooperative Vehicle-Infrastructure System at Signalized Intersections

PubMed Central

Liao, Ruohua; Yu, Lei; Sun, Xiaofei

2018-01-01

Unknown remaining time of signal phase at a signalized intersection generally results in extra accelerations and decelerations that increase variations of operating conditions and thus emissions. A cooperative vehicle-infrastructure system can reduce unnecessary speed changes by establishing communications between vehicles and the signal infrastructure. However, the environmental benefits largely depend on drivers’ compliance behaviors. To quantify the effects of drivers’ compliance rates on emissions, this study applied VISSIM 5.20 (Planung Transport Verkehr AG, Karlsruhe, Germany) to develop a simulation model for a signalized intersection, in which light duty vehicles were equipped with a cooperative vehicle-infrastructure system. A vehicle-specific power (VSP)-based model was used to estimate emissions. Based on simulation data, the effects of different compliance rates on VSP distributions, emission factors, and total emissions were analyzed. The results show the higher compliance rate decreases the proportion of VSP bin = 0, which means that the frequencies of braking and idling were lower and light duty vehicles ran more smoothly at the intersection if more light duty vehicles complied with the cooperative vehicle-infrastructure system, and emission factors for light duty vehicles decreased significantly as the compliance rate increased. The case study shows higher total emission reductions were observed with higher compliance rate for all of CO2, NOx, HC, and CO emissions. CO2 was reduced most significantly, decreased by 16% and 22% with compliance rates of 0.3 and 0.7, respectively. PMID:29329214

A surface hopping algorithm for nonadiabatic minimum energy path calculations.

PubMed

Schapiro, Igor; Roca-Sanjuán, Daniel; Lindh, Roland; Olivucci, Massimo

2015-02-15

The article introduces a robust algorithm for the computation of minimum energy paths transiting along regions of near-to or degeneracy of adiabatic states. The method facilitates studies of excited state reactivity involving weakly avoided crossings and conical intersections. Based on the analysis of the change in the multiconfigurational wave function the algorithm takes the decision whether the optimization should continue following the same electronic state or switch to a different state. This algorithm helps to overcome convergence difficulties near degeneracies. The implementation in the MOLCAS quantum chemistry package is discussed. To demonstrate the utility of the proposed procedure four examples of application are provided: thymine, asulam, 1,2-dioxetane, and a three-double-bond model of the 11-cis-retinal protonated Schiff base. © 2015 Wiley Periodicals, Inc.

Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

NASA Astrophysics Data System (ADS)

Shiozaki, Toru; Győrffy, Werner; Celani, Paolo; Werner, Hans-Joachim

2011-08-01

The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented.

Perpendicular State of an Electronically Excited Stilbene: Observation by Femtosecond-Stimulated Raman Spectroscopy.

PubMed

Quick, Martin; Dobryakov, Alexander L; Ioffe, Ilya N; Granovsky, Alex A; Kovalenko, Sergey A; Ernsting, Nikolaus P

2016-10-20

In the photoisomerization path of stilbene, a perpendicular state P on the S 1 potential energy surface is expected just before internal conversion through a conical intersection S 1 /S 0 . For decades the observation of P was thwarted by a short lifetime τ P in combination with slow population flow over a barrier. But these limitations can be overcome by ethylenic substitution. Following optical excitation of trans-1,1'-dicyanostilbene, P is populated significantly (τ P = 27 ps in n-hexane) and monitored by an exited-state absorption band at 370 nm. Here we report stimulated Raman lines of P. The strongest, at 1558 cm -1 , is attributed to stretching vibrations of the phenyl rings. Transient electronic states, resonance conditions, and corresponding Raman signals are discussed.

Effects of countdown timers on driver behavior after the yellow onset at Chinese intersections.

PubMed

Long, Kejun; Han, Lee D; Yang, Qiang

2011-10-01

Few studies have focused on the effect of countdown timers at signalized intersections in China, where such timers are widely deployed for their perceived benefits of increased safety and capacity. This study examines the effect of countdown timers on driver behavior during the yellow interval. Signal phasing and traffic operations were videotaped at 4 comparable signalized intersections under normal conditions. Microscopic details were extracted manually at 25 Hz to yield 24 h of data on onset time of the yellow, onset time of the red, driver location and actions after the onset of the yellow, red light-running violations, etc. For comparable intersections with and without countdown timers, driver behavior measured by driver decision (stop or go) and vehicle entry time (when the vehicle crosses the stop line) were analyzed using binary logistical regression (BLR) and a nonparametric test, respectively. The results suggest that countdown timers can indeed influence driver behaviors, in terms of decisions to stop or cross the intersection as well as the distribution of vehicle entry times. There was a strong correlation between the presence of countdown timers and an increase in red light violations. Countdown timers may lead to increased entrance into the intersection during the later portions of the yellow and even the red. This alarming finding calls for further research as well as for serious consideration before the field deployment of countdown timers.

Evaluation of optical performance of 4 aspheric toric intraocular lenses using an optical bench system: Influence of pupil size, decentration, and rotation.

PubMed

Kim, Min-Ji; Yoo, Young-Sik; Joo, Choun-Ki; Yoon, Geunyoung

2015-10-01

To evaluate the effect of pupil size, degree of intraocular lens (IOL) decentration, and rotation of 4 aspheric toric IOLs on the image quality. Department of Ophthalmology, Seoul St. Mary's Hospital, Seoul, South Korea. Experimental study. Four aspheric toric intraocular lenses (IOLs)-the Precizon (transitional conic toric IOL), AT Torbi 709M (bitoric IOL), SN6AT4 (posterior toric surface IOL), and ZCT225 (anterior toric surface IOL)-were evaluated using the optical bench metrology system. Measurements included changes in spherical aberrations, relative spherical equivalent (SE), and image quality at different pupil diameters and image quality degradation due to decentration and rotation of the IOLs. Change in relative SE with pupil size in aberration-free toric IOLs (transitional conic toric and bitoric IOLs) was greater than in negatively aspheric toric IOLs (posterior toric surface and anterior toric surface IOLs). In contrast, the aberration-free IOLs showed higher contrast than the negatively aspheric IOLs. When IOLs were decentered by 1.0 mm, the contrast reduction rates at 17.6 cycles per degree for the transitional conic toric IOL, bitoric IOL, posterior toric surface IOL, and anterior toric surface IOL were 5.1%, 3.1%, 12.2%, and 15.8%, respectively. Rotation-induced deterioration of contrast to 0.5 required a much higher rotation for the transitional conic toric IOL than for the other 3 IOLs. The transitional conic toric IOL and bitoric IOL provided superior image quality despite pupil size changes and the presence of decentration. The transitional conic toric IOL demonstrated maximum rotation tolerance compared with the other IOLs. No author has a financial or proprietary interest in any material or method mentioned. Copyright © 2015 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

The physics of badminton

NASA Astrophysics Data System (ADS)

Cohen, Caroline; Darbois Texier, Baptiste; Quéré, David; Clanet, Christophe

2015-06-01

The conical shape of a shuttlecock allows it to flip on impact. As a light and extended particle, it flies with a pure drag trajectory. We first study the flip phenomenon and the dynamics of the flight and then discuss the implications on the game. Lastly, a possible classification of different shots is proposed.

Improved xenon lamp for solar simulators: A concept

NASA Technical Reports Server (NTRS)

Schmidt, L. F.

1974-01-01

Short-arc xenon lamp proposes to produce more uniform solar output. With this lamp, both axes of sensors can be tested with same setup. Lamp includes cathode with conical tip and annular anode. Annulus is supported by angled projection to avoid interference with passage of light generated by arc.

27 CFR 9.217 - Happy Canyon of Santa Barbara.

Code of Federal Regulations, 2011 CFR

2011-04-01

... Barbara viticultural area are titled: (1) Los Olivos, CA, 1995; (2) Figueroa Mountain, CA, 1995; (3) Lake... intersection of the Santa Lucia Ranger District diagonal line and Figueroa Mountain Road, a light-duty road... diagonal line, crossing onto the Figueroa Mountain map, and continuing east to its intersection with the...

27 CFR 9.217 - Happy Canyon of Santa Barbara.

Code of Federal Regulations, 2014 CFR

2014-04-01

... Barbara viticultural area are titled: (1) Los Olivos, CA, 1995; (2) Figueroa Mountain, CA, 1995; (3) Lake... intersection of the Santa Lucia Ranger District diagonal line and Figueroa Mountain Road, a light-duty road... diagonal line, crossing onto the Figueroa Mountain map, and continuing east to its intersection with the...

27 CFR 9.217 - Happy Canyon of Santa Barbara.

Code of Federal Regulations, 2013 CFR

2013-04-01

... Barbara viticultural area are titled: (1) Los Olivos, CA, 1995; (2) Figueroa Mountain, CA, 1995; (3) Lake... intersection of the Santa Lucia Ranger District diagonal line and Figueroa Mountain Road, a light-duty road... diagonal line, crossing onto the Figueroa Mountain map, and continuing east to its intersection with the...

27 CFR 9.217 - Happy Canyon of Santa Barbara.

Code of Federal Regulations, 2010 CFR

2010-04-01

... Barbara viticultural area are titled: (1) Los Olivos, CA, 1995; (2) Figueroa Mountain, CA, 1995; (3) Lake... intersection of the Santa Lucia Ranger District diagonal line and Figueroa Mountain Road, a light-duty road... diagonal line, crossing onto the Figueroa Mountain map, and continuing east to its intersection with the...

27 CFR 9.217 - Happy Canyon of Santa Barbara.

Code of Federal Regulations, 2012 CFR

2012-04-01

... Barbara viticultural area are titled: (1) Los Olivos, CA, 1995; (2) Figueroa Mountain, CA, 1995; (3) Lake... intersection of the Santa Lucia Ranger District diagonal line and Figueroa Mountain Road, a light-duty road... diagonal line, crossing onto the Figueroa Mountain map, and continuing east to its intersection with the...

27 CFR 9.127 - Cayuga Lake.

Code of Federal Regulations, 2013 CFR

2013-04-01

... of State Route 90 with State Route 326. (3) Then south along the primary, all-weather, hard surface.../southeast along State Route 90 until it intersects the light-duty, all-weather, hard or improved surface..., hard or improved surface road, approximately 4 miles, until it intersects State Route 34B, just south...

27 CFR 9.127 - Cayuga Lake.

Code of Federal Regulations, 2014 CFR

2014-04-01

... of State Route 90 with State Route 326. (3) Then south along the primary, all-weather, hard surface.../southeast along State Route 90 until it intersects the light-duty, all-weather, hard or improved surface..., hard or improved surface road, approximately 4 miles, until it intersects State Route 34B, just south...

27 CFR 9.127 - Cayuga Lake.

Code of Federal Regulations, 2012 CFR

2012-04-01

... of State Route 90 with State Route 326. (3) Then south along the primary, all-weather, hard surface.../southeast along State Route 90 until it intersects the light-duty, all-weather, hard or improved surface..., hard or improved surface road, approximately 4 miles, until it intersects State Route 34B, just south...

Highly Polarized Fluorescent Illumination Using Liquid Crystal Phase.

PubMed

Gim, Min-Jun; Turlapati, Srikanth; Debnath, Somen; Rao, Nandiraju V S; Yoon, Dong Ki

2016-02-10

Liquid crystal (LC) materials are currently the dominant electronic materials in display technology because of the ease of control of molecular orientation using an electric field. However, this technology requires the fabrication of two polarizers to create operational displays, reducing light transmission efficiency below 10%. It is therefore desirable to develop new technologies to enhance the light efficiency while maintaining or improving other properties such as the modulation speed of the molecular orientation. Here we report a uniaxial-oriented B7 smectic liquid crystalline film, using fluorescent bent-core LC molecules, a chemically modified substrate, and an in-plane electric field. A LC droplet under homeotropic boundary conditions of air/LC as well as LC/substrate exhibits large focal conic like optical textures. The in-plane electric field induced uniaxial orientation of the LC molecules, in which molecular polar directors are aligned in the direction of the electric field. This highly oriented LC film exhibits linearly polarized luminescence and microsecond time-scale modulation characteristics. The resultant device is both cheap and easy to fabricate and thus has great potential for electro-optic applications, including LC displays, bioimaging systems, and optical communications.

Propensity scores-potential outcomes framework to incorporate severity probabilities in the highway safety manual crash prediction algorithm.

PubMed

Sasidharan, Lekshmi; Donnell, Eric T

2014-10-01

Accurate estimation of the expected number of crashes at different severity levels for entities with and without countermeasures plays a vital role in selecting countermeasures in the framework of the safety management process. The current practice is to use the American Association of State Highway and Transportation Officials' Highway Safety Manual crash prediction algorithms, which combine safety performance functions and crash modification factors, to estimate the effects of safety countermeasures on different highway and street facility types. Many of these crash prediction algorithms are based solely on crash frequency, or assume that severity outcomes are unchanged when planning for, or implementing, safety countermeasures. Failing to account for the uncertainty associated with crash severity outcomes, and assuming crash severity distributions remain unchanged in safety performance evaluations, limits the utility of the Highway Safety Manual crash prediction algorithms in assessing the effect of safety countermeasures on crash severity. This study demonstrates the application of a propensity scores-potential outcomes framework to estimate the probability distribution for the occurrence of different crash severity levels by accounting for the uncertainties associated with them. The probability of fatal and severe injury crash occurrence at lighted and unlighted intersections is estimated in this paper using data from Minnesota. The results show that the expected probability of occurrence of fatal and severe injury crashes at a lighted intersection was 1 in 35 crashes and the estimated risk ratio indicates that the respective probabilities at an unlighted intersection was 1.14 times higher compared to lighted intersections. The results from the potential outcomes-propensity scores framework are compared to results obtained from traditional binary logit models, without application of propensity scores matching. Traditional binary logit analysis suggests that the probability of occurrence of severe injury crashes is higher at lighted intersections compared to unlighted intersections, which contradicts the findings obtained from the propensity scores-potential outcomes framework. This finding underscores the importance of having comparable treated and untreated entities in traffic safety countermeasure evaluations. Copyright © 2014 Elsevier Ltd. All rights reserved.

One Approach to the Synthesis, Design and Manufacture of Hyperboloid Gear Sets with Face Mating Gears. Part 2: Review of Practical Realization

NASA Astrophysics Data System (ADS)

Abadjiev, Valentin; Abadjieva, Emilia

2016-09-01

Hyperboloid gear drives with face mating gears are used to transform rotations between shafts with non-parallel and non-intersecting axes. A special case of these transmissions are Spiroid1 and Helicon gear drives. The classical gear drives of this type are Archimedean ones. The objective of this study are hyperboloid gear drives with face meshing, when the pinion has threads of conic convolute, Archimedean and involute types, or the pinion has threads of cylindrical convolute, Archimedean and involute types. For simplicity, all three type transmissions with face mating gears and a conic pinion are titled Spiroid and all three type trans- missions with face mating gears and a cylindrical pinion are titled Helicon. Principles of the mathematical modelling of tooth contact synthesis are discussed in Part 1: Basic theoretical and CAD experience of this study. The second part of this article is a brief overview of the innovations and inventions created in this field at the Institute of Mechanics - Bulgarian Academy of Sciences in the last three decades. This study is also dedicated on elaboration of the specialized face gear sets for implementation into bio-robot hand. It is based on the application of 3D software technology, using 3D print for the realization of the physical models of the gear drives.

Reductions in injury crashes associated with red light camera enforcement in oxnard, california.

PubMed

Retting, Richard A; Kyrychenko, Sergey Y

2002-11-01

This study estimated the impact of red light camera enforcement on motor vehicle crashes in one of the first US communities to employ such cameras-Oxnard, California. Crash data were analyzed for Oxnard and for 3 comparison cities. Changes in crash frequencies were compared for Oxnard and control cities and for signalized and nonsignalized intersections by means of a generalized linear regression model. Overall, crashes at signalized intersections throughout Oxnard were reduced by 7% and injury crashes were reduced by 29%. Right-angle crashes, those most associated with red light violations, were reduced by 32%; right-angle crashes involving injuries were reduced by 68%. Because red light cameras can be a permanent component of the transportation infrastructure, crash reductions attributed to camera enforcement should be sustainable.

Dynamics at Conical Intersections

NASA Astrophysics Data System (ADS)

Schuurman, Michael S.; Stolow, Albert

2018-04-01

The nonadiabatic coupling of electronic and vibrational degrees of freedom is the defining feature of electronically excited states of polyatomic molecules. Once considered a theoretical curiosity, conical intersections (CIs) are now generally accepted as being the dominant source of coupled charge and vibrational energy flow in molecular excited states. Passage through CIs leads to the conversion of electronic to vibrational energy, which drives the ensuing photochemistry, isomerization being a canonical example. It has often been remarked that the CI may be thought of as a transition state in the excited state. As such, we expect that both the direction and the velocity of approach to the CI will matter. We explore this suggestion by looking for dynamical aspects of passage through CIs and for analogies with well-known concepts from ground-state reaction dynamics. Great progress has been made in the development of both experimental techniques and ab initio dynamics simulations, to a degree that direct comparisons may now be made. Here we compare time-resolved photoelectron spectroscopy results with on-the-fly ab initio multiple spawning calculations of the experimental observables, thereby validating each. We adopt a phenomenological approach and specifically concentrate on the excited-state dynamics of the C=C bond in unsaturated hydrocarbons. In particular, we make use of selective chemical substitution (such as replacing an H atom by a methyl group) so as to alter the inertia of certain vibrations relative to others, thus systematically varying (mass-weighted) directions and velocities of approach to a CI. Chemical substituents, however, may affect both the nuclear and electronic components of the total wave function. The former, which we call an inertial effect, influences the direction and velocity of approach. The latter, which we call a potential effect, modifies the electronic structure and therefore the energetic location and topography of the potential energy surfaces involved. Using a series of examples, we discuss both types of effects. We argue that there is a need for dynamical pictures and simple models of nonadiabatic dynamics at CIs and hope that the phenomenology presented here will help inspire such developments.

Extreme population inversion in the fragments formed by UV photoinduced S-H bond fission in 2-thiophenethiol.

PubMed

Ingle, Rebecca A; Karsili, Tolga N V; Dennis, Gregg J; Staniforth, Michael; Stavros, Vasilios G; Ashfold, Michael N R

2016-04-28

H atom loss following near ultraviolet photoexcitation of gas phase 2-thiophenethiol molecules has been studied experimentally, by photofragment translational spectroscopy (PTS) methods, and computationally, by ab initio electronic structure calculations. The long wavelength (277.5 ≥ λ(phot) ≥ 240 nm) PTS data are consistent with S-H bond fission after population of the first (1)πσ* state. The partner thiophenethiyl (R) radicals are formed predominantly in their first excited Ã(2)A' state, but assignment of a weak signal attributable to H + R(X˜(2)A'') products allows determination of the S-H bond strength, D0 = 27,800 ± 100 cm(-1) and the Ã-X˜ state splitting in the thiophenethiyl radical (ΔE = 3580 ± 100 cm(-1)). The deduced population inversion between the à and X˜ states of the radical reflects the non-planar ground state geometry (wherein the S-H bond is directed near orthogonal to the ring plane) which, post-photoexcitation, is unable to planarise sufficiently prior to bond fission. This dictates that the dissociating molecules follow the adiabatic fragmentation pathway to electronically excited radical products. π* ← π absorption dominates at shorter excitation wavelengths. Coupling to the same (1)πσ* potential energy surface (PES) remains the dominant dissociation route, but a minor yield of H atoms attributable to a rival fragmentation pathway is identified. These products are deduced to arise via unimolecular decay following internal conversion to the ground (S0) state PES via a conical intersection accessed by intra-ring C-S bond extension. The measured translational energy disposal shows a more striking change once λ(phot) ≤ 220 nm. Once again, however, the dominant decay pathway is deduced to be S-H bond fission following coupling to the (1)πσ* PES but, in this case, many of the evolving molecules are deduced to have sufficiently near-planar geometries to allow passage through the conical intersection at extended S-H bond lengths and dissociation to ground (X˜) state radical products. The present data provide no definitive evidence that complete ring opening can compete with fast S-H bond fission following near UV photoexcitation of 2-thiophenethiol.

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

NASA Astrophysics Data System (ADS)

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

2013-07-01

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D6h Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D2 eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D1, D2 (N+-Phenyl, N-Phenyl+). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density - charge migration - between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.

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

Yuan, Bing; Bernstein, Elliot R., E-mail: erb@Colostate.edu

Unimolecular decomposition of nitrogen-rich energetic salt molecules bis(ammonium)5,5′-bistetrazolate (NH{sub 4}){sub 2}BT and bis(triaminoguanidinium) 5,5′-azotetrazolate TAGzT, has been explored via 283 nm laser excitation. The N{sub 2} molecule, with a cold rotational temperature (<30 K), is observed as an initial decomposition product, subsequent to UV excitation. Initial decomposition mechanisms for the two electronically excited salt molecules are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) ((NH{sub 4}){sub 2}BT) and ONIOM (CASSCF/6-31G(d):UFF) (TAGzT) levels illustrate that conical intersections play an essential role in the decomposition mechanism as they provide non-adiabatic, ultrafast radiationless internalmore » conversion between upper and lower electronic states. The tetrazole ring opens on the S{sub 1} excited state surface and, through conical intersections (S{sub 1}/S{sub 0}){sub CI}, N{sub 2} product is formed on the ground state potential energy surface without rotational excitation. The tetrazole rings open at the N2—N3 ring bond with the lowest energy barrier: the C—N ring bond opening has a higher energy barrier than that for any of the N—N ring bonds: this is consistent with findings for other nitrogen-rich neutral organic energetic materials. TAGzT can produce N{sub 2} either by the opening of tetrazole ring or from the N=N group linking its two tetrazole rings. Nonetheless, opening of a tetrazole ring has a much lower energy barrier. Vibrational temperatures of N{sub 2} products are hot based on theoretical predictions. Energy barriers for opening of the tetrazole ring for all the nitrogen-rich energetic materials studied thus far, including both neutral organic molecules and salts, are in the range from 0.31 to 2.71 eV. Energy of the final molecular structure of these systems with dissociated N{sub 2} product is in the range from −1.86 to 3.11 eV. The main difference between energetic salts and neutral nitrogen-rich energetic material is that energetic salts usually have lower excitation energy.« less

Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.

PubMed

Casanova, David

2012-08-28

The restricted active space spin-flip CI (RASCI-SF) performance is tested in the electronic structure computation of the ground and the lowest electronically excited states in the presence of near-degeneracies. The feasibility of the method is demonstrated by analyzing the avoided crossing between the ionic and neutral singlet states of LiF along the molecular dissociation. The two potential energy surfaces (PESs) are explored by means of the energies of computed adiabatic and approximated diabatic states, dipole moments, and natural orbital electronic occupancies of both states. The RASCI-SF methodology is also used to study the ground and first excited singlet surface crossing involved in the double bond isomerization of ethylene, as a model case. The two-dimensional PESs of the ground (S(0)) and excited (S(1)) states are calculated for the complete configuration space of torsion and pyramidalization molecular distortions. The parameters that define the state energetics in the vicinity of the S(0)/S(1) conical intersection region are compared to complete active space self-consistent field (CASSCF) results. These examples show that it is possible to describe strongly correlated electronic states using a single reference methodology without the need to expand the wavefunction to high levels of collective excitations. Finally, RASCI is also examined in the electronic structure characterization of the ground and 2(1)A(g)(-), 1(1)B(u)(+), 1(1)B(u)(-), and 1(3)B(u)(-) states of all-trans polyenes with two to seven double bonds and beyond. Transition energies are compared to configuration interaction singles, time-dependent density functional theory (TDDFT), CASSCF, and its second-order perturbation correction calculations, and to experimental data. The capability of RASCI-SF to describe the nature and properties of each electronic state is discussed in detail. This example is also used to expose the properties of different truncations of the RASCI wavefunction and to show the possibility to use an excitation operator with any number of α-to-β electronic promotions.

27 CFR 9.232 - Big Valley District-Lake County.

Code of Federal Regulations, 2014 CFR

2014-04-01

... approximately 0.3 mile to the road's intersection with the 1,400-foot elevation line, southern boundary of.... From the beginning point, proceed southerly (upstream) along Cole Creek approximately 0.9 mile to the... less than 0.1 mile to the road's intersection with the unnamed, light-duty road known locally as Clark...

Estimation of red-light running frequency using high-resolution traffic and signal data.

PubMed

Chen, Peng; Yu, Guizhen; Wu, Xinkai; Ren, Yilong; Li, Yueguang

2017-05-01

Red-light-running (RLR) emerges as a major cause that may lead to intersection-related crashes and endanger intersection safety. To reduce RLR violations, it's critical to identify the influential factors associated with RLR and estimate RLR frequency. Without resorting to video camera recordings, this study investigates this important issue by utilizing high-resolution traffic and signal event data collected from loop detectors at five intersections on Trunk Highway 55, Minneapolis, MN. First, a simple method is proposed to identify RLR by fully utilizing the information obtained from stop bar detectors, downstream entrance detectors and advance detectors. Using 12 months of event data, a total of 6550 RLR cases were identified. According to a definition of RLR frequency as the conditional probability of RLR on a certain traffic or signal condition (veh/1000veh), the relationships between RLR frequency and some influential factors including arriving time at advance detector, approaching speed, headway, gap to the preceding vehicle on adjacent lane, cycle length, geometric characteristics and even snowing weather were empirically investigated. Statistical analysis shows good agreement with the traffic engineering practice, e.g., RLR is most likely to occur on weekdays during peak periods under large traffic demands and longer signal cycles, and a total of 95.24% RLR events occurred within the first 1.5s after the onset of red phase. The findings confirmed that vehicles tend to run the red light when they are close to intersection during phase transition, and the vehicles following the leading vehicle with short headways also likely run the red light. Last, a simplified nonlinear regression model is proposed to estimate RLR frequency based on the data from advance detector. The study is expected to helpbetter understand RLR occurrence and further contribute to the future improvement of intersection safety. Copyright © 2017 Elsevier Ltd. All rights reserved.

Low-lying excited states by constrained DFT

NASA Astrophysics Data System (ADS)

Ramos, Pablo; Pavanello, Michele

2018-04-01

Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, Nc, in the virtual space of a reference set of occupied orbitals. By imposing this population to be Nc = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H3) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

New insights into photodissociation dynamics of cyclobutanone from the AIMS dynamic simulation

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

Liu, Lihong; Fang, Wei-Hai, E-mail: fangwh@bnu.edu.cn

2016-04-14

In this work, the combined electronic structure calculations and non-adiabatic dynamics simulations were performed for understanding mechanistic photodissociation of cyclobutanone at ∼248 nm. Besides the stationary and intersection structures reported before, two new conical intersections between the ground (S{sub 0}) and the first excited singlet (S{sub 1}) states were determined in the present study, which were confirmed to be the new S{sub 1} → S{sub 0} funnels by the ab initio multiple spawning dynamic simulation, giving rise to products in the S{sub 0} state selectively. The time evolution of the S{sub 1} electronic population was fitted with the pure exponentialmore » formulae, from which the S{sub 1} lifetime was estimated to be 484.0 fs. The time constant for the S{sub 1} α-cleavage is calculated to be 176.6 fs, which is based on the present dynamics simulation. As a result of the ultrafast S{sub 1} processes, the statistical distribution of the excess energies is prevented in the S{sub 1} state. The S{sub 1} dynamic effect (the nonergodic behavior) was predicted to be an important factor that is responsible for the wavelength dependence of the branching ratio of photodissociation products, which will be discussed in detail.« less

Interferometric characterization of the structured polarized light beam produced by the conical refraction phenomenon.

PubMed

Peinado, Alba; Turpin, Alex; Iemmi, Claudio; Márquez, Andrés; Kalkandjiev, Todor K; Mompart, Jordi; Campos, Juan

2015-07-13

The interest on the conical refraction (CR) phenomenon in biaxial crystals has revived in the last years due to its prospective for generating structured polarized light beams, i.e. vector beams. While the intensity and the polarization structure of the CR beams are well known, an accurate experimental study of their phase structure has not been yet carried out. We investigate the phase structure of the CR rings by means of a Mach-Zehnder interferometer while applying the phase-shifting interferometric technique to measure the phase at the focal plane. In general the two beams interfering correspond to different states of polarization (SOP) which locally vary. To distinguish if there is an additional phase added to the geometrical one we have derived the appropriate theoretical expressions using the Jones matrix formalism. We demonstrate that the phase of the CR rings is equivalent to that one introduced by an azimuthally segmented polarizer with CR-like polarization distribution. Additionally, we obtain direct evidence that the Poggendorff dark ring is an annular singularity, with a π phase change between the inner and outer bright rings.

A Reaction that Takes Place in Beakers but not in Conical Flasks

ERIC Educational Resources Information Center

White, Colin; Ophardt, Charles

2004-01-01

Inductors are substances that undergo a reaction and in so doing markedly accelerate or induce a simultaneous reaction. An experiment showing a reaction involving the oxidation of iodide to iodine by chromium (VI) found to be slow in the absence of acid, but which proceeded rapidly when iron (II) was induced is demonstrated.

Northwest side view showing 3 windows and security light ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Northwest side view showing 3 windows and security light - U.S. Naval Base, Pearl Harbor, Naval Hospital, Animal House, Near intersection of Hospital Way & Third Street, Pearl City, Honolulu County, HI

A method to generate soft shadows using a layered depth image and warping.

PubMed

Im, Yeon-Ho; Han, Chang-Young; Kim, Lee-Sup

2005-01-01

We present an image-based method for propagating area light illumination through a Layered Depth Image (LDI) to generate soft shadows from opaque and nonrefractive transparent objects. In our approach, using the depth peeling technique, we render an LDI from a reference light sample on a planar light source. Light illumination of all pixels in an LDI is then determined for all the other sample points via warping, an image-based rendering technique, which approximates ray tracing in our method. We use an image-warping equation and McMillan's warp ordering algorithm to find the intersections between rays and polygons and to find the order of intersections. Experiments for opaque and nonrefractive transparent objects are presented. Results indicate our approach generates soft shadows fast and effectively. Advantages and disadvantages of the proposed method are also discussed.

Absolute flatness measurements of silicon mirrors by a three-intersection method by near-infrared interferometry

PubMed Central

2013-01-01

Absolute flatness of three silicon plane mirrors have been measured by a three-intersection method based on the three-flat method using a near-infrared interferometer. The interferometer was constructed using a near-infrared laser diode with a 1,310-nm wavelength light where the silicon plane mirror is transparent. The height differences at the coordinate values between the absolute line profiles by the three-intersection method have been evaluated. The height differences of the three flats were 4.5 nm or less. The three-intersection method using the near-infrared interferometer was useful for measuring the absolute flatness of the silicon plane mirrors. PMID:23758916

Long-Range Emergency Preemption of Traffic Lights

NASA Technical Reports Server (NTRS)

Bachelder, Aaron

2005-01-01

A forwarding system could prove beneficial as an addition to an electronic communication-and-control system that automatically modifies the switching of traffic lights to give priority to emergency vehicles. A system to which the forwarding system could be added could be any of a variety of emergency traffic-signal-preemption systems: these include systems now used in some municipalities as well as advanced developmental systems described in several NASA Tech Briefs articles in recent years. Because of a variety of physical and design limitations, emergency traffic-signal- preemption systems now in use are often limited in range to only one intersection at a time: in a typical system, only the next, closest intersection is preempted for an emergency vehicle. Simulations of gridlock have shown that such systems offer minimal advantages and can even cause additional delays. In analogy to what happens in fluid dynamics, the forwarding system insures that flow at a given location is sustained by guaranteeing downstream flow along the predicted route (typically a main artery) and intersecting routes (typically, side streets). In simplest terms, the forwarding system starts by taking note of any preemption issued by the preemption system to which it has been added. The forwarding system predicts which other intersections could be encountered by the emergency vehicle downstream of the newly preempted intersection. The system then forwards preemption triggers to those intersections. Beyond affording a right of way for the emergency vehicle at every intersection that lies ahead along any likely route from the current position of the vehicle, the forwarding system also affords the benefit of clearing congested roads far ahead of the vehicle. In a metropolitan environment with heavy road traffic, forwarding of preemption triggers could greatly enhance the performance of a pre-existing preemption system.

Influential factors of red-light running at signalized intersection and prediction using a rare events logistic regression model.

PubMed

Ren, Yilong; Wang, Yunpeng; Wu, Xinkai; Yu, Guizhen; Ding, Chuan

2016-10-01

Red light running (RLR) has become a major safety concern at signalized intersection. To prevent RLR related crashes, it is critical to identify the factors that significantly impact the drivers' behaviors of RLR, and to predict potential RLR in real time. In this research, 9-month's RLR events extracted from high-resolution traffic data collected by loop detectors from three signalized intersections were applied to identify the factors that significantly affect RLR behaviors. The data analysis indicated that occupancy time, time gap, used yellow time, time left to yellow start, whether the preceding vehicle runs through the intersection during yellow, and whether there is a vehicle passing through the intersection on the adjacent lane were significantly factors for RLR behaviors. Furthermore, due to the rare events nature of RLR, a modified rare events logistic regression model was developed for RLR prediction. The rare events logistic regression method has been applied in many fields for rare events studies and shows impressive performance, but so far none of previous research has applied this method to study RLR. The results showed that the rare events logistic regression model performed significantly better than the standard logistic regression model. More importantly, the proposed RLR prediction method is purely based on loop detector data collected from a single advance loop detector located 400 feet away from stop-bar. This brings great potential for future field applications of the proposed method since loops have been widely implemented in many intersections and can collect data in real time. This research is expected to contribute to the improvement of intersection safety significantly. Copyright © 2016 Elsevier Ltd. All rights reserved.

Liquid lens enabling real-time focus and tilt compensation for optical image stabilization in camera modules

NASA Astrophysics Data System (ADS)

Simon, Eric; Craen, Pierre; Gaton, Hilario; Jacques-Sermet, Olivier; Laune, Frédéric; Legrand, Julien; Maillard, Mathieu; Tallaron, Nicolas; Verplanck, Nicolas; Berge, Bruno

2010-05-01

A new generation of liquid lenses based on electrowetting has been developed, using a multi-electrode design, enabling to induce optical tilt and focus corrections in the same component. The basic principle is to rely on a conical shape for supporting the liquid interface, the conical shape insuring a restoring force for the liquid liquid interface to come at the center position. The multi-electrode design enables to induce an average tilt of the liquid liquid interface when a bias voltage is applied to the different electrodes. This tilt is reversible, vanishing when voltage bias is cancelled. Possible application of this new lens component is the realization of miniature camera featuring auto-focus and optical image stabilization (OIS) without any mobile mechanical part. Experimental measurements of actual performances of liquid lens component will be presented : focus and tilt amplitude, residual optical wave front error and response time.

Atomic layer deposition modified track-etched conical nanochannels for protein sensing.

PubMed

Wang, Ceming; Fu, Qibin; Wang, Xinwei; Kong, Delin; Sheng, Qian; Wang, Yugang; Chen, Qiang; Xue, Jianming

2015-08-18

Nanopore-based devices have recently become popular tools to detect biomolecules at the single-molecule level. Unlike the long-chain nucleic acids, protein molecules are still quite challenging to detect, since the protein molecules are much smaller in size and usually travel too fast through the nanopore with poor signal-to-noise ratio of the induced transport signals. In this work, we demonstrate a new type of nanopore device based on atomic layer deposition (ALD) Al2O3 modified track-etched conical nanochannels for protein sensing. These devices show very promising properties of high protein (bovine serum albumin) capture rate with well time-resolved transport signals and excellent signal-to-noise ratio for the transport events. Also, a special mechanism involving transient process of ion redistribution inside the nanochannel is proposed to explain the unusual biphasic waveshapes of the current change induced by the protein transport.

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

Krasnenko, V.; Boltrushko, V.; Hizhnyakov, V.

Chemically bound states of benzene molecules with graphene are studied both analytically and numerically. The states are formed by switching off intrabonds of π-electrons in C{sub 6} rings to interbonds. A number of different undistorted and distorted structures are established both with aligned and with transversal mutual orientation of benzene and graphene. The vibronic interactions causing distortions of bound states are found, by using a combination of analytical and numerical considerations. This allows one to determine all electronic transitions of π-electrons without explicit numerical calculations of excited states, to find the conical intersections of potentials, and to show that themore » mechanism of distortions is the pseudo-Jahn-Teller effect. It is found that the aligned distorted benzene molecule placed between two graphene sheets makes a chemical bond with both of them, which may be used for fastening of graphene sheets together.« less

The Efficiency of Small Bearings in Instruments of the Type Used in Aircraft

NASA Technical Reports Server (NTRS)

Norton, F H

1921-01-01

This report deals with the construction and properties of bearings and pivots for use in instruments. The static and running friction for both thrust and radial loads was determined for a number of conical pivots and cylindrical and ball bearings. The static rocking friction was also measured for several conical and ball bearings under a heavy load, especially to determine their suitability for use in N. P. L. (National Physical Laboratory) type wind tunnel balance. In constructing conical pivots and sockets it was found that the pivots should be hardened and highly polished, preferably with a revolving lap, and that the sockets should be made by punching with a hardened and polished punch. It was found that for a light load the conical pivots give less friction than any other type, and their wearing qualities when hardened are excellent. Very small ball bearings are unsatisfactory because the proportional accuracy of the balls and races is not high enough to insure smooth running. For rocking pivots under heavy loads it was found that a ball-and-socket bearing, consisting of a hemispherical socket and a sphere of smaller diameter concentric with it, with a row of small balls resting between the two, was superior to a pivot resting in a socket. It was found that vibration such as occurs in an airplane will greatly reduce the static friction of a pivot or bearing, in some cases to as little as one-twentieth of its static value.

Optical anisotropy induced by torsion stresses in LiNbO3 crystals: appearance of an optical vortex.

PubMed

Skab, Ihor; Vasylkiv, Yurij; Savaryn, Viktoriya; Vlokh, Rostyslav

2011-04-01

We report the results of studies of the torsion effect on the optical birefringence in LiNbO(3) crystals. We found that the twisting of those crystals causes a birefringence distribution revealing nontrivial peculiarities. In particular, they have a special point at the center of the cross section perpendicular to the torsion axis where the zero birefringence value occurs. It has also been ascertained that the surface of the spatial birefringence distribution has a conical shape, with the cone axis coinciding with the torsion axis. We revealed that an optical vortex, with a topological charge equal to unity, appears under the torsion of LiNbO(3) crystals. It has been shown that, in contrast to the q plate, both the efficiency of spin-orbital coupling and the orbital momentum of the emergent light can be operated by the torque moment. © 2011 Optical Society of America

Finding Equations of Tangents to Conics

ERIC Educational Resources Information Center

Baloglou, George; Helfgott, Michel

2004-01-01

A calculus-free approach is offered for determining the equation of lines tangent to conics. Four types of problems are discussed: line tangent to a conic at a given point, line tangent to a conic passing through a given point outside the conic, line of a given slope tangent to a conic, and line tangent to two conics simultaneously; in each case,…

High-mast light poles anchor nut loosening in Alaska : an investigation of field monitoring and finite-element analysis.

DOT National Transportation Integrated Search

2014-09-01

High mast lighting poles (HMLPs) are tall, roadside structures effective for lighting large areas of highways and intersections. The Alaska Department of Transportation : and Public Facilities (AKDOT&PF) maintains 118 such poles in the greater Anchor...

Signal treatments to reduce heavy vehicle crash-risk at metropolitan highway intersections.

PubMed

Archer, Jeffery; Young, William

2009-05-01

Heavy vehicle red-light running at intersections is a common safety problem that has severe consequences. This paper investigates alternative signal treatments that address this issue. A micro-simulation analysis approach was adopted as a precursor to a field trial. The simulation model emulated traffic conditions at a known problem intersection and provided a baseline measure to compare the effects of: an extension of amber time; an extension of green for heavy vehicles detected in the dilemma zone at the onset of amber; an extension of the all-red safety-clearance time based on the detection of vehicles considered likely to run the red light at two detector locations during amber; an extension of the all-red safety-clearance time based on the detection of potential red-light runners during amber or red; and a combination of the second and fourth alternatives. Results suggested safety improvements for all treatments. An extension of amber provided the best safety effect but is known to be prone to behavioural adaptation effects and wastes traffic movement time unnecessarily. A green extension for heavy vehicles detected in the dilemma zone and an all-red extension for potential red-light runners were deemed to provide a sustainable safety improvement and operational efficiency.

Is the Yellow Light Long Enough?

ERIC Educational Resources Information Center

Salow, Robert; And Others

1993-01-01

Describes an activity to determine whether the length of the yellow (warning) signal of a traffic light provides adequate time to stop or pass through the intersection. Discusses the necessary equations, mathematics, and subsequent graphs. (MVL)

Increasing motorist compliance and caution at stop signs.

PubMed Central

Van Houten, R; Retting, R A

2001-01-01

This study evaluated strategies to improve motorist compliance and caution at three stop-sign-controlled intersections with a history of motor vehicle crashes. The primary intervention was a light-emitting diode (LED) sign that featured animated eyes scanning left and right to prompt drivers to look left and right for approaching traffic. Data were scored from videotape on the percentage of drivers coming to a complete stop and the percentage of drivers looking right before entering the intersection. Observational data were collected on the percentage of right-angle conflicts (defined as braking suddenly or swerving from the path to avoid an intersection crash). The introduction of the LED sign according to a multiple baseline across the three intersections was associated with an increase in the percentage of vehicles coming to a complete stop at all three intersections and a small increase in the percentage of drivers looking right before entering the intersections. Conflicts between vehicles on the major and minor road were also reduced following the introduction of the animated eyes prompt. PMID:11421311

Conical structures for highly efficient solar cell applications

NASA Astrophysics Data System (ADS)

Korany, Fatma M. H.; Hameed, Mohamed Farhat O.; Hussein, Mohamed; Mubarak, Roaa; Eladawy, Mohamed I.; Obayya, Salah Sabry A.

2018-01-01

Improving solar cell efficiency is a critical research topic. Nowadays, light trapping techniques are a promising way to enhance solar cell performance. A modified nanocone nanowire (NW) is proposed and analyzed for solar cell applications. The suggested NW consists of conical and truncated conical units. The geometrical parameters are studied using a three-dimensional (3-D) finite difference time-domain (FDTD) method to achieve broadband absorption through the reported design and maximize its ultimate efficiency. The analyzed parameters are absorption spectra, ultimate efficiency, and short circuit current density. The numerical results prove that the proposed structure is superior compared with cone, truncated cone, and cylindrical NWs. The reported design achieves an ultimate efficiency of 44.21% with substrate and back reflector. Further, short circuit current density of 36.17 mA / cm2 is achieved by the suggested NW. The electrical performance analysis of the proposed structure including doping concentration, junction thickness, and Shockley-Read-Hall recombination is also investigated. The electrical simulations show that a power conversion efficiency of 17.21% can be achieved using the proposed NW. The modified nanocone has advantages of broadband absorption enhancement, low cost, and fabrication feasibility.

Evaluation of blue confirmation lights at signalized intersections in Overland Park, Kansas, to reduce red light running violations.

DOT National Transportation Integrated Search

2015-10-01

Red Light Running (RLR) is a safety concern for communities nationwide. The Federal Highway : Administration (FHWA) reported that a total of 676 fatalities in 2009 were due to RLR. There are many : strategies to mitigate RLR violations that fall in t...

Investigation of anchor nut loosening in high-mast light poles using field monitoring and finite element analysis.

DOT National Transportation Integrated Search

2014-09-01

High mast lighting poles (HMLPs) are cost effective structures for lighting highways and intersections. They are 100 to 250 feet (30m to 76m) tall, and can hold a variety of lamp configurations. They are : commonly used at highway interchanges becaus...

A conceptual framework for dynamic extension of the red clearance interval as a countermeasure for red-light-running.

PubMed

Gates, Timothy J; Noyce, David A

2016-11-01

This manuscript describes the development and evaluation of a conceptual framework for real-time operation of dynamic on-demand extension of the red clearance interval as a countermeasure for red-light-running. The framework includes a decision process for determining, based on the real-time status of vehicles arriving at the intersection, when extension of the red clearance interval should occur and the duration of each extension. A zonal classification scheme was devised to assess whether an approaching vehicle requires additional time to safely clear the intersection based on the remaining phase time, type of vehicle, current speed, and current distance from the intersection. Expected performance of the conceptual framework was evaluated through modeling of replicated field operations using vehicular event data collected as part of this research. The results showed highly accurate classification of red-light-running vehicles needing additional clearance time and relatively few false extension calls from stopping vehicles, thereby minimizing the expected impacts to signal and traffic operations. Based on the recommended parameters, extension calls were predicted to occur once every 26.5cycles. Assuming a 90scycle, 1.5 extensions per hour were expected per approach, with an estimated extension time of 2.30s/h. Although field implementation was not performed, it is anticipated that long-term reductions in targeted red-light-running conflicts and crashes will likely occur if red clearance interval extension systems are implemented at locations where start-up delay on the conflicting approach is generally minimal, such as intersections with lag left-turn phasing. Copyright © 2015 Elsevier Ltd. All rights reserved.

Field-effect Flow Control in Polymer Microchannel Networks

NASA Technical Reports Server (NTRS)

Sniadecki, Nathan; Lee, Cheng S.; Beamesderfer, Mike; DeVoe, Don L.

2003-01-01

A new Bio-MEMS electroosmotic flow (EOF) modulator for plastic microchannel networks has been developed. The EOF modulator uses field-effect flow control (FEFC) to adjust the zeta potential at the Parylene C microchannel wall. By setting a differential EOF pumping rate in two of the three microchannels at a T-intersection with EOF modulators, the induced pressure at the intersection generated pumping in the third, field-free microchannel. The EOF modulators are able to change the magnitude and direction of the pressure pumping by inducing either a negative or positive pressure at the intersection. The flow velocity is tracked by neutralized fluorescent microbeads in the microchannels. The proof-of-concept of the EOF modulator described here may be applied to complex plastic ,microchannel networks where individual microchannel flow rates are addressable by localized induced-pressure pumping.

27 CFR 9.103 - Mimbres Valley.

Code of Federal Regulations, 2014 CFR

2014-04-01

..., T16S/R11W; (4) It then goes south on the Mimbres River for .25 mile until it intersects the 6,000 foot... it goes west on the section line for approximately .6 mile to a light duty road located 500 feet... miles until it intersects the 4,200 foot elevation contour line at the southeast corner of Sec. 34, T25S...

Safety effects of exclusive and concurrent signal phasing for pedestrian crossing.

PubMed

Zhang, Yaohua; Mamun, Sha A; Ivan, John N; Ravishanker, Nalini; Haque, Khademul

2015-10-01

This paper describes the estimation of pedestrian crash count and vehicle interaction severity prediction models for a sample of signalized intersections in Connecticut with either concurrent or exclusive pedestrian phasing. With concurrent phasing, pedestrians cross at the same time as motor vehicle traffic in the same direction receives a green phase, while with exclusive phasing, pedestrians cross during their own phase when all motor vehicle traffic on all approaches is stopped. Pedestrians crossing at each intersection were observed and classified according to the severity of interactions with motor vehicles. Observation intersections were selected to represent both types of signal phasing while controlling for other physical characteristics. In the nonlinear mixed models for interaction severity, pedestrians crossing on the walk signal at an exclusive signal experienced lower interaction severity compared to those crossing on the green light with concurrent phasing; however, pedestrians crossing on a green light where an exclusive phase was available experienced higher interaction severity. Intersections with concurrent phasing have fewer total pedestrian crashes than those with exclusive phasing but more crashes at higher severity levels. It is recommended that exclusive pedestrian phasing only be used at locations where pedestrians are more likely to comply. Copyright © 2015. Published by Elsevier Ltd.

Safety impacts of red light cameras at signalized intersections based on cellular automata models.

PubMed

Chai, C; Wong, Y D; Lum, K M

2015-01-01

This study applies a simulation technique to evaluate the hypothesis that red light cameras (RLCs) exert important effects on accident risks. Conflict occurrences are generated by simulation and compared at intersections with and without RLCs to assess the impact of RLCs on several conflict types under various traffic conditions. Conflict occurrences are generated through simulating vehicular interactions based on an improved cellular automata (CA) model. The CA model is calibrated and validated against field observations at approaches with and without RLCs. Simulation experiments are conducted for RLC and non-RLC intersections with different geometric layouts and traffic demands to generate conflict occurrences that are analyzed to evaluate the hypothesis that RLCs exert important effects on road safety. The comparison of simulated conflict occurrences show favorable safety impacts of RLCs on crossing conflicts and unfavorable impacts for rear-end conflicts during red/amber phases. Corroborative results are found from broad analysis of accident occurrence. RLCs are found to have a mixed effect on accident risk at signalized intersections: crossing collisions are reduced, whereas rear-end collisions may increase. The specially developed CA model is found to be a feasible safety assessment tool.

The Benefit Impact of Air Pollution Reduction Through ATCS Implementation at Intersections

NASA Astrophysics Data System (ADS)

Budihardjo, Mochamad Arief; Huboyo, Haryono Setiyo; Samadikun, Budi Prasetyo

2018-02-01

The field study in five intersections that had ATCS, such as Krapyak, Tugu Muda, Polda, Bangkong and Fatmawati were done to investigate the effectivity of air pollution reduction. The study was done by estimating the differences between the vehicle speed due to the cycle duration of green light by field observation and video recording in each intersection. In five intersections that had been observed, the percentage of fuel consumption savings for two-wheeled vehicles were between 15 - 18%, meanwhile for four-wheel vehicles were between 30 - 46%. Based on the calculation that adopt the emission factor from CORINAIR and USEPA emission, the emission reduction based on pollutant types were TSP (12-17%), NOx (22-36%), CO (15-25%), HC (16-28%) and SO2 (22-35%). The result to the vehicles' speed that passed the intersections through ATCS has also indicated that the ATCS could increase vehicle speed and consequently reduce the emission.

Association of Selected Intersection Factors with Red-Light-Running Crashes

DOT National Transportation Integrated Search

2000-05-01

Red-Light-Running (RLR) crashes represent a significant safety problem that warrants attention. It can be hypothesized that the majority of these crashes result from inadvertent driver error or intentional violation. However, very little is known abo...

Use of automated enforcement for red light violations

DOT National Transportation Integrated Search

1997-08-01

The use of automated enforcement systems offers the potential to decrease the number of red light violations and improve the safety of intersections. Included in this report are an evaluation of the operating conditions where automated enforcement wa...

Stability of a Light Sail Riding on a Laser Beam

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

Manchester, Zachary; Loeb, Abraham, E-mail: zmanchester@seas.harvard.edu

2017-03-10

The stability of a light sail riding on a laser beam is analyzed both analytically and numerically. Conical sails on Gaussian beams, which have been studied in the past, are shown to be unstable without active control or additional mechanical modifications. A new architecture for a passively stable sail-and-beam configuration is proposed. The novel spherical shell design for the sail is capable of “beam riding” without the need for active feedback control. Full three-dimensional ray-tracing simulations are performed to verify our analytical results.

Cyclists' red-light running behaviours: an examination of risk-taking, opportunistic, and law-obeying behaviours.

PubMed

Pai, Chih-Wei; Jou, Rong-Chang

2014-01-01

Literature has suggested that bicyclists' red-light violations (RLVs) tend not to cause accidents although RLV is a frequent and typical bicyclist's behaviour. High association between bicyclist RLVs and accidents were, however, revealed in Taiwan. The current research explores bicyclists' RLVs by classifying crossing behaviours into three distinct manners: risk-taking, opportunistic, and law-obeying. Other variables, as well as bicyclists' crossing behaviours, were captured through the use of video cameras that were installed at selected intersections in Taoyuan County, Taiwan. Considering the unobserved heterogeneity, this research develops a mixed logit model of bicyclists' three distinct crossing behaviours. Several variables (pupils in uniform, speed limit with 60km/h) appear to have heterogeneous effects, lending support to the use of mixed logit models in bicyclist RLV research. Several factors were found to significantly increase the likelihood of bicyclists' risky behaviours, most notably: intersections with short red-light duration, T/Y intersections, when riders were pupils in uniform, when riders were riding electric bicycles, when riders were unhelmeted. Implications of the research findings, and the concluding remarks, are finally provided. Copyright © 2013 Elsevier Ltd. All rights reserved.

Elastic deformation of helical-conical boron nitride nanotubes

NASA Astrophysics Data System (ADS)

Xu, F. F.; Bando, Y.; Golberg, D.; Ma, R. Z.; Li, Y. B.; Tang, C. C.

2003-08-01

Boron nitride nanotubes with hollow conical-helix geometry have exhibited striking flexibility and elasticity comparable to metals. During an electron-beam induced deformation at room temperature, the nanotubes can be bent by a maximum angle as high as 180° and then retrieve the starting morphology without any evidence of structural failure. The outstanding low-temperature elasticity in this nano-material is interpreted by a theoretical model, displaying deformation processes dominated by slide of filaments along with changes in apex angles stepwise. The specific tubular geometry is believed to take advantages of both high stiffness and extraordinary flexibility of BN filaments, and easiness of interlayer slide in graphitic structure, hence leading to high resistance to fracture.

Electrically controlled crossing of energy levels in quantum dots in two-dimensional topological insulators

NASA Astrophysics Data System (ADS)

Sukhanov, Aleksei A.

2017-05-01

We study the energy spectra of bound states in quantum dots (QDs) formed by an electrostatic potential in two-dimensional topological insulator (TI) and their transformation with changes in QD depth and radius. It is found that, unlike a trivial insulator, the energy difference between the levels of the ground state and first excited state can decrease with decreasing the radius and increasing the depth of the QD so that these levels intersect under some critical condition. The crossing of the levels results in unusual features of optical properties caused by intraceneter electron transitions. In particular, it leads to significant changes of light absorption due to electron transitions between such levels and to the transient electroluminescence induced by electrical tuning of QD and TI parameters. In the case of magnetic TIs, the polarization direction of the absorbed or emitted circularly polarized light is changed due to the level crossing.

Game theory model of traffic participants within amber time at signalized intersection.

PubMed

Qi, Weiwei; Wen, Huiying; Fu, Chuanyun; Song, Mo

2014-01-01

The traffic light scheme is composed of red, green, and amber lights, and it has been defined clearly for the traffic access of red and green lights; however, the definition of that for the amber light is indistinct, which leads to the appearance of uncertainty factors and serious traffic conflicts during the amber light. At present, the traffic administrations are faced with the decision of whether to forbid passing or not during the amber light in the cities of China. On one hand, it will go against the purpose of setting amber lights if forbidding passing; on the other hand, it may lead to a mess of traffic flow running if not. And meanwhile the drivers are faced with the decision of passing the intersection or stopping during the amber light as well. So the decision-making behavior of traffic administrations and drivers can be converted into a double game model. And through quantification of their earnings in different choice conditions, the optimum decision-making plan under specific conditions could be solved via the Nash equilibrium solution concept. Thus the results will provide a basis for the formulation of the traffic management strategy.

Game Theory Model of Traffic Participants within Amber Time at Signalized Intersection

PubMed Central

Qi, Weiwei; Wen, Huiying; Fu, Chuanyun; Song, Mo

2014-01-01

The traffic light scheme is composed of red, green, and amber lights, and it has been defined clearly for the traffic access of red and green lights; however, the definition of that for the amber light is indistinct, which leads to the appearance of uncertainty factors and serious traffic conflicts during the amber light. At present, the traffic administrations are faced with the decision of whether to forbid passing or not during the amber light in the cities of China. On one hand, it will go against the purpose of setting amber lights if forbidding passing; on the other hand, it may lead to a mess of traffic flow running if not. And meanwhile the drivers are faced with the decision of passing the intersection or stopping during the amber light as well. So the decision-making behavior of traffic administrations and drivers can be converted into a double game model. And through quantification of their earnings in different choice conditions, the optimum decision-making plan under specific conditions could be solved via the Nash equilibrium solution concept. Thus the results will provide a basis for the formulation of the traffic management strategy. PMID:25580108

Conical Refraction Bottle Beams for Entrapment of Absorbing Droplets.

PubMed

Esseling, Michael; Alpmann, Christina; Schnelle, Jens; Meissner, Robert; Denz, Cornelia

2018-03-22

Conical refraction (CR) optical bottle beams for photophoretic trapping of airborne absorbing droplets are introduced and experimentally demonstrated. CR describes the circular split-up of unpolarised light propagating along an optical axis in a biaxial crystal. The diverging and converging cones lend themselves to the construction of optical bottle beams with flexible entry points. The interaction of single inkjet droplets with an open or partly open bottle beam is shown implementing high-speed video microscopy in a dual-view configuration. Perpendicular image planes are visualized on a single camera chip to characterize the integral three-dimensional movement dynamics of droplets. We demonstrate how a partly opened optical bottle transversely confines liquid objects. Furthermore we observe and analyse transverse oscillations of absorbing droplets as they hit the inner walls and simultaneously measure both transverse and axial velocity components.

Evaluation of blue confirmation lights at signalized intersections in Overland Park, Kansas, to reduce red light running violations : [technical summary].

DOT National Transportation Integrated Search

2015-10-01

Red Light Running (RLR) is a safety concern for communities nationwide. The : Federal Highway Administration (FHWA) reported that a total of 676 fatalities : in 2009 were due to RLR. There are many strategies to mitigate RLR violations : that fall in...

Spillover Effect and Economic Effect of Red Light Cameras

DOT National Transportation Integrated Search

2017-04-01

"Spillover effect" of red light cameras (RLCs) refers to the expected safety improvement at intersections other than those actually treated. Such effects may be due to jurisdiction-wide publicity of RLCs and the general publics lack of knowledge o...

14 CFR 23.1395 - Maximum intensities in overlapping beams of position lights.

Code of Federal Regulations, 2010 CFR

2010-01-01

... boundary plane at more than 10 degrees but less than 20 degrees; and (b) Area B includes all directions in the adjacent dihedral angle that pass through the light source and intersect the common boundary plane...

Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure

NASA Astrophysics Data System (ADS)

Joubert-Doriol, Loïc; Izmaylov, Artur F.

2018-03-01

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.

Theoretical study of the initial non-radiative 1 Bu → 2 Ag transition in the fluorescence quenching of s-trans-butadiene: Electronic structure methods and quantum dynamics

NASA Astrophysics Data System (ADS)

Komainda, A.; Lefrancois, D.; Dreuw, A.; Köppel, H.

2017-01-01

The photodynamics of s-trans-butadiene in the 6 eV excitation energy range is investigated by ab initio quantum dynamical methods, paying particular attention to the nonadiabatic coupling between the 1Bu and 2Ag singlet excited states. The existence of a conical intersection between their potential energy surfaces is confirmed. Key parameters of the system, like the energy gap between the interacting states and their coupling strength, are critically assessed. Up to eight nuclear degrees of freedom are considered in the dynamical treatment and are shown to lead to a more realistic description of the interactions. The gas phase (jet) UV absorption spectrum is well reproduced. The related ultrafast nonradiative population transfer from 1Bu to 2Ag is the initial processes leading to fluorescence quenching of trans-butadiene.

Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion

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

Zhao, Li, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; Gao, Ai-Hua, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; University of the Chinese Academy of Sciences, Beijing 100049

2014-12-21

On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion. The abovementioned factors bring the molecule to themore » vicinity of conical intersections on its potential energy surface and to finish the internal conversion process. A Hula-like twisting pattern is displayed during the relaxation process and the entire decay process disfavors a photoswitching pattern which corresponds to cis-trans photoisomerization.« less

The molecular mechanism of thermal noise in rod photoreceptors.

PubMed

Gozem, Samer; Schapiro, Igor; Ferré, Nicolas; Olivucci, Massimo

2012-09-07

Spontaneous electrical signals in the retina's photoreceptors impose a limit on visual sensitivity. Their origin is attributed to a thermal, rather than photochemical, activation of the transduction cascade. Although the mechanism of such a process is under debate, the observation of a relationship between the maximum absorption wavelength (λ(max)) and the thermal activation kinetic constant (k) of different visual pigments (the Barlow correlation) indicates that the thermal and photochemical activations are related. Here we show that a quantum chemical model of the bovine rod pigment provides a molecular-level understanding of the Barlow correlation. The transition state mediating thermal activation has the same electronic structure as the photoreceptor excited state, thus creating a direct link between λ(max) and k. Such a link appears to be the manifestation of intrinsic chromophore features associated with the existence of a conical intersection between its ground and excited states.

Flow-field surveys on the windward side of the NASA 040A space shuttle orbiter at 31 deg angle of attack and Mach 20 in helium

NASA Technical Reports Server (NTRS)

Ashby, G. C., Jr.; Helms, V. T., III

1977-01-01

Pitot pressure and flow angle distributions in the windward flow field of the NASA 040A space shuttle orbiter configuration and surface pressures were measured, at a Mach number of 20 and an angle of attack of 31 deg. The free stream Reynolds number, based on model length, was 5.39 x 10 to the 6th power. Results show that cores of high pitot pressure, which are related to the body-shock-wing-shock intersections, occur on the windward plane of symmetry in the vicinity of the wing-body junction and near midspan on the wing. Theoretical estimates of the flow field pitot pressures show that conical flow values for the windward plane of symmetry surface are representative of the average level over the entire lower surface.

Communication: Multiple-property-based diabatization for open-shell van der Waals molecules

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

Karman, Tijs; Avoird, Ad van der; Groenenboom, Gerrit C., E-mail: gerritg@theochem.ru.nl

2016-03-28

We derive a new multiple-property-based diabatization algorithm. The transformation between adiabatic and diabatic representations is determined by requiring a set of properties in both representations to be related by a similarity transformation. This set of properties is determined in the adiabatic representation by rigorous electronic structure calculations. In the diabatic representation, the same properties are determined using model diabatic states defined as products of undistorted monomer wave functions. This diabatic model is generally applicable to van der Waals molecules in arbitrary electronic states. Application to locating seams of conical intersections and collisional transfer of electronic excitation energy is demonstrated formore » O{sub 2} − O{sub 2} in low-lying excited states. Property-based diabatization for this test system included all components of the electric quadrupole tensor, orbital angular momentum, and spin-orbit coupling.« less

Optical Control of Internal Conversion in Pyrazine

NASA Astrophysics Data System (ADS)

Barry, Grant; Singha, Sima; Hu, Zhan; Seideman, Tamar; Gordon, Robert

2014-03-01

We apply quantum control schemes previously reserved for atoms and small molecules to more complex polyatomic molecules. Pyrazine was chosen as a model polyatomic molecule for its well-studied conical intersection seam between the S1 and S2 potential energy surfaces (PESs). Using shaped ultraviolet femtosecond laser pulses, we demonstrate optical control of the excited state dynamics of this molecule under collisionless conditions. This was achieved in a pump-probe experiment by employing a genetic algorithm programmed to suppress ionization of the pyrazine molecules at a preselected time. Our findings indicate that the optimized pulses localize the wave packet for times up to 1.5 ps at a location on the coupled S1/S2 PESs where ionization is energetically forbidden. Our approach is general and does not require knowledge of the molecular Hamiltonian. Funding provided by National Science Foundation grant no. CHE-0848198.

Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units.

PubMed

Fales, B Scott; Levine, Benjamin G

2015-10-13

Methods based on a full configuration interaction (FCI) expansion in an active space of orbitals are widely used for modeling chemical phenomena such as bond breaking, multiply excited states, and conical intersections in small-to-medium-sized molecules, but these phenomena occur in systems of all sizes. To scale such calculations up to the nanoscale, we have developed an implementation of FCI in which electron repulsion integral transformation and several of the more expensive steps in σ vector formation are performed on graphical processing unit (GPU) hardware. When applied to a 1.7 × 1.4 × 1.4 nm silicon nanoparticle (Si72H64) described with the polarized, all-electron 6-31G** basis set, our implementation can solve for the ground state of the 16-active-electron/16-active-orbital CASCI Hamiltonian (more than 100,000,000 configurations) in 39 min on a single NVidia K40 GPU.

Surface hopping investigation of the relaxation dynamics in radical cations

DOE PAGES

Assmann, Mariana; Weinacht, Thomas; Matsika, Spiridoula

2016-01-19

Ionization processes can lead to the formation of radical cations with population in several ionic states. In this study, we examine the dynamics of three radical cations starting from an excited ionic state using trajectory surface hopping dynamics in combination with multiconfigurational electronic structure methods. The efficiency of relaxation to the ground state is examined in an effort to understand better whether fragmentation of cations is likely to occur directly on excited states or after relaxation to the ground state. The results on cyclohexadiene, hexatriene, and uracil indicate that relaxation to the ground ionic state is very fast in thesemore » systems, while fragmentation before relaxation is rare. Ultrafast relaxation is facilitated by the close proximity of electronic states and the presence of two- and three-state conical intersections. Furthermore, examining the properties of the systems in the Franck-Condon region can give some insight into the subsequent dynamics.« less

Evaluation and analysis of noise levels at traffic intersections of Nagpur city, India.

PubMed

Vijay, Ritesh; Popat, Rishabh; Pisode, Mayur; Sharma, Asheesh; Manoj, Kumar; Chakrabarti, T; Gupta, Rajesh

2013-04-01

The objective of the present study was to monitor and assess the noise levels at traffic intersections in Napgur city under heterogenic traffic activities. For this, traffic volume and noise level were measured at intersections on highways, major roads andring road during morning and evening peak hours. Traffic volume was categorized in light, medium and heavy vehicles while noise levels were measured for Lmin, Lmax, Leq , L10 and L90. Equivalent noise was observed in the range of 71.3 to 79.3 dB(A) at the traffic intersections. Due to heterogenic traffic conditions and activities at the intersection like honking, idling, gear noise, bearing noise, breaking noise, tyre-road noise and exhaust noise, no correlation was established between traffic volume and observed noise levels except West High Court road. A strong correlation was found at West High Court road due to controlled traffic flow and less impact of heavy vehicles. Impact of noisy vehicles on general traffic was also assessed at the traffic intersections based on noise pollution levels and traffic noise index. The study suggests that control measures are required at the traffic intersections to minimize noise pollution levels.

Light-trapping and recycling for extraordinary power conversion in ultra-thin gallium-arsenide solar cells.

PubMed

Eyderman, Sergey; John, Sajeev

2016-06-23

We demonstrate nearly 30% power conversion efficiency in ultra-thin (~200 nm) gallium arsenide photonic crystal solar cells by numerical solution of the coupled electromagnetic Maxwell and semiconductor drift-diffusion equations. Our architecture enables wave-interference-induced solar light trapping in the wavelength range from 300-865 nm, leading to absorption of almost 90% of incoming sunlight. Our optimized design for 200 nm equivalent bulk thickness of GaAs, is a square-lattice, slanted conical-pore photonic crystal (lattice constant 550 nm, pore diameter 600 nm, and pore depth 290 nm), passivated with AlGaAs, deposited on a silver back-reflector, with ITO upper contact and encapsulated with SiO2. Our model includes both radiative and non-radiative recombination of photo-generated charge carriers. When all light from radiative recombination is assumed to escape the structure, a maximum achievable photocurrent density (MAPD) of 27.6 mA/cm(2) is obtained from normally incident AM 1.5 sunlight. For a surface non-radiative recombination velocity of 10(3) cm/s, this corresponds to a solar power conversion efficiency of 28.3%. When all light from radiative recombination is trapped and reabsorbed (complete photon recycling) the power conversion efficiency increases to 29%. If the surface recombination velocity is reduced to 10 cm/sec, photon recycling is much more effective and the power conversion efficiency reaches 30.6%.

Light-trapping and recycling for extraordinary power conversion in ultra-thin gallium-arsenide solar cells

DOE PAGES

Eyderman, Sergey; John, Sajeev

2016-06-23

Here, we demonstrate nearly 30% power conversion efficiency in ultra-thin (~200 nm) gallium arsenide photonic crystal solar cells by numerical solution of the coupled electromagnetic Maxwell and semiconductor drift-diffusion equations. Our architecture enables wave-interference-induced solar light trapping in the wavelength range from 300-865 nm, leading to absorption of almost 90% of incoming sunlight. Our optimized design for 200 nm equivalent bulk thickness of GaAs, is a square-lattice, slanted conical-pore photonic crystal (lattice constant 550 nm, pore diameter 600 nm, and pore depth 290 nm), passivated with AlGaAs, deposited on a silver back-reflector, with ITO upper contact and encapsulated with SiOmore » 2. Our model includes both radiative and non-radiative recombination of photo-generated charge carriers. When all light from radiative recombination is assumed to escape the structure, a maximum achievable photocurrent density (MAPD) of 27.6 mA/cm 2 is obtained from normally incident AM 1.5 sunlight. For a surface non-radiative recombination velocity of 10 3 cm/s, this corresponds to a solar power conversion efficiency of 28.3%. When all light from radiative recombination is trapped and reabsorbed (complete photon recycling) the power conversion efficiency increases to 29%. If the surface recombination velocity is reduced to 10 cm/sec, photon recycling is much more effective and the power conversion efficiency reaches 30.6%.« less

Light-trapping and recycling for extraordinary power conversion in ultra-thin gallium-arsenide solar cells

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

Eyderman, Sergey; John, Sajeev

Here, we demonstrate nearly 30% power conversion efficiency in ultra-thin (~200 nm) gallium arsenide photonic crystal solar cells by numerical solution of the coupled electromagnetic Maxwell and semiconductor drift-diffusion equations. Our architecture enables wave-interference-induced solar light trapping in the wavelength range from 300-865 nm, leading to absorption of almost 90% of incoming sunlight. Our optimized design for 200 nm equivalent bulk thickness of GaAs, is a square-lattice, slanted conical-pore photonic crystal (lattice constant 550 nm, pore diameter 600 nm, and pore depth 290 nm), passivated with AlGaAs, deposited on a silver back-reflector, with ITO upper contact and encapsulated with SiOmore » 2. Our model includes both radiative and non-radiative recombination of photo-generated charge carriers. When all light from radiative recombination is assumed to escape the structure, a maximum achievable photocurrent density (MAPD) of 27.6 mA/cm 2 is obtained from normally incident AM 1.5 sunlight. For a surface non-radiative recombination velocity of 10 3 cm/s, this corresponds to a solar power conversion efficiency of 28.3%. When all light from radiative recombination is trapped and reabsorbed (complete photon recycling) the power conversion efficiency increases to 29%. If the surface recombination velocity is reduced to 10 cm/sec, photon recycling is much more effective and the power conversion efficiency reaches 30.6%.« less

Low-lying excited states by constrained DFT.

PubMed

Ramos, Pablo; Pavanello, Michele

2018-04-14

Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, N c , in the virtual space of a reference set of occupied orbitals. By imposing this population to be N c = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H 3 ) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

Two-Body Approximations in the Design of Low-Energy Transfers Between Galilean Moons

NASA Astrophysics Data System (ADS)

Fantino, Elena; Castelli, Roberto

Over the past two decades, the robotic exploration of the Solar System has reached the moons of the giant planets. In the case of Jupiter, a strong scientific interest towards its icy moons has motivated important space missions (e.g., ESAs' JUICE and NASA's Europa Mission). A major issue in this context is the design of efficient trajectories enabling satellite tours, i.e., visiting the several moons in succession. Concepts like the Petit Grand Tour and the Multi-Moon Orbiter have been developed to this purpose, and the literature on the subject is quite rich. The models adopted are the two-body problem (with the patched conics approximation and gravity assists) and the three-body problem (giving rise to the so-called low-energy transfers, LETs). In this contribution, we deal with the connection between two moons, Europa and Ganymede, and we investigate a two-body approximation of trajectories originating from the stable/unstable invariant manifolds of the two circular restricted three body problems, i.e., Jupiter-Ganymede and Jupiter-Europa. We develop ad-hoc algorithms to determine the intersections of the resulting elliptical arcs, and the magnitude of the maneuver at the intersections. We provide a means to perform very fast and accurate evaluations of the minimum-cost trajectories between the two moons. Eventually, we validate the methodology by comparison with numerical integrations in the three-body problem.

Fine-scale estimation of carbon monoxide and fine particulate matter concentrations in proximity to a road intersection by using wavelet neural network with genetic algorithm

NASA Astrophysics Data System (ADS)

Wang, Zhanyong; Lu, Feng; He, Hong-di; Lu, Qing-Chang; Wang, Dongsheng; Peng, Zhong-Ren

2015-03-01

At road intersections, vehicles frequently stop with idling engines during the red-light period and speed up rapidly in the green-light period, which generates higher velocity fluctuation and thus higher emission rates. Additionally, the frequent changes of wind direction further add the highly variable dispersion of pollutants at the street scale. It is, therefore, very difficult to estimate the distribution of pollutant concentrations using conventional deterministic causal models. For this reason, a hybrid model combining wavelet neural network and genetic algorithm (GA-WNN) is proposed for predicting 5-min series of carbon monoxide (CO) and fine particulate matter (PM2.5) concentrations in proximity to an intersection. The proposed model is examined based on the measured data under two situations. As the measured pollutant concentrations are found to be dependent on the distance to the intersection, the model is evaluated in three locations respectively, i.e. 110 m, 330 m and 500 m. Due to the different variation of pollutant concentrations on varied time, the model is also evaluated in peak and off-peak traffic time periods separately. Additionally, the proposed model, together with the back-propagation neural network (BPNN), is examined with the measured data in these situations. The proposed model is found to perform better in predictability and precision for both CO and PM2.5 than BPNN does, implying that the hybrid model can be an effective tool to improve the accuracy of estimating pollutants' distribution pattern at intersections. The outputs of these findings demonstrate the potential of the proposed model to be applicable to forecast the distribution pattern of air pollution in real-time in proximity to road intersection.

Investigating driving behaviour of older drivers with mild cognitive impairment using a portable driving simulator.

PubMed

Devlin, Anna; McGillivray, Jane; Charlton, Judith; Lowndes, Georgia; Etienne, Virginie

2012-11-01

While there is a large body of research indicating that individuals with moderate to severe dementia are unfit to drive, relatively little is known about the driving performance of older drivers with mild cognitive impairment (MCI). The aim of the current study was to examine the driving performance of older drivers with MCI on approach to intersections, and to investigate how their healthy counterparts perform on the same driving tasks using a portable driving simulator. Fourteen drivers with MCI and 14 age-matched healthy older drivers (aged 65-87 years) completed a 10-min simulator drive in an urban environment. The simulator drive consisted of stop-sign controlled and signal-controlled intersections. Drivers were required to stop at the stop-sign controlled intersections and to decide whether or not to proceed through a critical light change at the signal-controlled intersections. The specific performance measures included; approach speed, number of brake applications on approach to the intersection (either excessive or minimal), failure to comply with stop signs, and slower braking response times on approach to a critical light change. MCI patients in our sample performed more poorly than controls across a number of variables. However, because the trends failed to reach statistical significance it will be important to replicate the study using a larger sample to qualify whether the results can be generalised to the broader population. Copyright © 2012 Elsevier Ltd. All rights reserved.

Traffic signal safety : analysis of red-light running in Maine.

DOT National Transportation Integrated Search

2004-05-01

The aim of this report is to suggest how to make signalized intersections safer, in particular in respect to crashes caused by red-light violations. The report includes a review of literature, analysis of crashes, and interviews with Maine drivers. O...

14 CFR 27.1395 - Maximum intensities in overlapping beams of forward and rear position lights.

Code of Federal Regulations, 2010 CFR

2010-01-01

... boundary plane at more than 10 degrees but less than 20 degrees, and (b) Area B includes all directions in the adjacent dihedral angle that pass through the light source and intersect the common boundary plane...

14 CFR 25.1395 - Maximum intensities in overlapping beams of forward and rear position lights.

Code of Federal Regulations, 2010 CFR

2010-01-01

... boundary plane at more than 10 degrees but less than 20 degrees; and (b) Area B includes all directions in the adjacent dihedral angle that pass through the light source and intersect the common boundary plane...

14 CFR 29.1395 - Maximum intensities in overlapping beams of forward and rear position lights.

Code of Federal Regulations, 2010 CFR

2010-01-01

... boundary plane at more than 10 degrees but less than 20 degrees; and (b) Area B includes all directions in the adjacent dihedral angle that pass through the light source and intersect the common boundary plane...

Light, Molecules, Action: Broadband UV-visible transient absorption studies of excited state dynamics in photoactive molecules

NASA Astrophysics Data System (ADS)

Sension, Roseanne

2015-03-01

Broadband UV-visible transient absorption spectroscopy provides a powerful tool for the investigation of the dynamics of electronically excited molecules in the condensed phase. It is now possible to obtain transient spectra on a routine basis spanning the range from <300 nm to >800 nm with femtosecond time resolution. We have used this method to study the excited state dynamics and internal conversion of a range of molecular systems with potential application as optically powered molecular devices. The cyclohexadiene ring-opening reaction is the basis of a class of important optical switches and of the biological synthesis of previtamin D3. The ring-opening reaction is ultrafast, occurring on a picosecond to subpicosecond times scale depending on the substituents around the ring. These have a significant influence on the dynamics and electronic structure of the electronically excited molecule. The results of a series of transient absorption studies as a function of chromophore substitution and environment will be presented. The cis-trans isomerization of polyene molecules, especially substituted stilbenes, provides another important class of functional molecular transformations. Again the excited state dynamics can be ultrafast with photochemistry controlled by details of the curve crossings and conical intersections. Finally the photochemistry of the even more complex set of cobalamin chromophores with a photoalabile C-Co bond has been proposed as a tool for spatio-temporal control of molecule delivery including drug delivery. Broadband transient absorption spectroscopy has been used to investigate the ultrafast electronic dynamics of a range of cobalamin compounds with comparison to detailed theoretical calculations. The results of these studies will be presented.

InGaAsP/InP optical waveguide switch operated by a carrier-induced change in the refractive index

NASA Astrophysics Data System (ADS)

Mikami, O.; Nakagome, H.

1985-11-01

Waveguided semiconductor optical switches operated by a carrier-induced change in the refractive-index associated with the plasma dispersion are proposed. InGaAsP/InP four-port switches having two intersecting single-mode channel waveguides are fabricated by selective liquid-phase epitaxy and investigated at 1.5 microns wavelength. Optical switching is observed as a result of mode interference in the waveguide intersection region.

Conical islands of TiO2 nanotube arrays in the photoelectrode of dye-sensitized solar cells.

PubMed

Kim, Woong-Rae; Park, Hun; Choi, Won-Youl

2015-01-01

Ti conical island structures were fabricated using photolithography and the reactive ion etching method. The resulting conical island structures were anodized in ethylene glycol solution containing 0.25 wt% NH4F and 2 vol% H2O, and conical islands composed of TiO2 nanotubes were successfully formed on the Ti foils. The conical islands composed of TiO2 nanotubes were employed in photoelectrodes for dye-sensitized solar cells (DSCs). DSC photoelectrodes based on planar Ti structures covered with TiO2 nanotubes were also fabricated as a reference. The short-circuit current (J sc) and efficiency of DSCs based on the conical island structures were higher than those of the reference samples. The efficiency of DSCs based on the conical island structures reached up to 1.866%. From electrochemical impedance spectroscopy and open-circuit voltage (V oc) decay measurements, DSCs based on the conical island structures exhibited a lower charge transfer resistance at the counter cathode and a longer electron lifetime at the interface of the photoelectrode and electrolyte compared to the reference samples. The conical island structure was very effective at improving performances of DSCs based on TiO2 nanotubes. Graphical AbstractConical islands of TiO2 nanotube arrays are fabricated by an anodizing process with Ti protruding dots which have a conical shape. The conical islands are applied for use in DSC photoelectrodes. DSCs based on the conical islands of TiO2 nanotube arrays have the potential to achieve higher efficiency levels compared to DSCs based on normal TiO2 nanotubes and TiO2 nanoparticles because the conical islands of TiO2 nanotube arrays enlarge the surface area for dye adsorption.

Fatigue induced changes in conical implant-abutment connections.

PubMed

Blum, Kai; Wiest, Wolfram; Fella, Christian; Balles, Andreas; Dittmann, Jonas; Rack, Alexander; Maier, Dominik; Thomann, Ralf; Spies, Benedikt Christopher; Kohal, Ralf Joachim; Zabler, Simon; Nelson, Katja

2015-11-01

Based on the current lack of data and understanding of the wear behavior of dental two-piece implants, this study aims for evaluating the microgap formation and wear pattern of different implants in the course of cyclic loading. Several implant systems with different conical implant-abutment interfaces were purchased. The implants were first evaluated using synchrotron X-ray high-resolution radiography (SRX) and scanning electron microscopy (SEM). The implant-abutment assemblies were then subjected to cyclic loading at 98N and their microgap was evaluated after 100,000, 200,000 and 1 million cycles using SRX, synchrotron micro-tomography (μCT). Wear mechanisms of the implant-abutment connection (IAC) after 200,000 cycles and 1 million cycles were further characterized using SEM. All implants exhibit a microgap between the implant and abutment prior to loading. The gap size increased with cyclic loading with its changes being significantly higher within the first 200,000 cycles. Wear was seen in all implants regardless of their interface design. The wear pattern comprised adhesive wear and fretting. Wear behavior changed when a different mounting medium was used (brass vs. polymer). A micromotion of the abutment during cyclic loading can induce wear and wear particles in conical dental implant systems. This feature accompanied with the formation of a microgap at the IAC is highly relevant for the longevity of the implants. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

[Analysis of Cr in soil by LIBS based on conical spatial confinement of plasma].

PubMed

Lin, Yong-Zeng; Yao, Ming-Yin; Chen, Tian-Bing; Li, Wen-Bing; Zheng, Mei-Lan; Xu, Xue-Hong; Tu, Jian-Ping; Liu, Mu-Hua

2013-11-01

The present study is to improve the sensitivity of detection and reduce the limit of detection in detecting heavy metal of soil by laser induced breakdown spectroscopy (LIBS). The Cr element of national standard soil was regarded as the research object. In the experiment, a conical cavity with small diameter end of 20 mm and large diameter end of 45 mm respectively was installed below the focusing lens near the experiment sample to mainly confine the signal transmitted by plasma and to some extent to confine the plasma itself in the LIBS setup. In detecting Cr I 425.44 nm, the beast delay time gained from experiment is 1.3 micros, and the relative standard deviation is below 10%. Compared with the setup of non-spatial confinement, the spectral intensity of Cr in the soil sample was enhanced more than 7%. Calibration curve was established in the Cr concentration range from 60 to 400 microg x g(-1). Under the condition of spatial confinement, the liner regression coefficient and the limit of detection were 0.997 71 and 18.85 microg x g(-1) respectively, however, the regression coefficient and the limit of detection were 0.991 22 and 36.99 microg x g(-1) without spatial confinement. So, this shows that conical spatial confinement can/improve the sensitivity of detection and enhance the spectral intensity. And it is a good auxiliary function in detecting Cr in the soil by laser induced breakdown spectroscopy.

Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states

PubMed Central

Marggi Poullain, Sonia; Chicharro, David V.; Zanchet, Alexandre; González, Marta G.; Rubio-Lago, Luis; Senent, María L.; García-Vela, Alberto; Bañares, Luis

2016-01-01

The photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states have been studied using velocity map and slice ion imaging in combination with pump-probe nanosecond laser pulses. The reported translational energy and angular distributions of the H(2S) photofragment detected by (2+1) REMPI highlight different dissociation mechanisms for the 3s and 3pz Rydberg states. A narrow peak in the translational energy distribution and an anisotropic angular distribution characterizes the fast 3s photodissociation, while for the 3pz state Boltzmann-type translational energy and isotropic angular distributions are found. High level ab initio calculations have been performed in order to elucidate the photodissociation mechanisms from the two Rydberg states and to rationalize the experimental results. The calculated potential energy curves highlight a typical predissociation mechanism for the 3s state, characterized by the coupling between the 3s Rydberg state and a valence repulsive state. On the other hand, the photodissociation on the 3pz state is initiated by a predissociation process due to the coupling between the 3pz Rydberg state and a valence repulsive state and constrained, later on, by two conical intersections that allow the system to relax to lower electronic states. Such mechanism opens different reaction pathways leading to CH2 photofragments in different electronic states and inducing a transfer of energy between translational and internal modes. PMID:27296907

The Tasmantid Seamounts: A window into the structural inheritance of ocean floor fabric

NASA Astrophysics Data System (ADS)

Richards, F. D.; Kalnins, L. M.; Watts, A. B.; Cohen, B. E.; Beaman, R. J.

2015-12-01

The extinct Tasman Sea spreading centre, active from 84--53 Ma, is intersected at a number of locations by the Tasmantid Seamount Chain. The chain, which extends for over 2000 km off the east coast of Australia, progressively increases in age from south to north with ages ranging between 6 Ma and ˜50 Ma. While thick sediment (˜1 km) obscures much of the northern Tasman Sea basement, detailed morphological and geophysical analyses of the seamounts reveal a strong correlation between tectonic setting, seamount orientation, and volcanic structure, despite the ≥20 Ma offset between spreading cessation and initial seamount emplacement. Morphologically, structural inheritance is evidenced by the contrast between two volcanic styles: 1) the rugged, predominantly fissure-fed, fabrics characterizing seamounts emplaced at inside corners of spreading segment-transform intersections; and 2) the conical seamounts with summit craters and isolated dyke-fed flank cones that develop off-axis. Furthermore, volcanic fabrics align closely with the principal stress directions expected for a spreading ridge system in which strong mechanical coupling occurs across transform faults. This suggests that the lithosphere is dissected by numerous deep faults, allowing magma to be channelled away from the site of melting along pre-existing structural trends. The generally low effective elastic thickness, TeT_e, (≤15 km) and lack of a plate age-TeT_e relationship along the chain indicate that structural inheritance is also the major control on lithospheric strength near the extinct spreading centre. While the importance of structural inheritance in controlling magmatic behaviour is commonly acknowledged in continental settings, these results clearly demonstrate the need to also consider it in the oceanic realm.The extinct Tasman Sea spreading centre, active from 84--53 Ma, is intersected at a number of locations by the Tasmantid Seamount Chain. The chain, which extends for over 2000 km off the east coast of Australia, progressively increases in age from south to north with ages ranging between 6 Ma and ˜50 Ma. While thick sediment ( ˜1 km) obscures much of the northern Tasman Sea basement, detailed morphological and geophysical analyses of the seamounts reveal a strong correlation between tectonic setting, seamount orientation, and volcanic structure, despite the ≥20 Ma offset between spreading cessation and initial seamount emplacement. Morphologically, structural inheritance is evidenced by the contrast between two volcanic styles: 1) the rugged, predominantly fissure-fed, fabrics characterizing seamounts emplaced at inside corners of spreading segment-transform intersections; and 2) the conical seamounts with summit craters and isolated dyke-fed flank cones that develop off-axis. Furthermore, volcanic fabrics align closely with the principal stress directions expected for a spreading ridge system in which strong mechanical coupling occurs across transform faults. This suggests that the lithosphere is dissected by numerous deep faults, allowing magma to be channelled away from the site of melting along pre-existing structural trends. The generally low effective elastic thickness, Te, (≤15 km) and lack of a plate age-Te relationship along the chain indicate that structural inheritance is also the major control on lithospheric strength near the extinct spreading centre. While the importance of structural inheritance in controlling magmatic behaviour is commonly acknowledged in continental settings, these results clearly demonstrate the need to also consider it in the oceanic realm.

An Experimental Optical Three-axis Tactile Sensor Featured with Hemispherical Surface

NASA Astrophysics Data System (ADS)

Ohka, Masahiro; Kobayashi, Hiroaki; Takata, Jumpei; Mitsuya, Yasunaga

We are developing an optical three-axis tactile sensor capable of acquiring normal and shearing force to mount on a robotic finger. The tactile sensor is based on the principle of an optical waveguide-type tactile sensor, which is composed of an acrylic hemispherical dome, a light source, an array of rubber sensing elements, and a CCD camera. The sensing element of the silicone rubber comprises one columnar feeler and eight conical feelers. The contact areas of the conical feelers, which maintain contact with the acrylic dome, detect the three-axis force applied to the tip of the sensing element. Normal and shearing forces are then calculated from integration and centroid displacement of the grayscale value derived from the conical feeler's contacts. To evaluate the present tactile sensor, we conducted a series of experiments using an x-z stage, a rotational stage, and a force gauge. Although we discovered that the relationship between the integrated grayscale value and normal force depends on the sensor's latitude on the hemispherical surface, it is easy to modify the sensitivity based on the latitude to make the centroid displacement of the grayscale value proportional to the shearing force. When we examined the repeatability of the present tactile sensor with 1,000 load/unload cycles, the error was 2%.

NOx profile around a signalized intersection of busy roadway

NASA Astrophysics Data System (ADS)

Kim, Kyung Hwan; Lee, Seung-Bok; Woo, Sung Ho; Bae, Gwi-Nam

2014-11-01

The NOx pollution profile around a signalized intersection of a busy roadway was investigated to understand the effect of traffic control on urban air pollution. Traffic flow patterns were classified into three categories of quasi-cruising, a combination of deceleration and acceleration, and a combination of deceleration, idling, and acceleration. The spatial distribution of air pollution levels around an intersection could be represented as a quasi-normal distribution, whose peak height was aggravated by increased emissions due to transient driving patterns. The peak concentration of NOx around the signalized intersection for the deceleration, idling, and acceleration category was five times higher than that for the quasi-cruising category. Severe levels of NOx pollution tailed off approximately 400 m from the center of the intersection. Approximately 200-1000 ppb of additional NOx was observed when traffic was decelerating, idling, and accelerating within the intersection zone, resulting in high exposure levels for pedestrians around the intersection. We propose a fluctuating horizontal distribution of motor vehicle-induced air pollutants as a function of time.

Initial mechanisms for the unimolecular decomposition of electronically excited bisfuroxan based energetic materials.

PubMed

Yuan, Bing; Bernstein, Elliot R

2017-01-07

Unimolecular decomposition of energetic molecules, 3,3'-diamino-4,4'-bisfuroxan (labeled as A) and 4,4'-diamino-3,3'-bisfuroxan (labeled as B), has been explored via 226/236 nm single photon laser excitation/decomposition. These two energetic molecules, subsequent to UV excitation, create NO as an initial decomposition product at the nanosecond excitation energies (5.0-5.5 eV) with warm vibrational temperature (1170 ± 50 K for A, 1400 ± 50 K for B) and cold rotational temperature (<55 K). Initial decomposition mechanisms for these two electronically excited, isolated molecules are explored at the complete active space self-consistent field (CASSCF(12,12)/6-31G(d)) level with and without MP2 correction. Potential energy surface calculations illustrate that conical intersections play an essential role in the calculated decomposition mechanisms. Based on experimental observations and theoretical calculations, NO product is released through opening of the furoxan ring: ring opening can occur either on the S 1 excited or S 0 ground electronic state. The reaction path with the lowest energetic barrier is that for which the furoxan ring opens on the S 1 state via the breaking of the N1-O1 bond. Subsequently, the molecule moves to the ground S 0 state through related ring-opening conical intersections, and an NO product is formed on the ground state surface with little rotational excitation at the last NO dissociation step. For the ground state ring opening decomposition mechanism, the N-O bond and C-N bond break together in order to generate dissociated NO. With the MP2 correction for the CASSCF(12,12) surface, the potential energies of molecules with dissociated NO product are in the range from 2.04 to 3.14 eV, close to the theoretical result for the density functional theory (B3LYP) and MP2 methods. The CASMP2(12,12) corrected approach is essential in order to obtain a reasonable potential energy surface that corresponds to the observed decomposition behavior of these molecules. Apparently, highly excited states are essential for an accurate representation of the kinetics and dynamics of excited state decomposition of both of these bisfuroxan energetic molecules. The experimental vibrational temperatures of NO products of A and B are about 800-1000 K lower than previously studied energetic molecules with NO as a decomposition product.

Optimization of the Conical Angle Design in Conical Implant-Abutment Connections: A Pilot Study Based on the Finite Element Method.

PubMed

Yao, Kuang-Ta; Chen, Chen-Sheng; Cheng, Cheng-Kung; Fang, Hsu-Wei; Huang, Chang-Hung; Kao, Hung-Chan; Hsu, Ming-Lun

2018-02-01

Conical implant-abutment connections are popular for their excellent connection stability, which is attributable to frictional resistance in the connection. However, conical angles, the inherent design parameter of conical connections, exert opposing effects on 2 influencing factors of the connection stability: frictional resistance and abutment rigidity. This pilot study employed an optimization approach through the finite element method to obtain an optimal conical angle for the highest connection stability in an Ankylos-based conical connection system. A nonlinear 3-dimensional finite element parametric model was developed according to the geometry of the Ankylos system (conical half angle = 5.7°) by using the ANSYS 11.0 software. Optimization algorithms were conducted to obtain the optimal conical half angle and achieve the minimal value of maximum von Mises stress in the abutment, which represents the highest connection stability. The optimal conical half angle obtained was 10.1°. Compared with the original design (5.7°), the optimal design demonstrated an increased rigidity of abutment (36.4%) and implant (25.5%), a decreased microgap at the implant-abutment interface (62.3%), a decreased contact pressure (37.9%) with a more uniform stress distribution in the connection, and a decreased stress in the cortical bone (4.5%). In conclusion, the methodology of design optimization to determine the optimal conical angle of the Ankylos-based system is feasible. Because of the heterogeneity of different systems, more studies should be conducted to define the optimal conical angle in various conical connection designs.

Exploring Conics: Why Does B Squared - 4AC Matter?

ERIC Educational Resources Information Center

Herman, Marlena

2012-01-01

The Ancient Greeks studied conic sections from a geometric point of view--by cutting a cone with a plane. Later, Apollonius (ca. 262-190 BCE) obtained the conic sections from one right double cone. The modern approach to the study of conics can be considered "analytic geometry," in which conic sections are defined in terms of distance…

Cesium-Induced Ionic Conduction through a Single Nanofluidic Pore Modified with Calixcrown Moieties.

PubMed

Ali, Mubarak; Ahmed, Ishtiaq; Ramirez, Patricio; Nasir, Saima; Cervera, Javier; Mafe, Salvador; Niemeyer, Christof M; Ensinger, Wolfgang

2017-09-12

We demonstrate experimentally and theoretically a nanofluidic device for the selective recognition of the cesium ion by exploiting host-guest interactions inside confined geometry. For this purpose, a host molecule, i.e., the amine-terminated p-tert-butylcalix[4]arene-crown (t-BuC[4]C-NH 2 ), is successfully synthesized and functionalized on the surface of a single conical nanopore fabricated in a poly(ethylene terephthalate) (PET) membrane through carbodiimide coupling chemistry. On exposure to the cesium cation, the t-BuC[4]C-Cs + complex is formed through host-guest interaction, leading to the generation of positive fixed charges on the pore surface. The asymmetrical distribution of these groups along the conical nanopore leads to the electrical rectification observed in the current-voltage (I-V) curve. On the contrary, other alkali cations are not able to induce any significant change in the rectification characteristics of the nanopore. The success of the chemical modification is monitored from the changes in the electrical readout of the nanopore. Theoretical results based on the Nernst-Planck and Poisson equations further demonstrate the validity of the experimental approach to the cesium-induced ionic conduction of the nanopore.

Fluoride-induced modulation of ionic transport in asymmetric nanopores functionalized with "caged" fluorescein moieties.

PubMed

Ali, Mubarak; Ahmed, Ishtiaq; Ramirez, Patricio; Nasir, Saima; Cervera, Javier; Niemeyer, Christof M; Ensinger, Wolfgang

2016-04-28

We demonstrate experimentally and theoretically a nanofluidic fluoride sensing device based on a single conical pore functionalized with "caged" fluorescein moieties. The nanopore functionalization is based on an amine-terminated fluorescein whose phenolic hydroxyl groups are protected with tert-butyldiphenylsilyl (TBDPS) moieties. The protected fluorescein (Fcn-TBDPS-NH2) molecules are then immobilized on the nanopore surface via carbodiimide coupling chemistry. Exposure to fluoride ions removes the uncharged TBDPS moieties due to the fluoride-promoted cleavage of the silicon-oxygen bond, leading to the generation of negatively charged groups on the fluorescein moieties immobilized onto the pore surface. The asymmetrical distribution of these groups along the conical nanopore leads to the electrical rectification observed in the current-voltage (I-V) curve. On the contrary, other halides and anions are not able to induce any significant ionic rectification in the asymmetric pore. In each case, the success of the chemical functionalization and deprotection reactions is monitored through the changes observed in the I-V curves before and after the specified reaction step. The theoretical results based on the Nernst-Planck and Poisson equations further demonstrate the validity of an experimental approach to fluoride-induced modulation of nanopore current rectification behaviour.

Achromatic vector vortex beams from a glass cone

PubMed Central

Radwell, N.; Hawley, R. D.; Götte, J. B.; Franke-Arnold, S.

2016-01-01

The reflection of light is governed by the laws first described by Augustin-Jean Fresnel: on internal reflection, light acquires a phase shift, which depends on its polarization direction with respect to the plane of incidence. For a conical reflector, the cylindrical symmetry is echoed in an angular variation of this phase shift, allowing us to create light modes with phase and polarization singularities. Here we observe the phase and polarization profiles of light that is back reflected from a solid glass cone and, in the case of circular input light, discover that not only does the beam contain orbital angular momentum but can trivially be converted to a radially polarized beam. Importantly, the Fresnel coefficients are reasonably stable across the visible spectrum, which we demonstrate by measuring white light polarization profiles. This discovery provides a highly cost-effective technique for the generation of broadband orbital angular momentum and radially polarized beams. PMID:26861191

Fabrication of Multi-point Side-Firing Optical Fiber by Laser Micro-ablation

PubMed Central

Nguyen, Hoang; Arnob, Md Masud Parvez; Becker, Aaron T; Wolfe, John C; Hogan, Matthew K; Horner, Philip J; Shih, Wei-Chuan

2018-01-01

A multi-point, side-firing design enables an optical fiber to output light at multiple desired locations along the fiber body. This provides advantages over traditional end-to-end fibers, especially in applications requiring fiber bundles such as brain stimulation or remote sensing. This paper demonstrates that continuous wave (CW) laser micro-ablation can controllably create conical-shaped cavities, or side windows, for outputting light. The dimensions of these cavities determine the amount of firing light and their firing angle. Experimental data show that a single side window on a 730 μm fiber can deliver more than 8 % of the input light. This was increased to more than 19 % on a 65 μm fiber with side windows created using femtosecond (fs) laser ablation and chemical etching. Fine control of light distribution along an optical fiber is critical for various biomedical applications such as light activated drug-release and optogenetics studies. PMID:28454166

Achromatic vector vortex beams from a glass cone

NASA Astrophysics Data System (ADS)

Radwell, N.; Hawley, R. D.; Götte, J. B.; Franke-Arnold, S.

2016-02-01

The reflection of light is governed by the laws first described by Augustin-Jean Fresnel: on internal reflection, light acquires a phase shift, which depends on its polarization direction with respect to the plane of incidence. For a conical reflector, the cylindrical symmetry is echoed in an angular variation of this phase shift, allowing us to create light modes with phase and polarization singularities. Here we observe the phase and polarization profiles of light that is back reflected from a solid glass cone and, in the case of circular input light, discover that not only does the beam contain orbital angular momentum but can trivially be converted to a radially polarized beam. Importantly, the Fresnel coefficients are reasonably stable across the visible spectrum, which we demonstrate by measuring white light polarization profiles. This discovery provides a highly cost-effective technique for the generation of broadband orbital angular momentum and radially polarized beams.

Fabrication of multipoint side-firing optical fiber by laser micro-ablation.

PubMed

Nguyen, Hoang; Parvez Arnob, Md Masud; Becker, Aaron T; Wolfe, John C; Hogan, Matthew K; Horner, Philip J; Shih, Wei-Chuan

2017-05-01

A multipoint, side-firing design enables an optical fiber to output light at multiple desired locations along the fiber body. This provides advantages over traditional end-to-end fibers, especially in applications requiring fiber bundles such as brain stimulation or remote sensing. This Letter demonstrates that continuous wave (CW) laser micro-ablation can controllably create conical-shaped cavities, or side windows, for outputting light. The dimensions of these cavities determine the amount of firing light and their firing angle. Experimental data show that a single side window on a 730 μm fiber can deliver more than 8% of the input light. This can be increased to more than 19% on a 65 μm fiber with side windows created using femtosecond laser ablation and chemical etching. Fine control of light distribution along an optical fiber is critical for various biomedical applications such as light-activated drug-release and optogenetics studies.

Road crossing behavior under traffic light conflict: Modulating effects of green light duration and signal congruency.

PubMed

Lange, Florian; Haiduk, Michael; Boos, Moritz; Tinschert, Peter; Schwarze, Anke; Eggert, Frank

2016-10-01

A large number of pedestrians and cyclists regularly ignore the traffic lights to cross the road illegally. In a recent analysis, illegal road crossing behavior has been shown to be enhanced in the presence of incongruent stimulus configurations. Pedestrians and cyclists are more likely to cross against a red light when exposed to an irrelevant conflicting green light. Here, we present experimental and observational data on the factors moderating the risk associated with incongruent traffic lights. In an observational study, we demonstrated that the conflict-related increase in illegal crossing rates is reduced when pedestrian and cyclist green light periods are long. In a laboratory experiment, we manipulated the color of the irrelevant signals to expose participants to different degrees of incongruency. Results revealed that individuals' performance gradually varied as a function of incongruency, suggesting that the negative impact of a conflicting green light can be reduced by slightly adjusting its color. Our findings highlight that the observation of real-world behavior at intersections and the experimental analysis of psychological processes under controlled laboratory conditions can complement each other in identifying risk factors of risky road crossing behavior. Based on this combination, our study elaborates on promising measures to improve safety at signalized intersections. Copyright © 2016 Elsevier Ltd. All rights reserved.

Making intersections safer : a toolbox of engineering countermeasures to reduce red-light running : an informational report

DOT National Transportation Integrated Search

2003-01-01

The Institute of Transportation Engineers (ITE) formed a panel of experts from federal, state and local governments, as well as academia and the private sector, to share knowledge and experiences in addressing red-light running using engineering coun...

At grade optical crossover for monolithic optial circuits

NASA Technical Reports Server (NTRS)

Jamieson, Robert S. (Inventor)

1983-01-01

Planar optical circuits may be made to cross through each other, (thus eliminating extra steps required to fabricate elevated, nonintersecting crossovers) by control of the dimensions of the crossing light conductors (10, 12) to be significantly greater than d=0.89.lambda. and the angle of crossing as nearly 90.degree. as conveniently possible. A light trap may be provided just ahead of the intersection to trap any light being reflected in the source conductor at angles greater than about 45.degree.. The light trap may take the form of triangular shaped portions (16a, 16b) on each side of the source conductor with the far side of the triangular portion receiving incident light at an angle so that incident light will be reflected to the other side, or it may take the form of windows (18a, 18b) in place of the triangular portions. Planar optical circuit boards (21-23) may be fabricated and stacked to form a keyboard (20) with intersecting conductors (26-29) and keyholes (0-9) where conductors merge at the broad side of the circuit boards. These keyholes may be prearranged to form an array or matrix of keyholes.

Non-decoupled morphological evolution of the fore- and hindlimb of sabretooth predators.

PubMed

Martín-Serra, Alberto; Figueirido, Borja; Palmqvist, Paul

2017-10-01

Specialized organisms are useful for exploring the combined effects of selection of functional traits and developmental constraints on patterns of phenotypic integration. Sabretooth predators are one of the most interesting examples of specialization among mammals. Their hypertrophied, sabre-shaped upper canines and their powerfully built forelimbs have been interpreted as adaptations to a highly specialized predatory behaviour. Given that the elongated and laterally compressed canines of sabretooths were more vulnerable to fracture than the shorter canines of conical-tooth cats, it has been long hypothesized that the heavily muscled forelimbs of sabretooths were used for immobilizing prey before developing a quick and precise killing bite. However, the effect of this unique adaptation on the covariation between the fore- and the hindlimb has not been explored in a quantitative fashion. In this paper, we investigate if the specialization of sabretooth predators decoupled the morphological variation of their forelimb with respect to their hindlimb or, in contrast, both limbs vary in the same fashion as in conical-tooth cats, which do not show such extreme adaptations in their forelimb. We use 3D geometric morphometrics and different morphological indices to compare the fore- and hindlimb of conical- and sabretooth predators. Our results indicate that the limb bones of sabretooth predators covary following the same trend of conical-tooth cats. Therefore, we show that the predatory specialization of sabretooth predators did not result in a decoupling of the morphological evolution of their fore- and hindlimbs. The role of developmental constraints and natural selection on this coordinate variation between the fore- and the hindlimb is discussed in the light of this new evidence. © 2017 Anatomical Society.

To Stop or Not to Stop--Kinematics and the Yellow Light.

ERIC Educational Resources Information Center

Watts, J. Fred

1981-01-01

Describes an exercise involving the use of kinematics to decide if one should stop or try and get through an intersection when the traffic light turns yellow. Gives students' experience in recording data, doing simple calculations and connecting classroom studies to real world experiences. (Author/SK)

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

Zhang, Yue J.; Malikopoulos, Andreas; Cassandras, Christos G.

We address the problem of coordinating online a continuous flow of connected and automated vehicles (CAVs) crossing two adjacent intersections in an urban area. We present a decentralized optimal control framework whose solution yields for each vehicle the optimal acceleration/deceleration at any time in the sense of minimizing fuel consumption. The solu- tion, when it exists, allows the vehicles to cross the intersections without the use of traffic lights, without creating congestion on the connecting road, and under the hard safety constraint of collision avoidance. The effectiveness of the proposed solution is validated through simulation considering two intersections located inmore » downtown Boston, and it is shown that coordination of CAVs can reduce significantly both fuel consumption and travel time.« less

Traffic flow collection wireless sensor network node for intersection light control

NASA Astrophysics Data System (ADS)

Li, Xu; Li, Xue

2011-10-01

Wireless sensor network (WSN) is expected to be deployed in intersection to monitor the traffic flow continuously, and the monitoring datum can be used as the foundation of traffic light control. In this paper, a WSN based on ZigBee protocol for monitoring traffic flow is proposed. Structure, hardware and work flow of WSN nodes are designed. CC2431 from Texas Instrument is chosen as the main computational and transmission unit, and CC2591 as the amplification unit. The stability experiment and the actual environment experiment are carried out in the last of the paper. The results of experiments show that WSN has the ability to collect traffic flow information quickly and transmit the datum to the processing center in real time.

A Heterogeneous Multiprocessor Graphics System Using Processor-Enhanced Memories

DTIC Science & Technology

1989-02-01

frames per second, font generation directly from conic spline descriptions, and rapid calculation of radiosity form factors. The hardware consists of...generality for rendering curved surfaces, volume data, objects dcscri id with Constructive Solid Geometry, for rendering scenes using the radiosity ...f.aces and for computing a spherical radiosity lighting model (see Section 7.6). Custom Memory Chips \\ 208 bits x 128 pixels - Renderer Board ix p o a

Vertically polarizing undulator with the dynamic compensation of magnetic forces for the next generation of light sources

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

Strelnikov, N.; Budker Institute of Nuclear Physics, Novosibirsk 630090; Trakhtenberg, E.

2014-11-15

A short prototype (847-mm-long) of an Insertion Device (ID) with the dynamic compensation of ID magnetic forces has been designed, built, and tested at the Advanced Photon Source (APS) of the Argonne National Laboratory. The ID magnetic forces were compensated by the set of conical springs placed along the ID strongback. Well-controlled exponential characteristics of conical springs permitted a very close fit to the ID magnetic forces. Several effects related to the imperfections of actual springs, their mounting and tuning, and how these factors affect the prototype performance has been studied. Finally, series of tests to determine the accuracy andmore » reproducibility of the ID magnetic gap settings have been carried out. Based on the magnetic measurements of the ID B{sub eff}, it has been demonstrated that the magnetic gaps within an operating range were controlled accurately and reproducibly within ±1 μm. Successful tests of this ID prototype led to the design of a 3-m long device based on the same concept. The 3-m long prototype is currently under construction. It represents R and D efforts by the APS toward APS Upgrade Project goals as well as the future generation of IDs for the Linac Coherent Light Source (LCLS)« less

Room-temperature Coulomb staircase in semiconducting InP nanowires modulated with light illumination.

PubMed

Yamada, Toshishige; Yamada, Hidenori; Lohn, Andrew J; Kobayashi, Nobuhiko P

2011-02-04

Detailed electron transport analysis is performed for an ensemble of conical indium phosphide nanowires bridging two hydrogenated n(+)-silicon electrodes. The current-voltage (I-V) characteristics exhibit a Coulomb staircase in the dark with a period of ∼ 1 V at room temperature. The staircase is found to disappear under light illumination. This observation can be explained by assuming the presence of a tiny Coulomb island, and its existence is possible due to the large surface depletion region created within contributing nanowires. Electrons tunnel in and out of the Coulomb island, resulting in the Coulomb staircase I-V. Applying light illumination raises the electron quasi-Fermi level and the tunneling barriers are buried, causing the Coulomb staircase to disappear.

Conical diffraction as a versatile building block to implement new imaging modalities for superresolution in fluorescence microscopy

NASA Astrophysics Data System (ADS)

Fallet, Clément; Caron, Julien; Oddos, Stephane; Tinevez, Jean-Yves; Moisan, Lionel; Sirat, Gabriel Y.; Braitbart, Philippe O.; Shorte, Spencer L.

2014-08-01

We present a new technology for super-resolution fluorescence imaging, based on conical diffraction. Conical diffraction is a linear, singular phenomenon taking place when a polarized beam is diffracted through a biaxial crystal. The illumination patterns generated by conical diffraction are more compact than the classical Gaussian beam; we use them to generate a super-resolution imaging modality. Conical Diffraction Microscopy (CODIM) resolution enhancement can be achieved with any type of objective on any kind of sample preparation and standard fluorophores. Conical diffraction can be used in multiple fashion to create new and disruptive technologies for super-resolution microscopy. This paper will focus on the first one that has been implemented and give a glimpse at what the future of microscopy using conical diffraction could be.

Initiation structure of oblique detonation waves behind conical shocks

NASA Astrophysics Data System (ADS)

Yang, Pengfei; Ng, Hoi Dick; Teng, Honghui; Jiang, Zonglin

2017-08-01

The understanding of oblique detonation dynamics has both inherent basic research value for high-speed compressible reacting flow and propulsion application in hypersonic aerospace systems. In this study, the oblique detonation structures formed by semi-infinite cones are investigated numerically by solving the unsteady, two-dimensional axisymmetric Euler equations with a one-step irreversible Arrhenius reaction model. The present simulation results show that a novel wave structure, featured by two distinct points where there is close-coupling between the shock and combustion front, is depicted when either the cone angle or incident Mach number is reduced. This structure is analyzed by examining the variation of the reaction length scale and comparing the flow field with that of planar, wedge-induced oblique detonations. Further simulations are performed to study the effects of chemical length scale and activation energy, which are both found to influence the formation of this novel structure. The initiation mechanism behind the conical shock is discussed to investigate the interplay between the effect of the Taylor-Maccoll flow, front curvature, and energy releases from the chemical reaction in conical oblique detonations. The observed flow fields are interpreted by means of the energetic limit as in the critical regime for initiation of detonation.

Increase in the neutron yield from a dense plasma-focus experiment performed with a conical tip placed in the centre of the anode end

NASA Astrophysics Data System (ADS)

Kubes, P.; Paduch, M.; Cikhardt, J.; Cikhardtova, B.; Klir, D.; Kravarik, J.; Rezac, K.; Zielinska, E.; Sadowski, M. J.; Szymaszek, A.; Tomaszewski, K.; Zaloga, D.

2017-09-01

The paper describes the evolution of self-organized structures inside a pinched plasma column during the phase of the effective production of fusion neutrons, as observed in the mega-ampere plasma focus experiment performed with a conical tip placed in the centre of the anode face. In a comparison with the plane anode face configuration, the described anode shape facilitated transformations in the pinch column during the neutron production and increased the neutron yield several times. Simultaneously, it decreased the minimal diameter and the length of the pinched column, and it depressed the first neutron pulse. It also induced shorter pulses of X-rays and neutrons, which enabled the determination of a temporal difference between the emission of electron and deuteron beams. The fast electrons were produced mainly during a disruption of the pinch constriction, while the fast deuterons - during the formation and explosion of plasmoids. The paper also presents the temporal evolution of a current distribution in the plasmoid during the neutron production, as well as the appearance and stable positions of current filaments traces upon the surface of the conical anode tip.

On the quasi-conical flowfield structure of the swept shock wave-turbulent boundary layer interaction

NASA Technical Reports Server (NTRS)

Knight, Doyle D.; Badekas, Dias

1991-01-01

The swept oblique shock-wave/turbulent-boundary-layer interaction generated by a 20-deg sharp fin at Mach 4 and Reynolds number 21,000 is investigated via a series of computations using both conical and three-dimensional Reynolds-averaged Navier-Stokes equations with turbulence incorporated through the algebraic turbulent eddy viscosity model of Baldwin-Lomax. Results are compared with known experimental data, and it is concluded that the computed three-dimensional flowfield is quasi-conical (in agreement with the experimental data), the computed three-dimensional and conical surface pressure and surface flow direction are in good agreement with the experiment, and the three-dimensional and conical flows significantly underpredict the peak experimental skin friction. It is pointed out that most of the features of the conical flowfield model in the experiment are observed in the conical computation which also describes the complete conical streamline pattern not included in the model of the experiment.

Effect of Inductive Coil Geometry and Current Sheet Trajectory of a Conical Theta Pinch Pulsed Inductive Plasma Accelerator

NASA Technical Reports Server (NTRS)

Hallock, Ashley K.; Polzin, Kurt A.; Bonds, Kevin W.; Emsellem, Gregory D.

2011-01-01

Results are presented demonstrating the e ect of inductive coil geometry and current sheet trajectory on the exhaust velocity of propellant in conical theta pinch pulsed induc- tive plasma accelerators. The electromagnetic coupling between the inductive coil of the accelerator and a plasma current sheet is simulated, substituting a conical copper frustum for the plasma. The variation of system inductance as a function of plasma position is obtained by displacing the simulated current sheet from the coil while measuring the total inductance of the coil. Four coils of differing geometries were employed, and the total inductance of each coil was measured as a function of the axial displacement of two sep- arate copper frusta both having the same cone angle and length as the coil but with one compressed to a smaller size relative to the coil. The measured relationship between total coil inductance and current sheet position closes a dynamical circuit model that is used to calculate the resulting current sheet velocity for various coil and current sheet con gura- tions. The results of this model, which neglects the pinching contribution to thrust, radial propellant con nement, and plume divergence, indicate that in a conical theta pinch ge- ometry current sheet pinching is detrimental to thruster performance, reducing the kinetic energy of the exhausting propellant by up to 50% (at the upper bound for the parameter range of the study). The decrease in exhaust velocity was larger for coils and simulated current sheets of smaller half cone angles. An upper bound for the pinching contribution to thrust is estimated for typical operating parameters. Measurements of coil inductance for three di erent current sheet pinching conditions are used to estimate the magnetic pressure as a function of current sheet radial compression. The gas-dynamic contribution to axial acceleration is also estimated and shown to not compensate for the decrease in axial electromagnetic acceleration that accompanies the radial compression of the plasma in conical theta pinches.

Best-Fit Conic Approximation of Spacecraft Trajectory

NASA Technical Reports Server (NTRS)

Singh, Gurkipal

2005-01-01

A computer program calculates a best conic fit of a given spacecraft trajectory. Spacecraft trajectories are often propagated as conics onboard. The conic-section parameters as a result of the best-conic-fit are uplinked to computers aboard the spacecraft for use in updating predictions of the spacecraft trajectory for operational purposes. In the initial application for which this program was written, there is a requirement to fit a single conic section (necessitated by onboard memory constraints) accurate within 200 microradians to a sequence of positions measured over a 4.7-hour interval. The present program supplants a prior one that could not cover the interval with fewer than four successive conic sections. The present program is based on formulating the best-fit conic problem as a parameter-optimization problem and solving the problem numerically, on the ground, by use of a modified steepest-descent algorithm. For the purpose of this algorithm, optimization is defined as minimization of the maximum directional propagation error across the fit interval. In the specific initial application, the program generates a single 4.7-hour conic, the directional propagation of which is accurate to within 34 microradians easily exceeding the mission constraints by a wide margin.

Double-layered liquid crystal light shutter for control of absorption and scattering of the light incident to a transparent display device

NASA Astrophysics Data System (ADS)

Huh, Jae-Won; Yu, Byeong-Hun; Shin, Dong-Myung; Yoon, Tae-Hoon

2015-03-01

Recently, a transparent display has got much attention as one of the next generation display devices. Especially, active studies on a transparent display using organic light-emitting diodes (OLEDs) are in progress. However, since it is not possible to obtain black color using a transparent OLED, it suffers from poor visibility. This inevitable problem can be solved by using a light shutter. Light shutter technology can be divided into two types; light absorption and scattering. However, a light shutter based on light absorption cannot block the background image perfectly and a light shutter based on light scattering cannot provide black color. In this work we demonstrate a light shutter using two liquid crystal (LC) layers, a light absorption layer and a light scattering layer. To realize a light absorption layer and a light scattering layer, we use the planar state of a dye-doped chiral nematic LC (CNLC) cell and the focal-conic state of a long-pitch CNLC cell, respectively. The proposed light shutter device can block the background image perfectly and show black color. We expect that the proposed light shutter can increase the visibility of a transparent display.

Voltage-Rectified Current and Fluid Flow in Conical Nanopores.

PubMed

Lan, Wen-Jie; Edwards, Martin A; Luo, Long; Perera, Rukshan T; Wu, Xiaojian; Martin, Charles R; White, Henry S

2016-11-15

Ion current rectification (ICR) refers to the asymmetric potential-dependent rate of the passage of solution ions through a nanopore, giving rise to electrical current-voltage characteristics that mimic those of a solid-state electrical diode. Since the discovery of ICR in quartz nanopipettes two decades ago, synthetic nanopores and nanochannels of various geometries, fabricated in membranes and on wafers, have been extensively investigated to understand fundamental aspects of ion transport in highly confined geometries. It is now generally accepted that ICR requires an asymmetric electrical double layer within the nanopore, producing an accumulation or depletion of charge-carrying ions at opposite voltage polarities. Our research groups have recently explored how the voltage-dependent ion distributions and ICR within nanopores can induce novel nanoscale flow phenomena that have applications in understanding ionics in porous materials used in energy storage devices, chemical sensing, and low-cost electrical pumping of fluids. In this Account, we review our most recent investigations on this topic, based on experiments using conical nanopores (10-300 nm tip opening) fabricated in thin glass, mica, and polymer membranes. Measurable fluid flow in nanopores can be induced either using external pressure forces, electrically via electroosmotic forces, or by a combination of these two forces. We demonstrate that pressure-driven flow can greatly alter the electrical properties of nanopores and, vice versa, that the nonlinear electrical properties of conical nanopores can impart novel and useful flow phenomena. Electroosmotic flow (EOF), which depends on the magnitude of the ion fluxes within the double layer of the nanopore, is strongly coupled to the accumulation/depletion of ions. Thus, the same underlying cause of ICR also leads to EOF rectification, i.e., unequal flows occurring for the same voltage but opposite polarities. EOF rectification can be used to electrically pump fluids with very precise control across membranes containing conical pores via the application of a symmetric sinusoidal voltage. The combination of pressure and asymmetric EOF can also provide a means to generate new nanopore electrical behaviors, including negative differential resistance (NDR), in which the current through a conical pore decreases with increasing driving force (applied voltage), similar to solid-state tunnel diodes. NDR results from a positive feedback mechanism between the ion distributions and EOF, yielding a true bistability in both fluid flow and electrical current at a critical applied voltage. Nanopore-based NDR is extremely sensitive to the surface charge near the nanopore opening, suggesting possible applications in chemical sensing.

Differences in passenger car and large truck involved crash frequencies at urban signalized intersections: an exploratory analysis.

PubMed

Dong, Chunjiao; Clarke, David B; Richards, Stephen H; Huang, Baoshan

2014-01-01

The influence of intersection features on safety has been examined extensively because intersections experience a relatively large proportion of motor vehicle conflicts and crashes. Although there are distinct differences between passenger cars and large trucks-size, operating characteristics, dimensions, and weight-modeling crash counts across vehicle types is rarely addressed. This paper develops and presents a multivariate regression model of crash frequencies by collision vehicle type using crash data for urban signalized intersections in Tennessee. In addition, the performance of univariate Poisson-lognormal (UVPLN), multivariate Poisson (MVP), and multivariate Poisson-lognormal (MVPLN) regression models in establishing the relationship between crashes, traffic factors, and geometric design of roadway intersections is investigated. Bayesian methods are used to estimate the unknown parameters of these models. The evaluation results suggest that the MVPLN model possesses most of the desirable statistical properties in developing the relationships. Compared to the UVPLN and MVP models, the MVPLN model better identifies significant factors and predicts crash frequencies. The findings suggest that traffic volume, truck percentage, lighting condition, and intersection angle significantly affect intersection safety. Important differences in car, car-truck, and truck crash frequencies with respect to various risk factors were found to exist between models. The paper provides some new or more comprehensive observations that have not been covered in previous studies. Copyright © 2013 Elsevier Ltd. All rights reserved.

A Cooperative Traffic Control of Vehicle–Intersection (CTCVI) for the Reduction of Traffic Delays and Fuel Consumption

PubMed Central

Li, Jinjian; Dridi, Mahjoub; El-Moudni, Abdellah

2016-01-01

The problem of reducing traffic delays and decreasing fuel consumption simultaneously in a network of intersections without traffic lights is solved by a cooperative traffic control algorithm, where the cooperation is executed based on the connection of Vehicle-to-Infrastructure (V2I). This resolution of the problem contains two main steps. The first step concerns the itinerary of which intersections are chosen by vehicles to arrive at their destination from their starting point. Based on the principle of minimal travel distance, each vehicle chooses its itinerary dynamically based on the traffic loads in the adjacent intersections. The second step is related to the following proposed cooperative procedures to allow vehicles to pass through each intersection rapidly and economically: on one hand, according to the real-time information sent by vehicles via V2I in the edge of the communication zone, each intersection applies Dynamic Programming (DP) to cooperatively optimize the vehicle passing sequence with minimal traffic delays so that the vehicles may rapidly pass the intersection under the relevant safety constraints; on the other hand, after receiving this sequence, each vehicle finds the optimal speed profiles with the minimal fuel consumption by an exhaustive search. The simulation results reveal that the proposed algorithm can significantly reduce both travel delays and fuel consumption compared with other papers under different traffic volumes. PMID:27999333

Smectic A Filled Birefringent Elements and Fast Switching Twisted Dual Frequency Nematic Cells Used for Digital Light Deflection

NASA Technical Reports Server (NTRS)

Pishnyak, Oleg; Golovin, Andrii; Kreminskia, Liubov; Pouch, John J.; Miranda, Felix A.; Winker, Bruce K.; Lavrentovich, Oleg D.

2006-01-01

We describe the application of smectic A (SmA) liquid crystals for beam deflection. SmA materials can be used in digital beam deflectors (DBDs) as fillers for passive birefringent prisms. SmA prisms have high birefringence and can be constructed in a variety of shapes, including single prisms and prismatic blazed gratings of different angles and profiles. We address the challenges of uniform alignment of SmA, such as elimination of focal conic domains. Fast rotation of the incident light polarization in DBDs is achieved by an electrically switched 90 twisted nematic (TN) cell.

Archaeometallurgical characterization of the earliest European metal helmets

PubMed Central

Mödlinger, Marianne; Piccardo, Paolo; Kasztovszky, Zsolt; Kovács, Imre; Szőkefalvi-Nagy, Zoltán; Káli, György; Szilágyi, Veronika

2013-01-01

Archaeometric analyses on conical and decorated cap helmets from the Bronze Age are presented. The helmets are dated to the 14–12th century BC according to associated finds in hoards. Alloy composition, material structure and manufacturing processes are determined and shed light on the earliest development of weaponry production in Central and Eastern Europe. Analyses were carried out using light and dark field microscopy, SEM–EDXS, PIXE, TOF-ND and PGAA. The results allowed reconstructing the manufacturing process, the differences between the cap of the helmets and their knobs (i.e. alloy composition) and the joining technique of the two parts. PMID:26523114

Effect of Inductive Coil Geometry on the Thrust Efficiency of a Microwave Assisted Discharge Inductive Plasma Accelerator

NASA Technical Reports Server (NTRS)

Hallock, Ashley; Polzin, Kurt; Emsellem, Gregory

2012-01-01

Pulsed inductive plasma thrusters [1-3] are spacecraft propulsion devices in which electrical energy is capacitively stored and then discharged through an inductive coil. The thruster is electrodeless, with a time-varying current in the coil interacting with a plasma covering the face of the coil to induce a plasma current. Propellant is accelerated and expelled at a high exhaust velocity (O(10-100 km/s)) by the Lorentz body force arising from the interaction of the magnetic field and the induced plasma current. While this class of thruster mitigates the life-limiting issues associated with electrode erosion, pulsed inductive plasma thrusters require high pulse energies to inductively ionize propellant. The Microwave Assisted Discharge Inductive Plasma Accelerator (MAD-IPA) [4, 5] is a pulsed inductive plasma thruster that addressees this issue by partially ionizing propellant inside a conical inductive coil via an electron cyclotron resonance (ECR) discharge. The ECR plasma is produced using microwaves and permanent magnets that are arranged to create a thin resonance region along the inner surface of the coil, restricting plasma formation, and in turn current sheet formation, to a region where the magnetic coupling between the plasma and the inductive coil is high. The use of a conical theta-pinch coil is under investigation. The conical geometry serves to provide neutral propellant containment and plasma plume focusing that is improved relative to the more common planar geometry of the Pulsed Inductive Thruster (PIT) [2, 3], however a conical coil imparts a direct radial acceleration of the current sheet that serves to rapidly decouple the propellant from the coil, limiting the direct axial electromagnetic acceleration in favor of an indirect acceleration mechanism that requires significant heating of the propellant within the volume bounded by the current sheet. In this paper, we describe thrust stand measurements performed to characterize the performance (specific impulse, thrust efficiency) of the MAD-IPA thruster. Impulse data are obtained at various pulse energies, mass flow rates and inductive coil. geometries. Dependencies on these experimental parameters are discussed in the context of the current sheet formation and electromagnetic plasma acceleration processes.

Conical : An extended module for computing a numerically satisfactory pair of solutions of the differential equation for conical functions

NASA Astrophysics Data System (ADS)

Dunster, T. M.; Gil, A.; Segura, J.; Temme, N. M.

2017-08-01

Conical functions appear in a large number of applications in physics and engineering. In this paper we describe an extension of our module Conical (Gil et al., 2012) for the computation of conical functions. Specifically, the module includes now a routine for computing the function R-1/2+ iτ m (x) , a real-valued numerically satisfactory companion of the function P-1/2+ iτ m (x) for x > 1. In this way, a natural basis for solving Dirichlet problems bounded by conical domains is provided. The module also improves the performance of our previous algorithm for the conical function P-1/2+ iτ m (x) and it includes now the computation of the first order derivative of the function. This is also considered for the function R-1/2+ iτ m (x) in the extended algorithm.

Bibliography of Soviet Laser Developments, Number 86, November - December 1986.

DTIC Science & Technology

1987-12-01

Korenev , M.S. 0. Synthesis of the sensitive element for a fiberoptic level transducer based on irregular light guide structures. TsNIITEIpriboro...Deposit, no. 3412-prD86, 9 p. (PRSUB, no. 12, 1986, 43). 687. Korenev , M.S. (). Analysis of the characteristics of bispiral conical sensing elements...TsNIITEIpriboro. Deposit, no. 3414-prD86, 8 p. (PRSUB, no. 12, 1986, 43). 688. Korenev , M.S. (). Discrete extrapolation algorithm to process measuring

Conical Lens for 5-Inch/54 Gun Launched Missile

DTIC Science & Technology

1981-06-01

Propagation, Interferenceand Diffraction of Light, 2nd ed. (revised), p. 121-124, Pergamon Press, 1964. 10. Anton , Howard, Elementary Linear Algebra , p. 1-21...equations is nonlinear in x, but is linear in the coefficients. Therefore, the techniques of linear algebra can be used on equation (F-13). The method...This thesis assumes the air to be homogenous, isotropic, linear , time indepen- dent (HILT) and free of shock waves in order to investigate the

Finite element method for calculating spectral and optical characteristics of axially symmetric quantum dots

NASA Astrophysics Data System (ADS)

Gusev, A. A.; Chuluunbaatar, O.; Vinitsky, S. I.; Derbov, V. L.; Hai, L. L.; Kazaryan, E. M.; Sarkisyan, H. A.

2018-04-01

We present new calculation schemes using high-order finite element method implemented on unstructured grids with triangle elements for solving boundary-value problems that describe axially symmetric quantum dots. The efficiency of the algorithms and software is demonstrated by benchmark calculations of the energy spectrum, the envelope eigenfunctions of electron, hole and exciton states, and the direct interband light absorption in conical and spheroidal impenetrable quantum dots.

Adenine and 2-aminopurine: Paradigms of modern theoretical photochemistry

PubMed Central

Serrano-Andrés, Luis; Merchán, Manuela; Borin, Antonio C.

2006-01-01

Distinct photophysical behavior of nucleobase adenine and its constitutional isomer, 2-aminopurine, has been studied by using quantum chemical methods, in particular an accurate ab initio multiconfigurational second-order perturbation theory. After light irradiation, the efficient, ultrafast energy dissipation observed for nonfluorescent 9H-adenine is explained here by the nonradiative internal conversion process taking place along a barrierless reaction path from the initially populated 1(ππ* La) excited state toward a low-lying conical intersection (CI) connected with the ground state. In contrast, the strong fluorescence recorded for 2-aminopurine at 4.0 eV with large decay lifetime is interpreted by the presence of a minimum in the 1(ππ* La) hypersurface lying below the lowest CI and the subsequent potential energy barrier required to reach the funnel to the ground state. Secondary deactivation channels were found in the two systems related to additional CIs involving the 1(ππ* Lb) and 1(nπ*) states. Although in 9H-adenine a population switch between both states is proposed, in 7H-adenine this may be perturbed by a relatively larger barrier to access the 1(nπ*) state, and, therefore, the 1(ππ* Lb) state becomes responsible for the weak fluorescence measured in aqueous adenine at ≈4.5 eV. In contrast to previous models that explained fluorescence quenching in adenine, unlike in 2-aminopurine, on the basis of the vibronic coupling of the nearby 1(ππ*) and 1(nπ*) states, the present results indicate that the 1(nπ*) state does not contribute to the leading photophysical event and establish the prevalence of a model based on the CI concept in modern photochemistry. PMID:16731617

Adenine and 2-aminopurine: paradigms of modern theoretical photochemistry.

PubMed

Serrano-Andrés, Luis; Merchán, Manuela; Borin, Antonio C

2006-06-06

Distinct photophysical behavior of nucleobase adenine and its constitutional isomer, 2-aminopurine, has been studied by using quantum chemical methods, in particular an accurate ab initio multiconfigurational second-order perturbation theory. After light irradiation, the efficient, ultrafast energy dissipation observed for nonfluorescent 9H-adenine is explained here by the nonradiative internal conversion process taking place along a barrierless reaction path from the initially populated 1(pipi* La) excited state toward a low-lying conical intersection (CI) connected with the ground state. In contrast, the strong fluorescence recorded for 2-aminopurine at 4.0 eV with large decay lifetime is interpreted by the presence of a minimum in the 1(pipi* La) hypersurface lying below the lowest CI and the subsequent potential energy barrier required to reach the funnel to the ground state. Secondary deactivation channels were found in the two systems related to additional CIs involving the 1(pipi* Lb) and 1(npi*) states. Although in 9H-adenine a population switch between both states is proposed, in 7H-adenine this may be perturbed by a relatively larger barrier to access the 1(npi*) state, and, therefore, the 1(pipi* Lb) state becomes responsible for the weak fluorescence measured in aqueous adenine at approximately 4.5 eV. In contrast to previous models that explained fluorescence quenching in adenine, unlike in 2-aminopurine, on the basis of the vibronic coupling of the nearby 1(pipi*) and 1(npi*) states, the present results indicate that the 1(npi*) state does not contribute to the leading photophysical event and establish the prevalence of a model based on the CI concept in modern photochemistry.

Boring apparatus capable of boring straight holes

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

Peterson, C.R.

The invention relates to a rock boring assembly for producing a straight hole for use in a drill string above a pilot boring bit of predetermined diameter smaller than the desired final hole size. The boring assembly comprises a small conical boring bit and a larger conical boring, the conical boring bits mounted on lower and upper ends of an enlongated spacer, respectively, and the major effective cutting diameters of each of the conical boring bits being at least 10% greater than the minor effective cutting diameter of the respective bit. The spacer has a cross-section resistant bending and spacesmore » the conical boring bits apart a distance at least 5 times the major cutting diameter of the small conical boring bit, thereby spacing the pivot points provided by the two conical boring bits to limit bodily angular deflection of the assembly and providing a substantial moment arm to resist lateral forces applied to the assembly by the pilot bit and drill string. The spacing between the conical bits is less than about 20 times the major cutting diameter of the lower conical boring bit to enable the spacer to act as a bend-resistant beam to resist angular deflection of the axis of either of the conical boring bits relative to the other when it receives uneven lateral force due to non-uniformity of cutting conditions about the circumference of the bit. Advantageously the boring bits also are self-advancing and feature skewed rollers. 7 claims.« less

Laser control of reactions of photoswitching functional molecules.

PubMed

Tamura, Hiroyuki; Nanbu, Shinkoh; Ishida, Toshimasa; Nakamura, Hiroki

2006-07-21

Laser control schemes of reactions of photoswitching functional molecules are proposed based on the quantum mechanical wave-packet dynamics and the design of laser parameters. The appropriately designed quadratically chirped laser pulses can achieve nearly complete transitions of wave packet among electronic states. The laser parameters can be optimized by using the Zhu-Nakamura theory of nonadiabatic transition. This method is effective not only for the initial photoexcitation process but also for the pump and dump scheme in the middle of the overall photoswitching process. The effects of momentum of the wave packet crossing a conical intersection on the branching ratio of products have also been clarified. These control schemes mentioned above are successfully applied to the cyclohexadiene/hexatriene photoisomerization (ring-opening) process which is the reaction center of practical photoswitching molecules such as diarylethenes. The overall efficiency of the ring opening can be appreciably increased by using the appropriately designed laser pulses compared to that of the natural photoisomerization without any control schemes.

Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline

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

Ortiz-Sanchez, Juan Manuel; Gelabert, Ricard; Moreno, Miquel

2008-12-07

The ultrafast proton transfer dynamics of salicylideneaniline has been theoretically analyzed in the ground and first singlet excited electronic states using density functional theory (DFT) and time-dependent DFT calculations, which predict a ({pi},{pi}*) barrierless excited state intramolecular proton transfer (ESIPT). In addition to this, the photochemistry of salicylideneaniline is experimentally known to present fast depopulation processes of the photoexcited species before and after the proton transfer reaction. Such processes are explained by means of conical intersections between the ground and first singlet ({pi},{pi}*) excited electronic states. The electronic energies obtained by the time-dependent density functional theory formalism have been fittedmore » to a monodimensional potential energy surface in order to perform quantum dynamics study of the processes. Our results show that the proton transfer and deactivation of the photoexcited species before the ESIPT processes are completed within 49.6 and 37.7 fs, respectively, which is in remarkable good agreement with experiments.« less

The vibrational Jahn-Teller effect in E⊗e systems

NASA Astrophysics Data System (ADS)

Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S.

2015-10-01

The Jahn-Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH3CN and Cr(C6H6)(CO)3, the global minimum of the non-degenerate electronic potential energy surface occurs at the C3v geometry, but in CH3OH, the equilibrium geometry is far from the C3v reference geometry. In the former cases, the computed spontaneous Jahn-Teller distortion is exceptionally small. In methanol, the vibrational Jahn-Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν2 and ν9 vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn-Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH3OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

Relaxation Mechanisms of 5-Azacytosine.

PubMed

Giussani, Angelo; Merchán, Manuela; Gobbo, João Paulo; Borin, Antonio Carlos

2014-09-09

The photophysics and deactivation pathways of the noncanonical 5-azacytosine nucleobase were studied using the CASPT2//CASSCF protocol. One of the most significant differences with respect to the parent molecule cytosine is the presence of a dark (1)(nNπ*) excited state placed energetically below the bright excited state (1)(ππ*) at the Franck-Condon region. The main photoresponse of the system is a presumably efficient radiationless decay back to the original ground state, mediated by two accessible conical intersections involving a population transfer from the (1)(ππ*) and the (1)(nNπ*) states to the ground state. Therefore, a minor contribution of the triplet states in the photophysics of the system is expected, despite the presence of a deactivation path leading to the lowest (3)(ππ*) triplet state. The global scenario on the photophysics and photochemistry of the 5-azacytosine system gathered on theoretical grounds is consistent with the available experimental data, taking especially into account the low values of the singlet-triplet intersystem crossing and fluorescence quantum yields observed.

Communication: Ab initio study of O{sub 4}H{sup +}: A tracer molecule in the interstellar medium?

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

Xavier, George D.; Bernal-Uruchurtu, Margarita I.; Hernández-Lamoneda, Ramón, E-mail: ramon@uaem.mx

2014-08-28

The structure and energetics of the protonated molecular oxygen dimer calculated via ab initio methods is reported. We find structures that share analogies with the eigen and zundel forms for the protonated water dimer although the symmetrical sharing of the proton is more prevalent. Analysis of different fragmentation channels show charge transfer processes which indicate the presence of conical intersections for various states including the ground state. An accurate estimate for the proton affinity of O{sub 4} leads to a significantly larger value (5.6 eV) than for O{sub 2} (4.4 eV), implying that the reaction H{sub 3}{sup +} + O{submore » 4} → O{sub 4}H{sup +} + H{sub 2} is exothermic by 28 Kcal/mol as opposed to the case of O{sub 2} which is nearly thermoneutral. This opens up the possibility of using O{sub 4}H{sup +} as a tracer molecule for oxygen in the interstellar medium.« less

A roaming wavepacket in the dynamics of electronically excited 2-hydroxypyridine.

PubMed

Poisson, Lionel; Nandi, Dhananjay; Soep, Benoît; Hochlaf, Majdi; Boggio-Pasqua, Martial; Mestdagh, Jean-Michel

2014-01-14

How much time does it take for a wavepacket to roam on a multidimensional potential energy surface? This combined theoretical and pump-probe femtosecond time experiment on 2-hydroxypyridine proposes an answer. Bypassing the well-established transition state and conical intersection relaxation pathways, this molecular system undergoes relaxation into the S1 excited state: the central ring is destabilized by the electronic excitation, within ~100 fs after absorption of the pump photon, then the H-atom bound to oxygen undergoes a roaming behavior when it couples to other degrees of freedom of the molecule. The timescale of the latter process is measured to be ~1.3 ps. Further evolution of the wavepacket is either an oscillation onto the S1 potential or a conversion into the triplet state for timescale larger than ~110 ps. Our work introduces a new tool for the understanding of time-resolved relaxation dynamics applied to large molecules through the roaming dynamics characterized by its strongly delocalized wavepacket on flat molecular potential energy surfaces.

Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods

NASA Astrophysics Data System (ADS)

Rode, Michał F.; Sobolewski, Andrzej L.

2014-02-01

Effect of chemical substitutions to the molecular structure of 3-hydroxy-picolinic acid on photo-switching properties of the system operating on excited-state intramolecular double proton transfer (d-ESIPT) process [M. F. Rode and A. L. Sobolewski, Chem. Phys. 409, 41 (2012)] was studied with the aid of electronic structure theory methods. It was shown that simultaneous application of electron-donating and electron-withdrawing substitutions at certain positions of the molecular frame increases the height of the S0-state tautomerization barrier (ensuring thermal stability of isomers) and facilitates a barrierless access to the S1/S0 conical intersection from the Franck-Condon region of the S1 potential-energy surface. Results of study point to the conclusion that the most challenging issue for practical design of a fast molecular photoswitch based on d-ESIPT phenomenon are to ensure a selectivity of optical excitation of a given tautomeric form of the system.

Accidental degeneracy in k-space, geometrical phase, and the perturbation of π by spin-orbit interactions

NASA Astrophysics Data System (ADS)

Allen, Philip B.; Pickett, Warren E.

2018-06-01

Since closed lines of accidental electronic degeneracies were demonstrated to be possible, even frequent, by Herring in 1937, no further developments arose for eight decades. The earliest report of such a nodal loop in a real material - aluminum - is recounted and elaborated on. Nodal loop semimetals have become a focus of recent activity, with emphasis on other issues. Band degeneracies are, after all, the origin of topological phases in crystalline materials. Spin-orbit interaction lifts accidental band degeneracies, with the resulting spectrum being provided here. The geometric phase γ(C) = ± π for circuits C surrounding a line of such degeneracy cannot survive completely unchanged. The change depends on how the spin is fixed during adiabatic evolution. For spin fixed along the internal spin-orbit field, γ(C) decreases to zero as the circuit collapses around the line of lifted degeneracy. For spin fixed along a perpendicular axis, the conical intersection persists and γ(C) = ± π is unchanged.

Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: Excited-state QM/MM molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Nakayama, Akira; Arai, Gaku; Yamazaki, Shohei; Taketsugu, Tetsuya

2013-12-01

On-the-fly excited-state quantum mechanics/molecular mechanics molecular dynamics (QM/MM-MD) simulations of thymine in aqueous solution are performed to investigate the role of solvent water molecules on the nonradiative deactivation process. The complete active space second-order perturbation theory (CASPT2) method is employed for a thymine molecule as the QM part in order to provide a reliable description of the excited-state potential energies. It is found that, in addition to the previously reported deactivation pathway involving the twisting of the C-C double bond in the pyrimidine ring, another efficient deactivation pathway leading to conical intersections that accompanies the out-of-plane displacement of the carbonyl group is observed in aqueous solution. Decay through this pathway is not observed in the gas phase simulations, and our analysis indicates that the hydrogen bonds with solvent water molecules play a key role in stabilizing the potential energies of thymine in this additional decay pathway.

Photon echo spectroscopy reveals structure-dynamics relationships in carotenoids

NASA Astrophysics Data System (ADS)

Christensson, N.; Polivka, T.; Yartsev, A.; Pullerits, T.

2009-06-01

Based on simultaneous analysis of the frequency-resolved transient grating, peak shift, and echo width signals, we present a model for the third-order optical response of carotenoids including population dynamics and system-bath interactions. Our frequency-resolved photon echo experiments show that the model needs to incorporate the excited-state absorption from both the S2 and the S1 states. We apply our model to analyze the experimental results on astaxanthin and lycopene, aiming to elucidate the relation between structure and system-bath interactions. Our analysis allows us to relate structural motifs to changes in the energy-gap correlation functions. We find that the terminal rings of astaxanthin lead to increased coupling between slow molecular motions and the electronic transition. We also find evidence for stronger coupling to higher frequency overdamped modes in astaxanthin, pointing to the importance of the functional groups in providing coupling to fluctuations influencing the dynamics in the passage through the conical intersection governing the S2-S1 relaxation.

The origin of absorptive features in the two-dimensional electronic spectra of rhodopsin.

PubMed

Farag, Marwa H; Jansen, Thomas L C; Knoester, Jasper

2018-05-09

In rhodopsin, the absorption of a photon causes the isomerization of the 11-cis isomer of the retinal chromophore to its all-trans isomer. This isomerization is known to occur through a conical intersection (CI) and the internal conversion through the CI is known to be vibrationally coherent. Recently measured two-dimensional electronic spectra (2DES) showed dramatic absorptive spectral features at early waiting times associated with the transition through the CI. The common two-state two-mode model Hamiltonian was unable to elucidate the origin of these features. To rationalize the source of these features, we employ a three-state three-mode model Hamiltonian where the hydrogen out-of plane (HOOP) mode and a higher-lying electronic state are included. The 2DES of the retinal chromophore in rhodopsin are calculated and compared with the experiment. Our analysis shows that the source of the observed features in the measured 2DES is the excited state absorption to a higher-lying electronic state and not the HOOP mode.

Geometric phase effects in ultracold hydrogen exchange reactions

NASA Astrophysics Data System (ADS)

Naduvalath, Balakrishnan; Croft, James F. E.; Hazra, Jisha; Kendrick, Brian K.

2017-04-01

Electronically non-adiabatic effects play an important role in many chemical reactions. The geometric phase, also known as the Berry's phase, arises from the adiabatic transport of the electronic wave function around a conical intersection between two electronic potential energy surfaces. It is shown that in ultracold collisions of H and D atoms with vibrationally excited HD, inclusion of the geometric phase leads to constructive and destructive interferences between non-reactive and exchange components of the wave function. This results in strong enhancement or suppression of reactivity depending on the final rovibrational levels of the scattered HD molecules. The effect is illustrated for non-rotating and rotationally excited HD molecules in the v = 4 vibrational level for which the H+HD and D+HD reactions occur through a barrierless path. This work was supported in part by NSF Grant PHY-1505557 (N.B.), ARO MURI Grant No. W911NF-12-1-0476 (N.B.), and DOE LDRD Grant No. 20170221ER (B.K.).

Branching and competition of ultrafast photochemical reactions of cyclooctatriene and bicyclooctadiene

NASA Astrophysics Data System (ADS)

Kosma, Kyriaki; Trushin, Sergei A.; Schmid, Wolfram E.; Fuß, Werner

2015-12-01

The main primary photoproducts of cycloocta-1,3,5-triene (COT) are a strained mono-E isomer, Z,Z-octatetraene (OT, from electrocyclic ring opening) and benzene + ethylene. We investigated the excited-state dynamics of COT by time-resolved mass spectroscopy, probing by near-IR photoionization. Unexpectedly, we found only one reaction channel. We assign it to the pericyclic reactions. Evidence for an early branching between this and the Z-E channel is taken from previous resonance Raman data. This channel confirms previously formulated rules on the excited states involved, the reaction path and driving forces and contributes to their rationalization. Bicyclo[4.2.0]octa-2,4-diene undergoes only two pericyclic reactions: ring opening to OT and cleavage to benzene + ethylene. We investigated it briefly in its equilibrium mixture with COT. The data are consistent with a common path on the excited surfaces. Suggestions are made for structures of conical intersections, and driving forces are considered. All processes were found to be barrierless.

Recent progress in density functional theory

NASA Astrophysics Data System (ADS)

Truhlar, Donald

2014-03-01

Ongoing work involves several areas of density functional theory: new methods for computing electronic excitation energies, including a new way to remove spin contamination in the spin-flip Tamm-Dancoff approximation and a configuration-interaction-corrected Tamm-Dancoff Approximation for treating conical intersections; new ways to treat open-shell states, including a reinterpreted broken-symmetry method and multi-configuration Kohn-Sham theory; a new exchange-correlation functional; new tests of density functional theory against databases for electronic transition energies and molecules and solids containing metal atoms; and applications. A selection of results will be presented. I am grateful to the following collaborators for contributions to the ongoing work: Boris Averkiev, Rebecca Carlson, Laura Fernandez, Laura Gagliardi, Chad Hoyer, Francesc Illas, Miho Isegawa, Shaohong Li, Giovanni Li Manni, Sijie Luo, Dongxia Ma, Remi Maurice, Rubén Means-Pañeda, Roberto Peverati, Nora Planas, Prasenjit Seal, Pragya Verma, Bo Wang, Xuefei Xu, Ke R. Yang, Haoyu Yu, Wenjing Zhang, and Jingjing Zheng. Supported in part by the AFOSR and U.S. DOE.

Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism

DOE PAGES

Filatov, Michael; Liu, Fang; Martínez, Todd J.

2017-07-21

The state-averaged (SA) spin restricted ensemble referenced Kohn-Sham (REKS) method and its state interaction (SI) extension, SI-SA-REKS, enable one to describe correctly the shape of the ground and excited potential energy surfaces of molecules undergoing bond breaking/bond formation reactions including features such as conical intersections crucial for theoretical modeling of non-adiabatic reactions. Until recently, application of the SA-REKS and SI-SA-REKS methods to modeling the dynamics of such reactions was obstructed due to the lack of the analytical energy derivatives. Here, the analytical derivatives of the individual SA-REKS and SI-SA-REKS energies are derived. The final analytic gradient expressions are formulated entirelymore » in terms of traces of matrix products and are presented in the form convenient for implementation in the traditional quantum chemical codes employing basis set expansions of the molecular orbitals. Finally, we will describe the implementation and benchmarking of the derived formalism in a subsequent article of this series.« less

Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor.

PubMed

Horke, Daniel A; Li, Quansong; Blancafort, Lluís; Verlet, Jan R R

2013-08-01

Quinones feature prominently as electron acceptors in nature. Their electron-transfer reactions are often highly exergonic, for which Marcus theory predicts reduced electron-transfer rates because of a free-energy barrier that occurs in the inverted region. However, the electron-transfer kinetics that involve quinones can appear barrierless. Here, we consider the intrinsic properties of the para-benzoquinone radical anion, which serves as the prototypical electron-transfer reaction product involving a quinone-based acceptor. Using time-resolved photoelectron spectroscopy and ab initio calculations, we show that excitation at 400 and 480 nm yields excited states that are unbound with respect to electron loss. These excited states are shown to decay on a sub-40 fs timescale through a series of conical intersections with lower-lying excited states, ultimately to form the ground anionic state and avoid autodetachment. From an isolated electron-acceptor perspective, this ultrafast stabilization mechanism accounts for the ability of para-benzoquinone to capture and retain electrons.

The geometric phase controls ultracold chemistry

DOE PAGES

Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

2015-07-30

In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH → H + Omore » 2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.« less

Assessing the 'system' in safe systems-based road designs: using cognitive work analysis to evaluate intersection designs.

PubMed

Cornelissen, M; Salmon, P M; Stanton, N A; McClure, R

2015-01-01

While a safe systems approach has long been acknowledged as the underlying philosophy of contemporary road safety strategies, systemic applications are sparse. This article argues that systems-based methods from the discipline of Ergonomics have a key role to play in road transport design and evaluation. To demonstrate, the Cognitive Work Analysis framework was used to evaluate two road designs - a traditional Melbourne intersection and a cut-through design for future intersections based on road safety safe systems principles. The results demonstrate that, although the cut-through intersection appears different in layout from the traditional intersection, system constraints are not markedly different. Furthermore, the analyses demonstrated that redistribution of constraints in the cut-through intersection resulted in emergent behaviour, which was not anticipated and could prove problematic. Further, based on the lack of understanding of emergent behaviour, similar design induced problems are apparent across both intersections. Specifically, incompatibilities between infrastructure, vehicles and different road users were not dealt with by the proposed design changes. The importance of applying systems methods in the design and evaluation of road transport systems is discussed. Copyright © 2013 Elsevier Ltd. All rights reserved.

Two Approaches of Studying Singularity of Projective Conics

ERIC Educational Resources Information Center

Broyles, Chris; Muller, Lars; Tikoo, Mohan; Wang, Haohao

2010-01-01

The singularity of a projective conic can be determined via the associated matrix to the implicit equation of the projective conic. In this expository article, we will first derive a known result for determining the singularity of a projective conic via the associated matrix. Then we will introduce the concepts of [mu]-basis of the parametric…

Experiment with Conical Pendulum

ERIC Educational Resources Information Center

Tongaonkar, S. S.; Khadse, V. R.

2011-01-01

Conical pendulum is similar to simple pendulum with the difference that the bob, instead of moving back and forth, swings around in a horizontal circle. Thus, in a conical pendulum the bob moves at a constant speed in a circle with the string tracing out a cone. This paper describes an experiment with conical pendulum, with determination of g from…

Theoretical study on mechanism of the photochemical ligand substitution of fac-[Re(I)(bpy)(CO)3(PR3)](+) complex.

PubMed

Saita, Kenichiro; Harabuchi, Yu; Taketsugu, Tetsuya; Ishitani, Osamu; Maeda, Satoshi

2016-07-14

The mechanism of the CO ligand dissociation of fac-[Re(I)(bpy)(CO)3P(OMe)3](+) has theoretically been investigated, as the dominant process of the photochemical ligand substitution (PLS) reactions of fac-[Re(I)(bpy)(CO)3PR3](+), by using the (TD-)DFT method. The PLS reactivity can be determined by the topology of the T1 potential energy surface because the photoexcited complex is able to decay into the T1 state by internal conversions (through conical intersections) and intersystem crossings (via crossing seams) with sufficiently low energy barriers. The T1 state has a character of the metal-to-ligand charge-transfer ((3)MLCT) around the Franck-Condon region, and it changes to the metal-centered ((3)MC) state as the Re-CO bond is elongated and bent. The equatorial CO ligand has a much higher energy barrier to leave than that of the axial CO, so that the axial CO ligand selectively dissociates in the PLS reaction. The single-component artificial force induced reaction (SC-AFIR) search reveals the CO dissociation pathway in photostable fac-[Re(I)(bpy)(CO)3Cl]; however, the dissociation barrier on the T1 state is substantially higher than that in fac-[Re(I)(bpy)(CO)3PR3](+) and the minimum-energy seams of crossings (MESXs) are located before and below the barrier. The MESXs have also been searched in fac-[Re(I)(bpy)(CO)3PR3](+) and no MESXs were found before and below the barrier.

Quantitative studies on inner interfaces in conical metal joints using hard x-ray inline phase contrast radiography

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

Zabler, S.; Rack, T.; Nelson, K.

2010-10-15

Quantitative investigation of micrometer and submicrometer gaps between joining metal surfaces is applied to conical plug-socket connections in dental titanium implants. Microgaps of widths well beyond the resolving power of industrial x-ray systems are imaged by synchrotron phase contrast radiography. Furthermore, by using an analytical model for the relatively simple sample geometry and applying it to numerical forward simulations of the optical Fresnel propagation, we show that quantitative measurements of the microgap width down to 0.1 {mu}m are possible. Image data recorded at the BAMline (BESSY-II light source, Germany) are presented, with the resolving power of the imaging system beingmore » 4 {mu}m in absorption mode and {approx}14 {mu}m in phase contrast mode (z{sub 2}=0.74 m). Thus, phase contrast radiography, combined with numerical forward simulations, is capable of measuring the widths of gaps that are two orders of magnitude thinner than the conventional detection limit.« less

Electromagnon with Sensitive Terahertz Magnetochromism in a Room-Temperature Magnetoelectric Hexaferrite

DOE PAGES

Chun, Sae Hwan; Shin, Kwang Woo; Kim, Hyung Joon; ...

2018-01-12

An electromagnon in the magnetoelectric (ME) hexaferrite Ba 0.5Sr 2.5Co 2Fe 24O 41 (Co 2 Z-type) single cystal is identified by time-domain terahertz (THz) spectroscopy. The associated THz resonance is active on the electric field (E ω) of the THz light parallel to the c axis (∥ [001]), whose spectral weight develops at a markedly high temperature, coinciding with a transverse conical magnetic order below 410 K. The resonance frequency of 1.03 THz at 20 K changes -8.7% and +5.8% under external magnetic field (H) of 2 kOe along [001] and [120], respectively. A model Hamiltonian describing the conical magneticmore » order elucidates that the dynamical ME effect arises from antiphase motion of spins which are coupled with modulating electric dipoles through the exchange striction mechanism. Moreover, the calculated frequency shift points to the key role of the Dzyaloshinskii-Moriya interaction that is altered by static electric polarization change under different H.« less

Electromagnon with Sensitive Terahertz Magnetochromism in a Room-Temperature Magnetoelectric Hexaferrite

NASA Astrophysics Data System (ADS)

Chun, Sae Hwan; Shin, Kwang Woo; Kim, Hyung Joon; Jung, Seonghoon; Park, Jaehun; Bahk, Young-Mi; Park, Hyeong-Ryeol; Kyoung, Jisoo; Choi, Da-Hye; Kim, Dai-Sik; Park, Gun-Sik; Mitchell, J. F.; Kim, Kee Hoon

2018-01-01

An electromagnon in the magnetoelectric (ME) hexaferrite Ba0.5Sr2.5Co2Fe24O41 (Co2Z -type) single crystal is identified by time-domain terahertz (THz) spectroscopy. The associated THz resonance is active on the electric field (Eω ) of the THz light parallel to the c axis (∥ [001 ] ), whose spectral weight develops at a markedly high temperature, coinciding with a transverse conical magnetic order below 410 K. The resonance frequency of 1.03 THz at 20 K changes -8.7 % and +5.8 % under external magnetic field (H ) of 2 kOe along [001] and [120], respectively. A model Hamiltonian describing the conical magnetic order elucidates that the dynamical ME effect arises from antiphase motion of spins which are coupled with modulating electric dipoles through the exchange striction mechanism. Moreover, the calculated frequency shift points to the key role of the Dzyaloshinskii-Moriya interaction that is altered by static electric polarization change under different H .

Electromagnon with Sensitive Terahertz Magnetochromism in a Room-Temperature Magnetoelectric Hexaferrite

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

Chun, Sae Hwan; Shin, Kwang Woo; Kim, Hyung Joon

An electromagnon in the magnetoelectric (ME) hexaferrite Ba 0.5Sr 2.5Co 2Fe 24O 41 (Co 2 Z-type) single cystal is identified by time-domain terahertz (THz) spectroscopy. The associated THz resonance is active on the electric field (E ω) of the THz light parallel to the c axis (∥ [001]), whose spectral weight develops at a markedly high temperature, coinciding with a transverse conical magnetic order below 410 K. The resonance frequency of 1.03 THz at 20 K changes -8.7% and +5.8% under external magnetic field (H) of 2 kOe along [001] and [120], respectively. A model Hamiltonian describing the conical magneticmore » order elucidates that the dynamical ME effect arises from antiphase motion of spins which are coupled with modulating electric dipoles through the exchange striction mechanism. Moreover, the calculated frequency shift points to the key role of the Dzyaloshinskii-Moriya interaction that is altered by static electric polarization change under different H.« less

Time dependent response of low velocity impact induced composite conical shells under multiple delamination

NASA Astrophysics Data System (ADS)

Dey, Sudip; Karmakar, Amit

2014-02-01

This paper presents the time dependent response of multiple delaminated angle-ply composite pretwisted conical shells subjected to low velocity normal impact. The finite element formulation is based on Mindlin's theory incorporating rotary inertia and effects of transverse shear deformation. An eight-noded isoparametric plate bending element is employed to satisfy the compatibility of deformation and equilibrium of resultant forces and moments at the delamination crack front. A multipoint constraint algorithm is incorporated which leads to asymmetric stiffness matrices. The modified Hertzian contact law which accounts for permanent indentation is utilized to compute the contact force, and the time dependent equations are solved by Newmark's time integration algorithm. Parametric studies are conducted with respect to triggering parameters like laminate configuration, location of delamination, angle of twist, velocity of impactor, and impactor's displacement for centrally impacted shells.

27 CFR 9.163 - Salado Creek.

Code of Federal Regulations, 2014 CFR

2014-04-01

..., proceed northwest for 4.25 miles along Interstate 5 to its junction with an unnamed light duty road in section 35, T5S, R7E; then (2) Follow the unnamed light duty road for approximately 0.45 miles, going east... southeast approximately 0.3 miles along the Delta-Mendota Canal levee road to its intersection with an...

Investigation of Hypersonic Nozzle Flow Uniformity Using NO Fluorescence

NASA Technical Reports Server (NTRS)

O'Byrne, S.; Danehy, P. J.; Houwing, A. F. P.

2005-01-01

Planar laser-induced fluorescence visualisation is used to investigate nonuniformities in the flow of a hypersonic conical nozzle. Possible causes for the nonuniformity are outlined and investigated, and the problem is shown to be due to a small step at the nozzle throat. Entrainment of cold boundary layer gas is postulated as the cause of the signal nonuniformity.

Highway Funding 1995-1998

DOT National Transportation Integrated Search

2012-07-01

This document describes the system requirements for three connected vehicle V2I safety applications related to intersection safety and speed management. Specifically, these applications include: Red-Light Violation Warning (RLVW) Stop Sign Ga...

Concurrent audio-visual feedback for supporting drivers at intersections: A study using two linked driving simulators.

PubMed

Houtenbos, M; de Winter, J C F; Hale, A R; Wieringa, P A; Hagenzieker, M P

2017-04-01

A large portion of road traffic crashes occur at intersections for the reason that drivers lack necessary visual information. This research examined the effects of an audio-visual display that provides real-time sonification and visualization of the speed and direction of another car approaching the crossroads on an intersecting road. The location of red blinking lights (left vs. right on the speedometer) and the lateral input direction of beeps (left vs. right ear in headphones) corresponded to the direction from where the other car approached, and the blink and beep rates were a function of the approaching car's speed. Two driving simulators were linked so that the participant and the experimenter drove in the same virtual world. Participants (N = 25) completed four sessions (two with the audio-visual display on, two with the audio-visual display off), each session consisting of 22 intersections at which the experimenter approached from the left or right and either maintained speed or slowed down. Compared to driving with the display off, the audio-visual display resulted in enhanced traffic efficiency (i.e., greater mean speed, less coasting) while not compromising safety (i.e., the time gap between the two vehicles was equivalent). A post-experiment questionnaire showed that the beeps were regarded as more useful than the lights. It is argued that the audio-visual display is a promising means of supporting drivers until fully automated driving is technically feasible. Copyright © 2016. Published by Elsevier Ltd.

Note: a novel vacuum ultraviolet light source assembly with aluminum-coated electrodes for enhancing the ionization efficiency of photoionization mass spectrometry.

PubMed

Zhu, Zhixiang; Wang, Jian; Qiu, Keqing; Liu, Chengyuan; Qi, Fei; Pan, Yang

2014-04-01

A novel vacuum ultraviolet (VUV) light source assembly (VUVLSA) for enhancing the ionization efficiency of photoionization mass spectrometer has been described. The VUVLSA composes of a Krypton lamp and a pair of disk electrodes with circular center cavities. The two interior surfaces that face the photoionization region were aluminum-coated. VUV light can be reflected back and forth in the photoionization region between the electrodes, thus the photoionization efficiency can be greatly enhanced. The performances of two different shaped electrodes, the coated double flat electrodes (DFE), and double conical electrodes, were studied. We showed that the signal amplification of coated DFE is around 4 times higher than that of uncoated electrodes without VUV light reflection. The relationship between the pressure of ionization chamber and mass signal enhancement has also been studied.

Gender, Narratives and Intersectionality: can Personal Experience Approaches to Research Contribute to "Undoing Gender"?

NASA Astrophysics Data System (ADS)

Cole, Barbara Ann

2009-11-01

This paper examines narrative methodologies as one approach to exploring issues of gender, education and social justice and, particularly, insights into "undoing gender". It furthermore examines the possibilities of exploring gender and its multiple intersections in a range of global and policy contexts through the use of personal experience approaches. The "storying" of lived experience is examined as a means of challenging dominant discourses which can construct and other individuals and groups in relation to many aspects of gender and education. Drawing on intersectionality, as a complex and developing feminist theory, the paper considers ways in which narrative can illuminate often hidden complexities while seeking to avoid generalisations and essentialisms. The difficulties of using narrative in relation to these aims are explored in the light of the warnings of feminist writers such as Michele Fine and bell hooks. The paper briefly considers narrative as both methodology and phenomenon, and finally, drawing on critical discourse analysis, discusses the potential of intersectionality and narrative in relation to undoing gender.

Red-light running violation prediction using observational and simulator data.

PubMed

Jahangiri, Arash; Rakha, Hesham; Dingus, Thomas A

2016-11-01

In the United States, 683 people were killed and an estimated 133,000 were injured in crashes due to running red lights in 2012. To help prevent/mitigate crashes caused by running red lights, these violations need to be identified before they occur, so both the road users (i.e., drivers, pedestrians, etc.) in potential danger and the infrastructure can be notified and actions can be taken accordingly. Two different data sets were used to assess the feasibility of developing red-light running (RLR) violation prediction models: (1) observational data and (2) driver simulator data. Both data sets included common factors, such as time to intersection (TTI), distance to intersection (DTI), and velocity at the onset of the yellow indication. However, the observational data set provided additional factors that the simulator data set did not, and vice versa. The observational data included vehicle information (e.g., speed, acceleration, etc.) for several different time frames. For each vehicle approaching an intersection in the observational data set, required data were extracted from several time frames as the vehicle drew closer to the intersection. However, since the observational data were inherently anonymous, driver factors such as age and gender were unavailable in the observational data set. Conversely, the simulator data set contained age and gender. In addition, the simulator data included a secondary (non-driving) task factor and a treatment factor (i.e., incoming/outgoing calls while driving). The simulator data only included vehicle information for certain time frames (e.g., yellow onset); the data did not provide vehicle information for several different time frames while vehicles were approaching an intersection. In this study, the random forest (RF) machine-learning technique was adopted to develop RLR violation prediction models. Factor importance was obtained for different models and different data sets to show how differently the factors influence the performance of each model. A sensitivity analysis showed that the factor importance to identify RLR violations changed when data from different time frames were used to develop the prediction models. TTI, DTI, the required deceleration parameter (RDP), and velocity at the onset of a yellow indication were among the most important factors identified by both models constructed using observational data and simulator data. Furthermore, in addition to the factors obtained from a point in time (i.e., yellow onset), valuable information suitable for RLR violation prediction was obtained from defined monitoring periods. It was found that period lengths of 2-6m contributed to the best model performance. Copyright © 2016 Elsevier Ltd. All rights reserved.

Conical pitch angle distributions of very low-energy ion fluxes observed by ISEE 1

NASA Technical Reports Server (NTRS)

Horwitz, J. L.; Baugher, C. R.; Chappell, C. R.; Shelley, E. G.; Young, D. T.

1982-01-01

Observations are presented of conical distributions of low-energy ion fluxes from throughout the magnetosphere. The data were provided by the plasma composition experiment (PCE) on ISEE 1. ISEE 1 was launched in October 1977 into a highly elliptical orbit with a 30 deg inclination to the equator and 22.5 earth radii apogee. Particular attention is given to data taken when the instrument was in its thermal plasma mode, sampling ions in the energy per charge range 0-100 eV/e. Attention is given to examples of conical distributions in 0- to 100-eV/e ions, the occurrence of conical distributions of 0- to 100-eV ions in local time-geocentric distance and latitude-geocentric distance coordinates, the cone angles in 0- to 100-eV ion conics, Kp distributions of 0- to 100-eV ion conics, and some compositional aspects of 0- to 100-eV ion conics.

A real-time traffic control method for the intersection with pre-signals under the phase swap sorting strategy

PubMed Central

Bie, Yiming; Wang, Yinhai

2017-01-01

To deal with the conflicts between left-turn and through traffic streams and increase the discharge capacity, this paper addresses the pre-signal which is implemented at a signalized intersection. Such an intersection with pre-signal is termed as a tandem intersection. For the tandem intersection, phase swap sorting strategy is deemed as the most effective phasing scheme in view of some exclusive merits, such as easier compliance of drivers, and shorter sorting area. However, a major limitation of the phase swap sorting strategy is not considered in previous studies: if one or more vehicle is left at the sorting area after the signal light turns to red, the capacity of the approach would be dramatically dropped. Besides, previous signal control studies deal with a fixed timing plan that is not adaptive with the fluctuation of traffic flows. Therefore, to cope with these two gaps, this paper firstly takes an in-depth analysis of the traffic flow operations at the tandem intersection. Secondly, three groups of loop detectors are placed to obtain the real-time vehicle information for adaptive signalization. The lane selection behavior in the sorting area is considered to set the green time for intersection signals. With the objective of minimizing the vehicle delay, the signal control parameters are then optimized based on a dynamic programming method. Finally, numerical experiments show that average vehicle delay and maximum queue length can be reduced under all scenarios. PMID:28531198

A real-time traffic control method for the intersection with pre-signals under the phase swap sorting strategy.

PubMed

Bie, Yiming; Liu, Zhiyuan; Wang, Yinhai

2017-01-01

To deal with the conflicts between left-turn and through traffic streams and increase the discharge capacity, this paper addresses the pre-signal which is implemented at a signalized intersection. Such an intersection with pre-signal is termed as a tandem intersection. For the tandem intersection, phase swap sorting strategy is deemed as the most effective phasing scheme in view of some exclusive merits, such as easier compliance of drivers, and shorter sorting area. However, a major limitation of the phase swap sorting strategy is not considered in previous studies: if one or more vehicle is left at the sorting area after the signal light turns to red, the capacity of the approach would be dramatically dropped. Besides, previous signal control studies deal with a fixed timing plan that is not adaptive with the fluctuation of traffic flows. Therefore, to cope with these two gaps, this paper firstly takes an in-depth analysis of the traffic flow operations at the tandem intersection. Secondly, three groups of loop detectors are placed to obtain the real-time vehicle information for adaptive signalization. The lane selection behavior in the sorting area is considered to set the green time for intersection signals. With the objective of minimizing the vehicle delay, the signal control parameters are then optimized based on a dynamic programming method. Finally, numerical experiments show that average vehicle delay and maximum queue length can be reduced under all scenarios.

Morphological record of oxygenic photosynthesis in conical stromatolites.

PubMed

Bosak, Tanja; Liang, Biqing; Sim, Min Sub; Petroff, Alexander P

2009-07-07

Conical stromatolites are thought to be robust indicators of the presence of photosynthetic and phototactic microbes in aquatic environments as early as 3.5 billion years ago. However, phototaxis alone cannot explain the ubiquity of disrupted, curled, and contorted laminae in the crests of many Mesoproterozoic, Paleoproterozoic, and some Archean conical stromatolites. Here, we demonstrate that cyanobacterial production of oxygen in the tips of modern conical aggregates creates contorted laminae and submillimeter-to-millimeter-scale enmeshed bubbles. Similarly sized fossil bubbles and contorted laminae may be present only in the crestal zones of some conical stromatolites 2.7 billion years old or younger. This implies not only that cyanobacteria built Proterozoic conical stromatolites but also that fossil bubbles may constrain the timing of the evolution of oxygenic photosynthesis.

Highway Performance Monitoring System reassessment

DOT National Transportation Integrated Search

2012-05-01

This document describes the concept of operations for three connected vehicle V2I safety applications related to intersection safety and speed management. Specifically, these applications include: Red-Light Violation Warning (RLVW) Stop Sign ...

Comparison of methods for measurement and retrieval of SIF with tower based sensors

NASA Astrophysics Data System (ADS)

Kornfeld, A.; Berry, J. A.

2017-12-01

As the popularity of solar induced fluorescence (SIF) measurement increases, the number of ways to measure and process the data has also increased, leaving a bewildering array of choices for the practitioner. To help clarify the advantages and disadvantages of several methods, we modified our foreoptic, Rotaprism, to measure spectra using either bi-hemispheric (cosine correcting diffusers on both upward and downward views) or hemispherical-conical views (only the upward view is cosine corrected). To test spatial sensitivity of each optic, we recorded data after moving the device relatively short distances - 1-2x the sensor's height above the canopy. When using conical measurements, measured SIF varied by as much as 100% across locations, whereas bi-hemispherical measurements were nearly unaffected by the moves. Reflectance indexes such as NDVI, PRI, NIRv were also spatially sensitive for the conical measurements. We also compared retrievals using either the O2A band or the adjacent Fraunhofer band to examine the relative advantages of each retrieval band for full-day retrievals. Finally, we investigated how choice of retrieval algorithm (SVD, FLD, SFM) affects the computed results. The primary site for this experiment was a California bunchgrass/tallgrass field. Additional data from the Brazilian Amazon will also be used, where appropriate, to support our conclusions.

Wind measurement system

NASA Technical Reports Server (NTRS)

Cliff, W. C.; Huffaker, R. M.; Dahm, W. K.; Thomson, J. A. L.; Lawrence, T. R.; Krause, M. C.; Wilson, D. J. (Inventor)

1976-01-01

A system for remotely measuring vertical and horizontal winds present in discrete volumes of air at selected locations above the ground is described. A laser beam is optically focused in range by a telescope, and the output beam is conically scanned at an angle about a vertical axis. The backscatter, or reflected light, from the ambient particulates in a volume of air, the focal volume, is detected for shifts in wavelength, and from these, horizontal and vertical wind components are computed.

Production of radially and azimuthally polarized polychromatic beams

NASA Astrophysics Data System (ADS)

Shoham, A.; Vander, R.; Lipson, S. G.

2006-12-01

We describe a system that efficiently provides radially or azimuthally polarized radiation from a randomly polarized source. It is constructed from two conical reflectors and a cylindrical sheet of polarizing film. Envisaged applications include a microscope illuminator for high-resolution surface plasmon resonance microscopy, illumination for high-resolution microlithography, and efficient coupling of a laser source to hollow optical fibers. The angular coherence function of light polarized by the device was measured to evaluate its usefulness for these applications.

Optical profilometer using laser based conical triangulation for inspection of inner geometry of corroded pipes in cylindrical coordinates

NASA Astrophysics Data System (ADS)

Buschinelli, Pedro D. V.; Melo, João. Ricardo C.; Albertazzi, Armando; Santos, João. M. C.; Camerini, Claudio S.

2013-04-01

An axis-symmetrical optical laser triangulation system was developed by the authors to measure the inner geometry of long pipes used in the oil industry. It has a special optical configuration able to acquire shape information of the inner geometry of a section of a pipe from a single image frame. A collimated laser beam is pointed to the tip of a 45° conical mirror. The laser light is reflected in such a way that a radial light sheet is formed and intercepts the inner geometry and forms a bright laser line on a section of the inspected pipe. A camera acquires the image of the laser line through a wide angle lens. An odometer-based triggering system is used to shot the camera to acquire a set of equally spaced images at high speed while the device is moved along the pipe's axis. Image processing is done in real-time (between images acquisitions) thanks to the use of parallel computing technology. The measured geometry is analyzed to identify corrosion damages. The measured geometry and results are graphically presented using virtual reality techniques and devices as 3D glasses and head-mounted displays. The paper describes the measurement principles, calibration strategies, laboratory evaluation of the developed device, as well as, a practical example of a corroded pipe used in an industrial gas production plant.

Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model.

PubMed

Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

2015-10-14

Ammonia adopts sp(3) hybridization (HNH bond angle 108°) whereas the other members of the XH3 series PH3, AsH3, SbH3, and BiH3 instead prefer octahedral bond angles of 90-93°. We use a recently developed general diabatic description for closed-shell chemical reactions, expanded to include Rydberg states, to understand the geometry, spectroscopy and inversion reaction profile of these molecules, fitting its parameters to results from Equation of Motion Coupled-Cluster Singles and Doubles (EOM-CCSD) calculations using large basis sets. Bands observed in the one-photon absorption spectrum of NH3 at 18.3 eV, 30 eV, and 33 eV are reassigned from Rydberg (formally forbidden) double excitations to valence single-excitation resonances. Critical to the analysis is the inclusion of all three electronic states in which two electrons are placed in the lone-pair orbital n and/or the symmetric valence σ* antibonding orbital. An illustrative effective two-state diabatic model is also developed containing just three parameters: the resonance energy driving the high-symmetry planar structure, the reorganization energy opposing it, and HXH bond angle in the absence of resonance. The diabatic orbitals are identified as sp hybrids on X; for the radical cations XH3(+) for which only 2 electronic states and one conical intersection are involved, the principle of orbital following dictates that the bond angle in the absence of resonance is acos(-1/5) = 101.5°. The multiple states and associated multiple conical intersection seams controlling the ground-state structure of XH3 renormalize this to acos[3 sin(2)(2(1/2)atan(1/2))/2 - 1/2] = 86.7°. Depending on the ratio of the resonance energy to the reorganization energy, equilibrium angles can vary from these limiting values up to 120°, and the anomalously large bond angle in NH3 arises because the resonance energy is unexpectedly large. This occurs as the ordering of the lowest Rydberg orbital and the σ* orbital swap, allowing Rydbergization to compresses σ* to significantly increase the resonance energy. Failure of both the traditional and revised versions of the valence-shell electron-pair repulsion (VSEPR) theory to explain the ground-state structures in simple terms is attributed to exclusion of this key physical interaction.

DE 1 and Viking observations associated with electron conical distributions

NASA Technical Reports Server (NTRS)

Menietti, J. D.; Weimer, D. R.; Andre, M.; Eliasson, L.

1994-01-01

Data from the electron detectors on board the Swedish Viking satellite launched during a period of low solar activity and from the Dynamic Explorer (DE) 1 satellite launched during active solar coditions have been examined for the occurrence and location of electron conical distributions and several conclusions can be drawn. First, we note that most of the best examples of electron conics observed by the V-3 experiment onboard Viking occurred in the afternoon sector in the range of magneitc local time 14 hours less than Magnetic Local Time (MLT) less than 18 hours, at midaltitudes in the range 10,000 km less than h less than 13,500 km, with few occurring in the nightside auroral region, a region poorly sampled at altitudes greater than 5000 km. For the Viking data there is an association of electron conics with upper hybrid waves. DE 1 observations made by the high-altitude plasma instrument (HAPI) indicate that electron conics were observed in the midmorning sector and the late evening sector, and as has been reported earlier, the correlation with upper hybird waves was good. The HAPI did not sample the afternoon sector. The electon conics observed on both satellites occurred in the presence of at least a modest (several kilovolts) potential difference beneath the satellite with a maximum energy that was usually, but not always, equal to or greater than the maximum energy of the electron conics. Two independent sets of observations by DE 1 suggest two distinct production mechanisms for electron conics. Examiniation of DE 1 electric field measurements from the plasma wave instrument during the observation of electron conics show simultaneous parallel oscillations in the frequency range of 0.2 Hz less than f less than 0.5 Hz during one and perhaps two of four events examined, and upper hybrid waves were observed on all four events. In addition, recent observations of '90-deg' electron conics associated with auroral kilometric radiation source regions suggest a perpendicular heating mechanism produced by wave-particle interaction. Such distributions may be observed as electron conics at higher altitudes. These results suggest more than one possible source mechanism may be responsible for electron conics.

27 CFR 9.151 - Puget Sound.

Code of Federal Regulations, 2011 CFR

2011-04-01

... county line comes closest to an unnamed secondary road (referred to in the petition as Silver Lake Road... south along State Highway 92 approximately 3 miles to its intersection with an unnamed light duty road...

27 CFR 9.151 - Puget Sound.

Code of Federal Regulations, 2010 CFR

2010-04-01

... county line comes closest to an unnamed secondary road (referred to in the petition as Silver Lake Road... south along State Highway 92 approximately 3 miles to its intersection with an unnamed light duty road...

The impact of red light cameras on safety in Arizona.

PubMed

Shin, Kangwon; Washington, Simon

2007-11-01

Red light cameras (RLCs) have been used in a number of US cities to yield a demonstrable reduction in red light violations; however, evaluating their impact on safety (crashes) has been relatively more difficult. Accurately estimating the safety impacts of RLCs is challenging for several reasons. First, many safety related factors are uncontrolled and/or confounded during the periods of observation. Second, "spillover" effects caused by drivers reacting to non-RLC equipped intersections and approaches can make the selection of comparison sites difficult. Third, sites selected for RLC installation may not be selected randomly, and as a result may suffer from the regression to the mean bias. Finally, crash severity and resulting costs need to be considered in order to fully understand the safety impacts of RLCs. Recognizing these challenges, a study was conducted to estimate the safety impacts of RLCs on traffic crashes at signalized intersections in the cities of Phoenix and Scottsdale, Arizona. Twenty-four RLC equipped intersections in both cities are examined in detail and conclusions are drawn. Four different evaluation methodologies were employed to cope with the technical challenges described in this paper and to assess the sensitivity of results based on analytical assumptions. The evaluation results indicated that both Phoenix and Scottsdale are operating cost-effective installations of RLCs: however, the variability in RLC effectiveness within jurisdictions is larger in Phoenix. Consistent with findings in other regions, angle and left-turn crashes are reduced in general, while rear-end crashes tend to increase as a result of RLCs.

Understanding Conic Sections Using Alternate Graph Paper

ERIC Educational Resources Information Center

Brown, Elizabeth M.; Jones, Elizabeth

2006-01-01

This article describes two alternative coordinate systems and their use in graphing conic sections. This alternative graph paper helps students explore the idea of eccentricity using the definitions of the conic sections.

Development, characterization, and modeling of ballistic impact on composite laminates under compressive pre-stress

NASA Astrophysics Data System (ADS)

Kerr-Anderson, Eric

Structural composite laminates were ballistically impacted while under in-plane compressive pre-stress. Residual properties, damage characterization, and energy absorption were compared to determine synergistic effects of in-plane compressive pre-stress and impact velocity. A fixture was developed to apply in-plane compressive loads up to 30 tons to structural composites during an impact event using a single-stage light-gas gun. Observed failure modes included typical conical delamination, the development of an impact initiated shear crack (IISC), and the shear failure of a pre-stressed composite due to impact. It was observed that the compressive failure threshold quadratically decreased in relation to the impact velocity up to velocities that caused partial penetration. For all laminates impacted at velocities causing partial or full penetration up to 350 ms-1, the failure threshold was consistent and used as an experimental normalization. Samples impacted below 65% of the failure threshold witnessed no significant change in damage morphology or residual properties when compared to typical conical delamination. Samples impacted above 65% of the failure threshold witnessed additional damage in the form of a shear crack extending perpendicular to the applied load from the point of impact. The presence of an IISC reduced the residual properties and even caused failure upon impact at extreme combinations. Four failure envelopes have been established as: transient failure, steady state failure, impact initiated shear crack, and conical damage. Boundaries and empirically based equations for residual compressive strength have been developed for each envelope with relation to two E-glass/vinyl ester laminate systems. Many aspects of pre-stressed impact have been individually examined, but there have been no comprehensive examinations of pre-stressed impact. This research has resulted in the exploration and characterization of compressively pre-stressed damage for impact velocities resulting in reflection, partial penetration, and penetration at pre-stress levels resulting in conical damage, shear cracking, and failure.

Polarization Control of Morphological Pattern Orientation During Light-Mediated Synthesis of Nanostructured Se–Te Films

DOE PAGES

Carim, Azhar I.; Batara, Nicolas A.; Premkumar, Anjali; ...

2015-11-23

The template-free growth of well ordered, highly anisotropic lamellar structures has been demonstrated during the photoelectrodeposition of Se–Te films, wherein the orientation of the pattern can be directed by orienting the linear polarization of the incident light. This control mechanism was investigated further herein by examining the morphologies of films grown photoelectrochemically using light from two simultaneous sources that had mutually different linear polarizations. Photoelectrochemical growth with light from two nonorthogonally polarized same-wavelength sources generated lamellar morphologies in which the long axes of the lamellae were oriented parallel to the intensity-weighted average polarization orientation. Simulations of light scattering at themore » solution–film interface were consistent with this observation. Computer modeling of these growths using combined full-wave electromagnetic and Monte Carlo growth simulations successfully reproduced the experimental morphologies and quantitatively agreed with the pattern orientations observed experimentally by considering only the fundamental light-material interactions during growth. Deposition with light from two orthogonally polarized same-wavelength as well as different-wavelength sources produced structures that consisted of two intersecting sets of orthogonally oriented lamellae in which the relative heights of the two sets could be varied by adjusting the relative source intensities. Simulations of light absorption were performed in analogous, idealized intersecting lamellar structures and revealed that the lamellae preferentially absorbed light polarized with the electric field vector along their long axes. In conclusion, these data sets cumulatively indicate that anisotropic light scattering and light absorption generated by the light polarization produces the anisotropic morphology and that the resultant morphology is a function of all illumination inputs despite differing polarizations.« less

Improved out-coupling efficiency of organic light emitting diodes fabricated on a TiO2 planarization layer with embedded Si oxide nanostructures

NASA Astrophysics Data System (ADS)

Sung, Young Hoon; Jung, Pil-Hoon; Han, Kyung-Hoon; Kim, Yang Doo; Kim, Jang-Joo; Lee, Heon

2017-10-01

In order to increase the out-coupling efficiency of organic light emitting diodes, conical Si oxide nanostructures were formed on a glass substrate using nanoimprint lithography with hydrogen silsesquioxane. Then, the substrate was planarized with TiO2 nanoparticles. Since TiO2 nanoparticles have a higher refractive index than Si oxide, the surface of substrate is physically flat, but optically undulated in a manner that enables optical scattering and suppression of total internal reflection. Subsequently, OLEDs formed on a substrate with nanostructured Si oxide and a TiO2 planarization layer exhibit a 25% increase in out-coupling efficiency by suppressing total internal reflection.

Prediction of PM 10 concentrations at urban traffic intersections using semi-empirical box modelling with instantaneous velocity and acceleration

NASA Astrophysics Data System (ADS)

He, Hong-di; Lu, Wei-Zhen; Xue, Yu

2009-12-01

At urban traffic intersections, vehicles frequently stop with idling engines during the red-light period and speed up rapidly during the green-light period. The changes of driving patterns (i.e., idle, acceleration, deceleration and cruising patterns) generally produce uncertain emission. Additionally, the movement of pedestrians and the influence of wind further result in the random dispersion of pollutants. It is, therefore, too complex to simulate the effects of such dynamics on the resulting emission using conventional deterministic causal models. For this reason, a modified semi-empirical box model for predicting the PM 10 concentrations on roadsides is proposed in this paper. The model constitutes three parts, i.e., traffic, emission and dispersion components. The traffic component is developed using a generalized force traffic model to obtain the instantaneous velocity and acceleration when vehicles move through intersections. Hence the distribution of vehicle emission in street canyon during the green-light period is calculated. Then the dispersion component is investigated using a semi-empirical box model combining average wind speed, box height and background concentrations. With these considerations, the proposed model is applied and evaluated using measured data at a busy traffic intersection in Mong Kok, Hong Kong. In order to test the performance of the model, two situations, i.e., the data sets within a sunny day and between two sunny days, were selected to examine the model performance. The predicted values are generally well coincident with the observed data during different time slots except several values are overestimated or underestimated. Moreover, two types of vehicles, i.e., buses and petrol cars, are separately taken into account in the study. Buses are verified to contribute most to the emission in street canyons, which may be useful in evaluating the impact of vehicle emissions on the ambient air quality when there is a significant change in a specific vehicular population.

An evaluation of red light camera (photo-red) enforcement programs in Virginia : a report in response to a request by Virginia's Secretary of Transportation.

DOT National Transportation Integrated Search

2005-01-01

Red light running, which is defined as the act of a motorist entering an intersection after the traffic signal has turned red, caused almost 5,000 crashes in Virginia in 2003, resulting in at least 18 deaths and more than 3,800 injuries. In response ...

Dual beam translator for use in Laser Doppler anemometry

DOEpatents

Brudnoy, David M.

1987-01-01

A method and apparatus for selectively translating the path of at least one pair of light beams in a Laser Doppler anemometry device whereby the light paths are translated in a direction parallel to the original beam paths so as to enable attainment of spacial coincidence of the two intersection volumes and permit accurate measurements of Reynolds shear stress.

Dual beam translator for use in Laser Doppler anemometry

DOEpatents

Brudnoy, D.M.

1984-04-12

A method and apparatus for selectively translating the path of at least one pair of light beams in a Laser Doppler anemometry device whereby the light paths are translated in a direction parallel to the original beam paths so as to enable attainment of spacial coincidence of the two intersection volumes and permit accurate measurements of Reynolds shear stress.

Production of plasmas by long-wavelength lasers

DOEpatents

Dawson, J.M.

1973-10-01

A long-wavelength laser system for heating low-density plasma to high temperatures is described. In one embodiment, means are provided for repeatedly receiving and transmitting long-wavelength laser light in successive stages to form a laser-light beam path that repeatedly intersects with the equilibrium axis of a magnetically confined toroidal plasma column for interacting the laser light with the plasma for providing controlled thermonuclear fusion. Embodiments for heating specific linear plasmas are also provided. (Official Gazette)

Generation of attosecond electron packets via conical surface plasmon electron acceleration

PubMed Central

Greig, S. R.; Elezzabi, A. Y.

2016-01-01

We present a method for the generation of high kinetic energy attosecond electron packets via magnetostatic and aperture filtering of conical surface plasmon (SP) accelerated electrons. The conical SP waves are excited by coupling an ultrafast radially polarized laser beam to a conical silica lens coated with an Ag film. Electromagnetic and particle tracking models are employed to characterize the ultrafast electron packets. PMID:26764129

Driving simulator evaluation of drivers' response to intersections with dynamic use of exit-lanes for left-turn.

PubMed

Zhao, Jing; Yun, Meiping; Zhang, H Michael; Yang, Xiaoguang

2015-08-01

With the worsening of urban traffic congestion in large cities around the world, researchers have been looking for unconventional designs and/or controls to squeeze more capacity out of intersections, the most common bottlenecks of the road network. One of these innovative intersection designs, known as the exit-lanes for left-turn (EFL), opens up exit-lanes to be used by left-turn traffic with the help of an additional traffic light installed at the median opening (the pre-signal). This paper studies how drivers respond to EFL intersections with a series of driving simulator experiments. In our experiments, 64 drivers were recruited and divided into two groups. One group is trained to use the EFL while the other group is not. In addition, four scenarios were considered with different sign and marking designs and traffic conditions in the experiments. Results indicate that drivers show certain amount of confusion and hesitation when encountering an EFL intersection for the first time. They can be overcome, however, by increasing exposure through driver education or by cue provided from other vehicles. Moreover, drivers unfamiliar with EFL operation can make a left turn using the conventional left-turn lanes as usual. The EFL operation is not likely to pose any serious safety risk of the intersection in real life operations. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effect of light with different wavelengths on Nostoc flagelliforme cells in liquid culture.

PubMed

Dai, Yu-Jie; Li, Jing; Wei, Shu-Mei; Chen, Nan; Xiao, Yu-Peng; Tan, Zhi-Lei; Jia, Shi-Ru; Yuan, Nan-Nan; Tan, Ning; Song, Yi-Jie

2013-04-01

The effects of lights with different wavelengths on the growth and the yield of extracellular polysaccharides of Nostoc flagelliforme cells were investigated in a liquid cultivation. N. flagelliforme cells were cultured for 16 days in 500 ml conical flasks containing BG11 culture medium under 27 micromol·m-2·s-1 of light intensity and 25 degrees C on a rotary shaker (140 rpm). The chlorophyll a, phycocyanin, allophycocyanin, and phycoerythrin contents in N. flagelliforme cells under the lights of different wavelengths were also measured. It was found that the cell biomass and the yield of polysaccharide changed with different wavelengths of light. The biomass and the yield of extracellular polysaccharides under the red or violet light were higher than those under other light colors. Chlorophyll a, phycocyanin, and allophycocyanin are the main pigments in N. flagelliforme cells. The results showed that N. flagelliforme, like other cyanobacteria, has the ability of adjusting the contents and relative ratio of its pigments with the light quality. As a conclusion, N. flagelliforme cells favor red and violet lights and perform the complementary chromatic adaptation ability to acclimate to the changes of the light quality in the environment.

Inversion of the conical Radon transform with vertices on a surface of revolution arising in an application of a Compton camera

NASA Astrophysics Data System (ADS)

Moon, Sunghwan

2017-06-01

A Compton camera has been introduced for use in single photon emission computed tomography to improve the low efficiency of a conventional gamma camera. In general, a Compton camera brings about the conical Radon transform. Here we consider a conical Radon transform with the vertices on a rotation symmetric set with respect to a coordinate axis. We show that this conical Radon transform can be decomposed into two transforms: the spherical sectional transform and the weighted fan beam transform. After finding inversion formulas for these two transforms, we provide an inversion formula for the conical Radon transform.

High amplitude nonlinear acoustic wave driven flow fields in cylindrical and conical resonators.

PubMed

Antao, Dion Savio; Farouk, Bakhtier

2013-08-01

A high fidelity computational fluid dynamic model is used to simulate the flow, pressure, and density fields generated in a cylindrical and a conical resonator by a vibrating end wall/piston producing high-amplitude standing waves. The waves in the conical resonator are found to be shock-less and can generate peak acoustic overpressures that exceed the initial undisturbed pressure by two to three times. A cylindrical (consonant) acoustic resonator has limitations to the output response observed at one end when the opposite end is acoustically excited. In the conical geometry (dissonant acoustic resonator) the linear acoustic input is converted to high energy un-shocked nonlinear acoustic output. The model is validated using past numerical results of standing waves in cylindrical resonators. The nonlinear nature of the harmonic response in the conical resonator system is further investigated for two different working fluids (carbon dioxide and argon) operating at various values of piston amplitude. The high amplitude nonlinear oscillations observed in the conical resonator can potentially enhance the performance of pulse tube thermoacoustic refrigerators and these conical resonators can be used as efficient mixers.

Enhanced proton acceleration by intense laser interaction with an inverse cone target

NASA Astrophysics Data System (ADS)

Bake, Muhammad Ali; Aimidula, Aimierding; Xiaerding, Fuerkaiti; Rashidin, Reyima

2016-08-01

The generation and control of high-quality proton bunches using focused intense laser pulse on an inverse cone target is investigated with a set of particle-in-cell simulations. The inverse cone is a high atomic number conical frustum with a thin solid top and open base, where the laser impinges onto the top surface directly, not down the open end of the cone. Results are compared with a simple planar target, where the proton angular distribution is very broad because of transverse divergence of the electromagnetic fields behind the target. For a conical target, hot electrons along the cone wall surface induce a transverse focusing sheath field. This field can effectively suppress the spatial spreading of the protons, resulting in a high-quality small-emittance, low-divergence proton beam. A slightly lower proton beam peak energy than that of a conventional planar target was also found.

Assembly of the most topologically regular two-dimensional micro and nanocrystals with spherical, conical, and tubular shapes

NASA Astrophysics Data System (ADS)

Roshal, D. S.; Konevtsova, O. V.; Myasnikova, A. E.; Rochal, S. B.

2016-11-01

We consider how to control the extension of curvature-induced defects in the hexagonal order covering different curved surfaces. In these frames we propose a physical mechanism for improving structures of two-dimensional spherical colloidal crystals (SCCs). For any SCC comprising of about 300 or less particles the mechanism transforms all extended topological defects (ETDs) in the hexagonal order into the point disclinations. Perfecting the structure is carried out by successive cycles of the particle implantation and subsequent relaxation of the crystal. The mechanism is potentially suitable for obtaining colloidosomes with better selective permeability. Our approach enables modeling the most topologically regular tubular and conical two-dimensional nanocrystals including various possible polymorphic forms of the HIV viral capsid. Different HIV-like shells with an arbitrary number of structural units (SUs) and desired geometrical parameters are easily formed. Faceting of the obtained structures is performed by minimizing the suggested elastic energy.

Ferroelectricity with Ferromagnetic Moment in Orthoferrites

NASA Astrophysics Data System (ADS)

Tokunaga, Yusuke

2010-03-01

Exotic multiferroics with gigantic magnetoelectric (ME) coupling have recently been attracting broad interests from the viewpoints of both fundamental physics and possible technological application to next-generation spintronic devices. To attain a strong ME coupling, it would be preferable that the ferroelectric order is induced by the magnetic order. Nevertheless, the magnetically induced ferroelectric state with the spontaneous ferromagnetic moment is still quite rare apart from a few conical-spin multiferroics. To further explore multiferroic materials with both the strong ME coupling and spontaneous magnetization, we focused on materials with magnetic structures other than conical structure. In this talk we present that the most orthodox perovskite ferrite systems DyFeO3 and GdFeO3 have ``ferromagnetic-ferroelectric,'' i.e., genuinely multiferroic states in which weak ferromagnetic moment is induced by Dzyaloshinskii-Moriya interaction working on Fe spins and electric polarization originates from the striction due to symmetric exchange interaction between Fe and Dy (Gd) spins [1] [2]. Both materials showed large electric polarization (>0.1 μC/cm^2) and strong ME coupling. In addition, we succeeded in mutual control of magnetization and polarization with electric- and magnetic-fields in GdFeO3, and attributed the controllability to novel, composite domain wall structure. [4pt] [1] Y. Tokunaga et al., Phys. Rev. Lett. 101, 097205 (2008). [0pt] [2] Y. Tokunaga et al., Nature Mater. 8, 558 (2009).

Exploring unobserved heterogeneity in bicyclists' red-light running behaviors at different crossing facilities.

PubMed

Guo, Yanyong; Li, Zhibin; Wu, Yao; Xu, Chengcheng

2018-06-01

Bicyclists running the red light at crossing facilities increase the potential of colliding with motor vehicles. Exploring the contributing factors could improve the prediction of running red-light probability and develop countermeasures to reduce such behaviors. However, individuals could have unobserved heterogeneities in running a red light, which make the accurate prediction more challenging. Traditional models assume that factor parameters are fixed and cannot capture the varying impacts on red-light running behaviors. In this study, we employed the full Bayesian random parameters logistic regression approach to account for the unobserved heterogeneous effects. Two types of crossing facilities were considered which were the signalized intersection crosswalks and the road segment crosswalks. Electric and conventional bikes were distinguished in the modeling. Data were collected from 16 crosswalks in urban area of Nanjing, China. Factors such as individual characteristics, road geometric design, environmental features, and traffic variables were examined. Model comparison indicates that the full Bayesian random parameters logistic regression approach is statistically superior to the standard logistic regression model. More red-light runners are predicted at signalized intersection crosswalks than at road segment crosswalks. Factors affecting red-light running behaviors are gender, age, bike type, road width, presence of raised median, separation width, signal type, green ratio, bike and vehicle volume, and average vehicle speed. Factors associated with the unobserved heterogeneity are gender, bike type, signal type, separation width, and bike volume. Copyright © 2018 Elsevier Ltd. All rights reserved.

The micro conical system: Lessons learned from a successful EVA/robot-compatible mechanism

NASA Technical Reports Server (NTRS)

Gittleman, Mark; Johnston, Alistair

1996-01-01

The Micro Conical System (MCS) is a three-part, multi-purpose mechanical interface system used for acquiring and manipulating masses on-orbit by either extravehicular activity (EVA) or telerobotic means. The three components of the system are the micro conical fitting (MCF), the EVA micro tool (EMCT), and the Robot Micro Conical Tool (RMCT). The MCS was developed and refined over a four-year period. This period culminated with the delivery of 358 Class 1 and Class 2 micro conical fittings for the International Space Station and with its first use in space to handle a 1272 kg (2800 lbm) Spartan satellite (11000 times greater than the MCF mass) during an EVA aboard STS-63 in February, 1995. The micro conical system is the first successful EVA/robot-compatible mechanism to be demonstrated in the external environment aboard the U.S. Space Shuttle.

A new microscope optics for laser dark-field illumination applied to high precision two dimensional measurement of specimen displacement.

PubMed

Noda, Naoki; Kamimura, Shinji

2008-02-01

With conventional light microscopy, precision in the measurement of the displacement of a specimen depends on the signal-to-noise ratio when we measure the light intensity of magnified images. This implies that, for the improvement of precision, getting brighter images and reducing background light noise are both inevitably required. For this purpose, we developed a new optics for laser dark-field illumination. For the microscopy, we used a laser beam and a pair of axicons (conical lenses) to get an optimal condition for dark-field observations. The optics was applied to measuring two dimensional microbead displacements with subnanometer precision. The bandwidth of our detection system overall was 10 kHz. Over most of this bandwidth, the observed noise level was as small as 0.1 nm/radicalHz.

Holographic fluorescence mapping using space-division matching method

NASA Astrophysics Data System (ADS)

Abe, Ryosuke; Hayasaki, Yoshio

2017-10-01

Three-dimensional mapping of fluorescence light sources was performed by using self-interference digital holography. The positions of the sources were quantitatively determined by using Gaussian fitting of the axial and lateral intensity distributions obtained from diffraction calculations through position calibration from the observation space to the sample space. A space-division matching method was developed to perform the mapping of many fluorescence light sources, in this experiment, 500 nm fluorescent nanoparticles fixed in gelatin. A fluorescence digital holographic microscope having a 60 × objective lens with a numerical aperture of 1.25 detected 13 fluorescence light sources in a measurable region with a radius of ∼ 20 μm and a height of ∼ 5 μm. It was found that the measurable region had a conical shape resulting from the overlap between two beams.

TLR4 activation of TRPC6-dependent calcium signaling mediates endotoxin-induced lung vascular permeability and inflammation

PubMed Central

Tauseef, Mohammad; Knezevic, Nebojsa; Chava, Koteswara R.; Smith, Monica; Sukriti, Sukriti; Gianaris, Nicholas; Obukhov, Alexander G.; Vogel, Stephen M.; Schraufnagel, Dean E.; Dietrich, Alexander; Birnbaumer, Lutz; Malik, Asrar B.

2012-01-01

Lung vascular endothelial barrier disruption and the accompanying inflammation are primary pathogenic features of acute lung injury (ALI); however, the basis for the development of both remains unclear. Studies have shown that activation of transient receptor potential canonical (TRPC) channels induces Ca2+ entry, which is essential for increased endothelial permeability. Here, we addressed the role of Toll-like receptor 4 (TLR4) intersection with TRPC6-dependent Ca2+ signaling in endothelial cells (ECs) in mediating lung vascular leakage and inflammation. We find that the endotoxin (lipopolysaccharide; LPS) induces Ca2+ entry in ECs in a TLR4-dependent manner. Moreover, deletion of TRPC6 renders mice resistant to endotoxin-induced barrier dysfunction and inflammation, and protects against sepsis-induced lethality. TRPC6 induces Ca2+ entry in ECs, which is secondary to the generation of diacylglycerol (DAG) induced by LPS. Ca2+ entry mediated by TRPC6, in turn, activates the nonmuscle myosin light chain kinase (MYLK), which not only increases lung vascular permeability but also serves as a scaffold to promote the interaction of myeloid differentiation factor 88 and IL-1R–associated kinase 4, which are required for NF-κB activation and lung inflammation. Our findings suggest that TRPC6-dependent Ca2+ entry into ECs, secondary to TLR4-induced DAG generation, participates in mediating both lung vascular barrier disruption and inflammation induced by endotoxin. PMID:23045603

Performance of conical abutment (Morse Taper) connection implants: a systematic review.

PubMed

Schmitt, Christian M; Nogueira-Filho, Getulio; Tenenbaum, Howard C; Lai, Jim Yuan; Brito, Carlos; Döring, Hendrik; Nonhoff, Jörg

2014-02-01

In this systematic review, we aimed to compare conical versus nonconical implant-abutment connection systems in terms of their in vitro and in vivo performances. An electronic search was performed using PubMed, Embase, and Medline databases with the logical operators: "dental implant" AND "dental abutment" AND ("conical" OR "taper" OR "cone"). Names of the most common conical implant-abutment connection systems were used as additional key words to detect further data. The search was limited to articles published up to November 2012. Recent publications were also searched manually in order to find any relevant studies that might have been missed using the search criteria noted above. Fifty-two studies met the inclusion criteria and were included in this systematic review. As the data and methods, as well as types of implants used was so heterogeneous, this mitigated against the performance of meta-analysis. In vitro studies indicated that conical and nonconical abutments showed sufficient resistance to maximal bending forces and fatigue loading. However, conical abutments showed superiority in terms of seal performance, microgap formation, torque maintenance, and abutment stability. In vivo studies (human and animal) indicated that conical and nonconical systems are comparable in terms of implant success and survival rates with less marginal bone loss around conical connection implants in most cases. This review indicates that implant systems using a conical implant-abutment connection, provides better results in terms of abutment fit, stability, and seal performance. These design features could lead to improvements over time versus nonconical connection systems. © 2013 Wiley Periodicals, Inc.

Materials Research Society Symposium Proceedings, Volume 758 Held in Boston, Massachusetts on December 3-5, 2002. Rapid Prototyping Technologies

DTIC Science & Technology

2003-04-01

lithography to associate curved and conical structures with the smooth and vertical walls and micrometer accuracy of SU-8 technology [24]. It has been...Sintering (SLS) -3D O Stereolithography (SLA) - 3D Systems Systems Curing with Visible Light and DMD Melting with Lasers 0 Direct Photo Shaping (DPS...LAM) - AeroMet Electrolyte 0 Direct Metal Dep. ( DMD ) - POM Electroplating * Electrochemical Fab. (EFAB) - USC BINDER-based Drop Binding Powder Printing

"The Day All of the Different Parts of Me Can Come Along": Intersectionality and U.S. Third World Feminism in the Poetry of Pat Parker and Willyce Kim.

PubMed

Van Ausdall, Mimi Iimuro

2015-01-01

This article brings to light the poetry of Pat Parker and Willyce Kim, two key figures within the 1970s and '80s women in print movement. While Parker and Kim have been rightly placed within African-American and Asian-American histories, respectively, and working-class and lesbian-feminist literary histories, their work is most fully understood within the context of U.S. Third World Feminism. Through close readings of poetic form and content in addition to engagement with current debates about intersectionality as a methodology, the article links Kim and Parker's works to central contributions of U.S. Third World Feminism such as intersectionality and power across and within difference that continue to influence feminist theory today.

Magnetic field homogeneity of a conical coaxial coil pair.

PubMed

Salazar, F J; Nieves, F J; Bayón, A; Gascón, F

2017-09-01

An analytical study of the magnetic field created by a double-conical conducting sheet is presented. The analysis is based on the expansion of the magnetic field in terms of Legendre polynomials. It is demonstrated analytically that the angle of the conical surface that produces a nearly homogeneous magnetic field coincides with that of a pair of loops that fulfills the Helmholtz condition. From the results obtained, we propose an electric circuit formed by pairs of isolated conducting loops tightly wound around a pair of conical surfaces, calculating numerically the magnetic field produced by this system and its heterogeneity. An experimental setup of the proposed circuit was constructed and its magnetic field was measured. The results were compared with those obtained by numerical calculation, finding a good agreement. The numerical results demonstrate a significant improvement in homogeneity in the field of the proposed pair of conical coils compared with that achieved with a simple pair of Helmholtz loops or with a double solenoid. Moreover, a new design of a double pair of conical coils based on Braunbek's four loops is also proposed to achieve greater homogeneity. Regarding homogeneity, the rating of the analyzed configurations from best to worst is as follows: (1) double pair of conical coils, (2) pair of conical coils, (3) Braunbek's four loops, (4) Helmholtz pair, and (5) solenoid pair.

Magnetic field homogeneity of a conical coaxial coil pair

NASA Astrophysics Data System (ADS)

Salazar, F. J.; Nieves, F. J.; Bayón, A.; Gascón, F.

2017-09-01

An analytical study of the magnetic field created by a double-conical conducting sheet is presented. The analysis is based on the expansion of the magnetic field in terms of Legendre polynomials. It is demonstrated analytically that the angle of the conical surface that produces a nearly homogeneous magnetic field coincides with that of a pair of loops that fulfills the Helmholtz condition. From the results obtained, we propose an electric circuit formed by pairs of isolated conducting loops tightly wound around a pair of conical surfaces, calculating numerically the magnetic field produced by this system and its heterogeneity. An experimental setup of the proposed circuit was constructed and its magnetic field was measured. The results were compared with those obtained by numerical calculation, finding a good agreement. The numerical results demonstrate a significant improvement in homogeneity in the field of the proposed pair of conical coils compared with that achieved with a simple pair of Helmholtz loops or with a double solenoid. Moreover, a new design of a double pair of conical coils based on Braunbek's four loops is also proposed to achieve greater homogeneity. Regarding homogeneity, the rating of the analyzed configurations from best to worst is as follows: (1) double pair of conical coils, (2) pair of conical coils, (3) Braunbek's four loops, (4) Helmholtz pair, and (5) solenoid pair.

Infrared microscope inspection apparatus

DOEpatents

Forman, S.E.; Caunt, J.W.

1985-02-26

Apparatus and system for inspecting infrared transparents, such as an array of photovoltaic modules containing silicon solar cells, includes an infrared microscope, at least three sources of infrared light placed around and having their axes intersect the center of the object field and means for sending the reflected light through the microscope. The apparatus is adapted to be mounted on an X-Y translator positioned adjacent the object surface. 4 figs.

Infrared microscope inspection apparatus

DOEpatents

Forman, Steven E.; Caunt, James W.

1985-02-26

Apparatus and system for inspecting infrared transparents, such as an array of photovoltaic modules containing silicon solar cells, includes an infrared microscope, at least three sources of infrared light placed around and having their axes intersect the center of the object field and means for sending the reflected light through the microscope. The apparatus is adapted to be mounted on an X-Y translator positioned adjacent the object surface.

Christmas in the "Valley of Praise": Intersections of the Rural Idyll, Heritage and Community in Lobethal, South Australia

ERIC Educational Resources Information Center

Winchester, Hilary P. M.; Rofe, Matthew W.

2005-01-01

The village of Lobethal in the Adelaide Hills is synonymous with Christmas. Its annual Festival of Lights originated in the 1940s and now attracts over 250,000 visitors each year. In 1994, the Lobethal Lights Festival Committee took over the coordination of activities and gained serious corporate sponsorship. The formalisation of the Festival…

27 CFR 9.206 - Shawnee Hills.

Code of Federal Regulations, 2013 CFR

2013-04-01

... miles east of the village of Wolf Lake; then (18) Proceed west on the light-duty road (State Forest Road) to its intersection with State Route 3 just south of Wolf Lake; then (19) Proceed north on State...

27 CFR 9.206 - Shawnee Hills.

Code of Federal Regulations, 2014 CFR

2014-04-01

... miles east of the village of Wolf Lake; then (18) Proceed west on the light-duty road (State Forest Road) to its intersection with State Route 3 just south of Wolf Lake; then (19) Proceed north on State...

27 CFR 9.206 - Shawnee Hills.

Code of Federal Regulations, 2011 CFR

2011-04-01

... miles east of the village of Wolf Lake; then (18) Proceed west on the light-duty road (State Forest Road) to its intersection with State Route 3 just south of Wolf Lake; then (19) Proceed north on State...

27 CFR 9.206 - Shawnee Hills.

Code of Federal Regulations, 2012 CFR

2012-04-01

... miles east of the village of Wolf Lake; then (18) Proceed west on the light-duty road (State Forest Road) to its intersection with State Route 3 just south of Wolf Lake; then (19) Proceed north on State...

Dark matter maps reveal cosmic scaffolding.

PubMed

Massey, Richard; Rhodes, Jason; Ellis, Richard; Scoville, Nick; Leauthaud, Alexie; Finoguenov, Alexis; Capak, Peter; Bacon, David; Aussel, Hervé; Kneib, Jean-Paul; Koekemoer, Anton; McCracken, Henry; Mobasher, Bahram; Pires, Sandrine; Refregier, Alexandre; Sasaki, Shunji; Starck, Jean-Luc; Taniguchi, Yoshi; Taylor, Andy; Taylor, James

2007-01-18

Ordinary baryonic particles (such as protons and neutrons) account for only one-sixth of the total matter in the Universe. The remainder is a mysterious 'dark matter' component, which does not interact via electromagnetism and thus neither emits nor reflects light. As dark matter cannot be seen directly using traditional observations, very little is currently known about its properties. It does interact via gravity, and is most effectively probed through gravitational lensing: the deflection of light from distant galaxies by the gravitational attraction of foreground mass concentrations. This is a purely geometrical effect that is free of astrophysical assumptions and sensitive to all matter--whether baryonic or dark. Here we show high-fidelity maps of the large-scale distribution of dark matter, resolved in both angle and depth. We find a loose network of filaments, growing over time, which intersect in massive structures at the locations of clusters of galaxies. Our results are consistent with predictions of gravitationally induced structure formation, in which the initial, smooth distribution of dark matter collapses into filaments then into clusters, forming a gravitational scaffold into which gas can accumulate, and stars can be built.

Axicon based conical resonators with high power copper vapor laser.

PubMed

Singh, Bijendra; Subramaniam, V V; Daultabad, S R; Chakraborty, Ashim

2010-07-01

We report for the first time the performance of axicon based conical resonators (ABCRs) in a copper vapor laser, with novel results. The unstable conical resonator comprising of conical mirror (reflecting axicon) with axicon angle approximately pi/18, cone angle approximately 160 degrees, and a convex mirror of 60 cm radius of curvature was effective in reducing the average beam divergence to approximately 0.15 mrad (approximately 25 fold reduction compared to standard multimode plane-plane cavity) with output power of approximately 31 W. Extraction efficiency of approximately 50%-60% and beam divergence of <1 mrad was achieved in other stable ABCR configurations using flat and concave mirrors with the axicon. This is a significant improvement compared to 4-5 mrad normally observed in conventional stable resonators in copper vapor lasers. The conical resonators with copper vapor laser provide high misalignment tolerance beta approximately 4-5 mrad where beta is the tilt angle of the conical mirror from optimum position responsible for approximately 20% decline in laser power. The depth of focus d was approximately three times larger in case of conical resonator as compared to that of standard spherical unstable resonator under similar beam divergence and focusing conditions.

Enumerative Algebraic Geometry of Conics

DTIC Science & Technology

2008-10-01

polynomial defining the conic factors into a product of linear polynomials, then the conic is just the union of two lines. Such a conic is said to be...corresponds to the union of two varieties, so [H ] + [H ] will be the class representing the union of two hyperplanes. But the union of two...sets form a topology, the union S′ = S ∪ [(P5)5 × E] is also closed. Now one great fact about projective varieties is that if we have a projection

The conical stent in coronary artery improves hemodynamics compared with the traditional cylindrical stent.

PubMed

Yu, Yi; Zhou, Yujie; Ma, Qian; Jia, Shuo; Wu, Sijing; Sun, Yan; Liu, Xiaoli; Zhao, Yingxin; Liu, Yuyang; Shi, Dongmei

2017-01-15

This study sought to explore the efficacy of the conical stent implantation in the coronary artery by comparing the effects of cylindrical and conical stents on wall shear stress (WSS) and velocity of flow and fractional flow reserve (FFR). The traditional cylindrical stent currently used in the percutaneous coronary intervention (PCI) has a consistent diameter, which does not match the physiological change of the coronary artery. On the contrary, as a new patent, the conical stent with tapering lumen is consistent with the physiological change of vascular diameter. However, the effect of the conical stent implantation on the coronary hemodynamics remains unclear. The coronary artery, artery stenosis and two stent models were established by Solidworks software. All models were imported into the computational fluid dynamics (CFD) software ANSYS ICEM-CFD to establish the fluid model. After the boundary conditions were set, CFD analysis was proceeded to compare the effects of two stent implantation on the change of WSS, velocity of flow and FFR. Hemodynamic indexes including FFR, blood flow velocity distribution (BVD) and WSS were improved by either the cylindrical or the conical stent implantation. However, after the conical stent implantation, the change of FFR seemed to be slower and more homogenous; the blood flow velocity was more appropriate without any obvious blood stagnation and direction changes; the WSS after the conical stent implantation was uniform from the proximal to distal side of the stent. Compared with the cylindrical stent, the conical stent implantation in the coronary artery can make the changes of vascular hemodynamic more closer to the physiological condition, which can reduce the incidence of intra-stent restenosis and thrombosis, thus making it more suitable for PCI therapy. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Older driver failures of attention at intersections: using change blindness methods to assess turn decision accuracy.

PubMed

Caird, Jeff K; Edwards, Christopher J; Creaser, Janet I; Horrey, William J

2005-01-01

A modified version of the flicker technique to induce change blindness was used to examine the effects of time constraints on decision-making accuracy at intersections on a total of 62 young (18-25 years), middle-aged (26-64 years), young-old (65-73 years), and old-old (74+ years) drivers. Thirty-six intersection photographs were manipulated so that one object (i.e., pedestrian, vehicle, sign, or traffic control device) in the scene would change when the images were alternated for either 5 or 8 s using the modified flicker method. Young and middle-aged drivers made significantly more correct decisions than did young-old and old-old drivers. Logistic regression analysis of the data indicated that age and/or time were significant predictors of decision performance in 14 of the 36 intersections. Actual or potential applications of this research include driving assessment and crash investigation.

Conical twist fields and null polygonal Wilson loops

NASA Astrophysics Data System (ADS)

Castro-Alvaredo, Olalla A.; Doyon, Benjamin; Fioravanti, Davide

2018-06-01

Using an extension of the concept of twist field in QFT to space-time (external) symmetries, we study conical twist fields in two-dimensional integrable QFT. These create conical singularities of arbitrary excess angle. We show that, upon appropriate identification between the excess angle and the number of sheets, they have the same conformal dimension as branch-point twist fields commonly used to represent partition functions on Riemann surfaces, and that both fields have closely related form factors. However, we show that conical twist fields are truly different from branch-point twist fields. They generate different operator product expansions (short distance expansions) and form factor expansions (large distance expansions). In fact, we verify in free field theories, by re-summing form factors, that the conical twist fields operator product expansions are correctly reproduced. We propose that conical twist fields are the correct fields in order to understand null polygonal Wilson loops/gluon scattering amplitudes of planar maximally supersymmetric Yang-Mills theory.

Conic Sector Analysis of Hybrid Control Systems. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Thompson, P. M.

1982-01-01

A hybrid control system contains an analog plant and a hybrid (or sampled-data) compensator. In this thesis a new conic sector is determined which is constructive and can be used to: (1) determine closed loop stability, (2) analyze robustness with respect to modelling uncertainties, (3) analyze steady state response to commands, and (4) select the sample rate. The use of conic sectors allows the designer to treat hybrid control systems as though they were analog control systems. The center of the conic sector can be used as a rigorous linear time invariant approximation of the hybrid control system, and the radius places a bound on the errors of this approximation. The hybrid feedback system can be multivariable, and the sampler is assumed to be synchronous. Algorithms to compute the conic sector are presented. Several examples demonstrate how the conic sector analysis techniques are applied. Extensions to single loop multirate hybrid feedback systems are presented. Further extensions are proposed for multiloop multirate hybrid feedback system and for single rate systems with asynchronous sampling.

Estimation of fuel loss due to idling of vehicles at a signalized intersection in Chennai, India

NASA Astrophysics Data System (ADS)

Vasantha Kumar, S.; Gulati, Himanshu; Arora, Shivam

2017-11-01

The vehicles while waiting at signalized intersections are generally found to be in idling condition, i.e., not switching off their vehicles during red times. This phenomenon of idling of vehicles during red times at signalized intersections may lead to huge economic loss as lot of fuel is consumed by vehicles when they are in idling condition. The situation may even be worse in countries like India as different vehicle types consume varying amount of fuel. Only limited studies have been reported on estimation of fuel loss due to idling of vehicles in India. In the present study, one of the busy intersections in Chennai, namely, Tidel Park Junction in Rajiv Gandhi salai was considered. Data collection was carried out in one approach road of the intersection during morning and evening peak hours on a typical working day by manually noting down the red timings of each cycle and the corresponding number of two-wheelers, three-wheelers, passenger cars, light commercial vehicles (LCV) and heavy motorized vehicles (HMV) that were in idling mode. Using the fuel consumption values of various vehicles types suggested by Central Road Research Institute (CRRI), the total fuel loss during the study period was found to be Rs. 4,93,849/-. The installation of red timers, synchronization of signals, use of non-motorized transport for short trips and public awareness are some of the measures which government need to focus to save the fuel wasted at signalized intersections in major cities of India.

Age-Related Differences in Vehicle Control and Eye Movement Patterns at Intersections: Older and Middle-Aged Drivers

PubMed Central

Yamani, Yusuke; Horrey, William J.; Liang, Yulan; Fisher, Donald L.

2016-01-01

Older drivers are at increased risk of intersection crashes. Previous work found that older drivers execute less frequent glances for detecting potential threats at intersections than middle-aged drivers. Yet, earlier work has also shown that an active training program doubled the frequency of these glances among older drivers, suggesting that these effects are not necessarily due to age-related functional declines. In light of findings, the current study sought to explore the ability of older drivers to coordinate their head and eye movements while simultaneously steering the vehicle as well as their glance behavior at intersections. In a driving simulator, older (M = 76 yrs) and middle-aged (M = 58 yrs) drivers completed different driving tasks: (1) travelling straight on a highway while scanning for peripheral information (a visual search task) and (2) navigating intersections with areas potential hazard. The results replicate that the older drivers did not execute glances for potential threats to the sides when turning at intersections as frequently as the middle-aged drivers. Furthermore, the results demonstrate costs of performing two concurrent tasks, highway driving and visual search task on the side displays: the older drivers performed more poorly on the visual search task and needed to correct their steering positions more compared to the middle-aged counterparts. The findings are consistent with the predictions and discussed in terms of a decoupling hypothesis, providing an account for the effects of the active training program. PMID:27736887

Traffic signal design and simulation for vulnerable road users safety and bus preemption

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

Lo, Shih-Ching; Huang, Hsieh-Chu

Mostly, pedestrian car accidents occurred at a signalized interaction is because pedestrians cannot across the intersection safely within the green light. From the viewpoint of pedestrian, there might have two reasons. The first one is pedestrians cannot speed up to across the intersection, such as the elders. The other reason is pedestrians do not sense that the signal phase is going to change and their right-of-way is going to be lost. Developing signal logic to protect pedestrian, who is crossing an intersection is the first purpose of this study. In addition, to improve the reliability and reduce delay of publicmore » transportation service is the second purpose. Therefore, bus preemption is also considered in the designed signal logic. In this study, the traffic data of the intersection of Chong-Qing North Road and Min-Zu West Road, Taipei, Taiwan, is employed to calibrate and validate the signal logic by simulation. VISSIM 5.20, which is a microscopic traffic simulation software, is employed to simulate the signal logic. From the simulated results, the signal logic presented in this study can protect pedestrians crossing the intersection successfully. The design of bus preemption can reduce the average delay. However, the pedestrian safety and bus preemption signal will influence the average delay of cars largely. Thus, whether applying the pedestrian safety and bus preemption signal logic to an intersection or not should be evaluated carefully.« less

Two new species of the genus Aporcelinus Andrássy, 2009 (Nematoda, Dorylaimida, Aporcelaimidae) from Vietnam.

PubMed

Nguyen, Thi Anh Duong; Abolafia, Joaquín; Bonkowski, Michael; Peña-Santiago, Reyes

2016-04-18

Two new species of Aporcelinus from Vietnamese natural habitats are studied, described and illustrated, including line drawings and light microscope (LM) pictures. Aporcelinus paramamillatus sp. n. is characterized by its 1.71-2.14 mm long body, lip region 21-22 μm broad, odontostyle 22-24 μm long at its ventral side, neck 451-503 μm long, uterus tripartite and 71-94 µm long, V = 53-54, tail conical with finely rounded tip, ending in a short peg-like terminus, occasionally slightly re-curved dorsad (24-34 μm, c = 50-77, c' = 0.6-0.9) and unknown male. Aporcelinus paraseychellensis sp. n. is distinguished by its 1.20-1.46 mm long body, lip region 16-18 μm broad, odontostyle 20 μm long at its ventral side, neck 354-368 μm long, uterus tripartite and 176-241 µm long, V = 52-54, tail conical with acute tip and hardly re-curved dorsad, spicules 62 μm long, and 12 regularly spaced ventromedian supplements lacking hiatus.

Veiling glare reduction methods compared for ophthalmic applications

NASA Technical Reports Server (NTRS)

Buchele, D. R.

1981-01-01

Veiling glare in ocular viewing was simulated by viewing the retina of an eye model through a sheet of light-scattering material lit from the front. Four methods of glare reduction were compared, namely, optical scanning, polarized light, viewing and illumination paths either coaxial or intersecting at the object, and closed circuit TV. Photographs show the effect of these methods on visibility. Polarized light was required to eliminate light specularly reflected from the instrument optics. The greatest glare reduction was obtained when the first three methods were utilized together. Glare reduction using TV was limited by nonuniform distribution of scattered light over the image.

Vehicle-to-Vehicle Communications for Safer Intersections : Virtual Traffic Lights

DOT National Transportation Integrated Search

2013-12-15

Increasing the use of information technology (IT) in future vehicles can solve or mitigate many of the fundamental problems we face today in transportation such as energy efficiency, reduced carbon footprint for cars, greener environment, and several...