Location Prediction Based on Transition Probability Matrices Constructing from Sequential Rules for Spatial-Temporal K-Anonymity Dataset

PubMed Central

Liu, Zhao; Zhu, Yunhong; Wu, Chenxue

2016-01-01

Spatial-temporal k-anonymity has become a mainstream approach among techniques for protection of users’ privacy in location-based services (LBS) applications, and has been applied to several variants such as LBS snapshot queries and continuous queries. Analyzing large-scale spatial-temporal anonymity sets may benefit several LBS applications. In this paper, we propose two location prediction methods based on transition probability matrices constructing from sequential rules for spatial-temporal k-anonymity dataset. First, we define single-step sequential rules mined from sequential spatial-temporal k-anonymity datasets generated from continuous LBS queries for multiple users. We then construct transition probability matrices from mined single-step sequential rules, and normalize the transition probabilities in the transition matrices. Next, we regard a mobility model for an LBS requester as a stationary stochastic process and compute the n-step transition probability matrices by raising the normalized transition probability matrices to the power n. Furthermore, we propose two location prediction methods: rough prediction and accurate prediction. The former achieves the probabilities of arriving at target locations along simple paths those include only current locations, target locations and transition steps. By iteratively combining the probabilities for simple paths with n steps and the probabilities for detailed paths with n-1 steps, the latter method calculates transition probabilities for detailed paths with n steps from current locations to target locations. Finally, we conduct extensive experiments, and correctness and flexibility of our proposed algorithm have been verified. PMID:27508502

Stochastic optimal operation of reservoirs based on copula functions

NASA Astrophysics Data System (ADS)

Lei, Xiao-hui; Tan, Qiao-feng; Wang, Xu; Wang, Hao; Wen, Xin; Wang, Chao; Zhang, Jing-wen

2018-02-01

Stochastic dynamic programming (SDP) has been widely used to derive operating policies for reservoirs considering streamflow uncertainties. In SDP, there is a need to calculate the transition probability matrix more accurately and efficiently in order to improve the economic benefit of reservoir operation. In this study, we proposed a stochastic optimization model for hydropower generation reservoirs, in which 1) the transition probability matrix was calculated based on copula functions; and 2) the value function of the last period was calculated by stepwise iteration. Firstly, the marginal distribution of stochastic inflow in each period was built and the joint distributions of adjacent periods were obtained using the three members of the Archimedean copulas, based on which the conditional probability formula was derived. Then, the value in the last period was calculated by a simple recursive equation with the proposed stepwise iteration method and the value function was fitted with a linear regression model. These improvements were incorporated into the classic SDP and applied to the case study in Ertan reservoir, China. The results show that the transition probability matrix can be more easily and accurately obtained by the proposed copula function based method than conventional methods based on the observed or synthetic streamflow series, and the reservoir operation benefit can also be increased.

Phased models for evaluating the performability of computing systems

NASA Technical Reports Server (NTRS)

Wu, L. T.; Meyer, J. F.

1979-01-01

A phase-by-phase modelling technique is introduced to evaluate a fault tolerant system's ability to execute different sets of computational tasks during different phases of the control process. Intraphase processes are allowed to differ from phase to phase. The probabilities of interphase state transitions are specified by interphase transition matrices. Based on constraints imposed on the intraphase and interphase transition probabilities, various iterative solution methods are developed for calculating system performability.

Decision analysis with cumulative prospect theory.

PubMed

Bayoumi, A M; Redelmeier, D A

2000-01-01

Individuals sometimes express preferences that do not follow expected utility theory. Cumulative prospect theory adjusts for some phenomena by using decision weights rather than probabilities when analyzing a decision tree. The authors examined how probability transformations from cumulative prospect theory might alter a decision analysis of a prophylactic therapy in AIDS, eliciting utilities from patients with HIV infection (n = 75) and calculating expected outcomes using an established Markov model. They next focused on transformations of three sets of probabilities: 1) the probabilities used in calculating standard-gamble utility scores; 2) the probabilities of being in discrete Markov states; 3) the probabilities of transitioning between Markov states. The same prophylaxis strategy yielded the highest quality-adjusted survival under all transformations. For the average patient, prophylaxis appeared relatively less advantageous when standard-gamble utilities were transformed. Prophylaxis appeared relatively more advantageous when state probabilities were transformed and relatively less advantageous when transition probabilities were transformed. Transforming standard-gamble and transition probabilities simultaneously decreased the gain from prophylaxis by almost half. Sensitivity analysis indicated that even near-linear probability weighting transformations could substantially alter quality-adjusted survival estimates. The magnitude of benefit estimated in a decision-analytic model can change significantly after using cumulative prospect theory. Incorporating cumulative prospect theory into decision analysis can provide a form of sensitivity analysis and may help describe when people deviate from expected utility theory.

Wavelengths, Transition Probabilities, and Energy Levels for the Spectra of Strontium Ions (Sr II through Sr XXXVIII)

NASA Astrophysics Data System (ADS)

Sansonetti, J. E.

2012-03-01

Energy levels, with designations and uncertainties, have been compiled for the spectra of strontium (Z=38) ions from singly ionized to hydrogen-like. Wavelengths with classifications, intensities, and transition probabilities are also tabulated. In addition, ground states and ionization energies are listed. For many ionization stages experimental data are available; however for those for which only theoretical calculations or fitted values exist, these are reported. There are a few ionization stages for which only a calculated ionization potential is available.

Linear canonical transformations of coherent and squeezed states in the Wigner phase space. II - Quantitative analysis

NASA Technical Reports Server (NTRS)

Han, D.; Kim, Y. S.; Noz, Marilyn E.

1989-01-01

It is possible to calculate expectation values and transition probabilities from the Wigner phase-space distribution function. Based on the canonical transformation properties of the Wigner function, an algorithm is developed for calculating these quantities in quantum optics for coherent and squeezed states. It is shown that the expectation value of a dynamical variable can be written in terms of its vacuum expectation value of the canonically transformed variable. Parallel-axis theorems are established for the photon number and its variant. It is also shown that the transition probability between two squeezed states can be reduced to that of the transition from one squeezed state to vacuum.

Tables of stark level transition probabilities and branching ratios in hydrogen-like atoms

NASA Technical Reports Server (NTRS)

Omidvar, K.

1980-01-01

The transition probabilities which are given in terms of n prime k prime and n k are tabulated. No additional summing or averaging is necessary. The electric quantum number k plays the role of the angular momentum quantum number l in the presence of an electric field. The branching ratios between stark levels are also tabulated. Necessary formulas for the transition probabilities and branching ratios are given. Symmetries are discussed and selection rules are given. Some disagreements for some branching ratios are found between the present calculation and the measurement of Mark and Wierl. The transition probability multiplied by the statistical weight of the initial state is called the static intensity J sub S, while the branching ratios are called the dynamic intensity J sub D.

Theoretical transition probabilities, oscillator strengths, and radiative lifetimes of levels in Pb IV

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

Alonso-Medina, A.; Colon, C., E-mail: cristobal.colon@upm.e; Porcher, P.

2011-01-15

Transition probabilities and oscillator strengths of 176 spectral lines with astrophysical interest arising from 5d{sup 10}ns (n = 7,8), 5d{sup 10}np (n = 6,7), 5d{sup 10}nd (n = 6,7), 5d{sup 10}5f, 5d{sup 10}5g, 5d{sup 10}nh (n = 6,7,8), 5d{sup 9}6s{sup 2}, and 5d{sup 9}6s6p configurations, and radiative lifetimes for 43 levels of Pb IV, have been calculated. These values were obtained in intermediate coupling (IC) and using relativistic Hartree-Fock calculations including core-polarization effects. For the IC calculations, we use the standard method of least-square fitting from experimental energy levels by means of the Cowan computer code. The inclusion in thesemore » calculations of the 5d{sup 10}7p and 5d{sup 10}5f configurations has facilitated a complete assignment of the energy levels in the Pb IV. Transition probabilities, oscillator strengths, and radiative lifetimes obtained are generally in good agreement with the experimental data.« less

Computer models of social processes: the case of migration.

PubMed

Beshers, J M

1967-06-01

The demographic model is a program for representing births, deaths, migration, and social mobility as social processes in a non-stationary stochastic process (Markovian). Transition probabilities for each age group are stored and then retrieved at the next appearance of that age cohort. In this way new transition probabilities can be calculated as a function of the old transition probabilities and of two successive distribution vectors.Transition probabilities can be calculated to represent effects of the whole age-by-state distribution at any given time period, too. Such effects as saturation or queuing may be represented by a market mechanism; for example, migration between metropolitan areas can be represented as depending upon job supplies and labor markets. Within metropolitan areas, migration can be represented as invasion and succession processes with tipping points (acceleration curves), and the market device has been extended to represent this phenomenon.Thus, the demographic model makes possible the representation of alternative classes of models of demographic processes. With each class of model one can deduce implied time series (varying parame-terswithin the class) and the output of the several classes can be compared to each other and to outside criteria, such as empirical time series.

Comparing Ultraviolet Spectra Against Calculations: First Results

NASA Technical Reports Server (NTRS)

Peterson, Ruth C.

2003-01-01

The five-year goal of this effort is to calculate high fidelity mid-UV spectra for individual stars and stellar systems for a wide range of ages, abundances, and abundance ratios. In this first year, the emphasis was placed on revising the list of atomic line parameters used to calculate mid-UV spectra. First, new identifications of atomic lines and measurements of their transition probabilities were obtained for lines of the first and second ionization stages of iron-peak elements. Second, observed mid-UV and optical spectra for standard stars were re-analyzed and compared to new calculations, to refine the determination of transition probabilities and to estimate the identity of lines still missing from the laboratory lists. As evidenced by the figures, a dramatic improvement has resulted in the reproduction of the spectra of standard stars by the calculations.

Radiative lifetimes and transition probabilities for electric-dipole delta n equals zero transitions in highly stripped sulfur ions

NASA Technical Reports Server (NTRS)

Pegg, D. J.; Elston, S. B.; Griffin, P. M.; Forester, J. P.; Thoe, R. S.; Peterson, R. S.; Sellin, I. A.; Hayden, H. C.

1976-01-01

The beam-foil time-of-flight method has been used to investigate radiative lifetimes and transition rates involving allowed intrashell transitions within the L shell of highly ionized sulfur. The results for these transitions, which can be particularly correlation-sensitive, are compared with current calculations based upon multiconfigurational models.

MRCI study on transition dipole moments and transition probabilities of 18 low-lying states of CP+ cation

NASA Astrophysics Data System (ADS)

Zhou, Dan; Wang, Kedong; Li, Xue

2018-07-01

This study calculates the potential energy curves of 18 Λ-S and 50 Ω states, which arise from the C(3Pg) + P+(3Pg) dissociation channel of the CP+ cation. The calculations are made using the CASSCF method, followed by the icMRCI approach with the Davidson correction. Core-valence correlation and scalar relativistic corrections, as well as extrapolation to the complete basis set limit are included. The transition dipole moments are computed for 25 pairs of Λ-S states. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The Franck-Condon factors and Einstein coefficients of emissions are calculated. Radiative lifetimes are obtained for several vibrational levels of some states. The transitions are evaluated and spectroscopic measurement schemes for observing these Λ-S states are proposed. The potential energy curves, spectroscopic constants, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very accurate and reliable. Because no experimental observations are currently available, the results obtained here can be used as guidelines for the detection of these states in appropriate spectroscopy experiments, in particular for observations in stellar atmospheres and in interstellar space.

Calculating Absolute Transition Probabilities for Deformed Nuclei in the Rare-Earth Region

NASA Astrophysics Data System (ADS)

Stratman, Anne; Casarella, Clark; Aprahamian, Ani

2017-09-01

Absolute transition probabilities are the cornerstone of understanding nuclear structure physics in comparison to nuclear models. We have developed a code to calculate absolute transition probabilities from measured lifetimes, using a Python script and a Mathematica notebook. Both of these methods take pertinent quantities such as the lifetime of a given state, the energy and intensity of the emitted gamma ray, and the multipolarities of the transitions to calculate the appropriate B(E1), B(E2), B(M1) or in general, any B(σλ) values. The program allows for the inclusion of mixing ratios of different multipolarities and the electron conversion of gamma-rays to correct for their intensities, and yields results in absolute units or results normalized to Weisskopf units. The code has been tested against available data in a wide range of nuclei from the rare earth region (28 in total), including 146-154Sm, 154-160Gd, 158-164Dy, 162-170Er, 168-176Yb, and 174-182Hf. It will be available from the Notre Dame Nuclear Science Laboratory webpage for use by the community. This work was supported by the University of Notre Dame College of Science, and by the National Science Foundation, under Contract PHY-1419765.

Radiative one- and two-electron transitions into the empty K shell of He-like ions

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

Kadrekar, Riddhi; Natarajan, L.

2011-12-15

The branching ratios between the single and double electron radiative transitions to empty K shell in He-like ions with 2s2p configuration are evaluated for 15 ions with 4{<=}Z{<=}26 using fully relativistic multiconfiguration Dirac-Fock wavefunctions in the active space approximation. The effects of configuration interaction and Breit contributions on the transition parameters have been analyzed in detail. Though the influence of Breit interaction on the electric dipole allowed one-electron radiative transitions is negligible, it substantially changes the spin-forbidden rates and the two-electron one-photon transition probabilities. Also, while the single electron transition rates are gauge independent, the correlated double-electron probabilities are foundmore » to be gauge sensitive. The probable uncertainties in the computed transition rates have been evaluated by considering the line strengths and the differences between the calculated and experimental transition energies as accuracy indicators. The present results are compared with other available experimental and theoretical data.« less

Electric dipole transitions for four-times ionized cerium (Ce V)

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

Usta, Betül Karaçoban, E-mail: bkaracoban@sakarya.edu.tr; Akgün, Elif, E-mail: elif.akgun@ogr.sakarya.edu.tr; Alparslan, Büşra, E-mail: busra.alparslan1@ogr.sakarya.edu.tr

2016-03-25

We have calculated the transition parameters, such as wavelengths, oscillator strengths, and transition probabilities (or rates), for the electric dipole (E1) transitions in four-times ionized cerium (Ce V, Z = 58) by using the multiconfiguration Hartree-Fock method within the framework of Breit-Pauli (MCHF+BP) relativistic corrections and the relativistic Hartree-Fock (HFR) method. The obtained results have been compared with other works available in literature. A discussion of these calculations for Ce V in this study has also been in view of the MCHF+BP and HFR methods.

Electron Impact Exciation of Fe IX

NASA Astrophysics Data System (ADS)

Tayal, Swaraj; Zatsarinny, Oleg

2015-05-01

Transition probabilities and electron impact excitation collision strengths and rates for astrophysically important extreme ultraviolet lines of Fe IX are calculated. The 322 fine-structure levels of the 3s2 3p6 , 3s2 3p5 3 d , 3 s 3p6 3 d , 3s2 3p5 4 s , and 3s2 3p4 3d2 configurations are included in our calculations. The collision strengths have been calculated using the B-spline Breit-Pauli R-matrix method for all fine-structure transitions among the 322 levels. The mass, Darwin, and spin-orbit relativistic effects are included in the Breit-Pauli Hamiltonian in the scattering calculation. The one-body and two-body relativistic operators are included in the multi-configuration Hartree-Fock calculations of transition probabilities. Several sets of non-orthogonal spectroscopic and correlation radial orbitals are used to obtain accurate description of Fe IX levels and to represent the scattering functions. The calculated excitation energies are in very good agreement with experiment and represents an improvement over the previous calculations. The present collision strengths show reasonable agreement with the previously available R-matrix and distorted-wave calculations. This research is supported by NASA grant from the Solar and Heliophysics Program.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Neutral Vanadium (V i)

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

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of the neutral vanadium atom, V i, have been compiled. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factors and leading percentage compositions for the levels are included where available, as well as wavelengths calculated from the energy levels (Ritz wavelengths). Wavelengths are reported for 3985 transitions, and 549 energy levels are determined. The observed relative intensities normalized to a common scale are provided.

Investigating rare events with nonequilibrium work measurements. I. Nonequilibrium transition path probabilities

NASA Astrophysics Data System (ADS)

Moradi, Mahmoud; Sagui, Celeste; Roland, Christopher

2014-01-01

We have developed a formalism for investigating transition pathways and transition probabilities for rare events in biomolecular systems. In this paper, we set the theoretical framework for employing nonequilibrium work relations to estimate the relative reaction rates associated with different classes of transition pathways. Particularly, we derive an extension of Crook's transient fluctuation theorem, which relates the relative transition rates of driven systems in the forward and reverse directions, and allows for the calculation of these relative rates using work measurements (e.g., in Steered Molecular Dynamics). The formalism presented here can be combined with Transition Path Theory to relate the equilibrium and driven transition rates. The usefulness of this framework is illustrated by means of a Gaussian model and a driven proline dimer.

Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Errington, Jeffrey R.

2003-06-01

An approach for directly determining the liquid-vapor phase equilibrium of a model system at any temperature along the coexistence line is described. The method relies on transition matrix Monte Carlo ideas developed by Fitzgerald, Picard, and Silver [Europhys. Lett. 46, 282 (1999)]. During a Monte Carlo simulation attempted transitions between states along the Markov chain are monitored as opposed to tracking the number of times the chain visits a given state as is done in conventional simulations. Data collection is highly efficient and very precise results are obtained. The method is implemented in both the grand canonical and isothermal-isobaric ensemble. The main result from a simulation conducted at a given temperature is a density probability distribution for a range of densities that includes both liquid and vapor states. Vapor pressures and coexisting densities are calculated in a straightforward manner from the probability distribution. The approach is demonstrated with the Lennard-Jones fluid. Coexistence properties are directly calculated at temperatures spanning from the triple point to the critical point.

Cross Sections for Electron Impact Excitation of Astrophysically Abundant Atoms and Ions

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2006-01-01

Electron collisional excitation rates and transition probabilities are important for computing electron temperatures and densities, ionization equilibria, and for deriving elemental abundances from emission lines formed in the collisional and photoionized astrophysical plasmas. Accurate representation of target wave functions that properly account for the important correlation and relaxation effects and inclusion of coupling effects including coupling to the continuum are essential components of a reliable collision calculation. Non-orthogonal orbitals technique in multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities. The effect of coupling to the continuum spectrum is included through the use of pseudostates which are chosen to account for most of the dipole polarizabilities of target states. The B-spline basis is used in the R-matrix approach to calculate electron excitation collision strengths and rates. Results for oscillator strengths and electron excitation collision strengths for transitions in N I, O I, O II, O IV, S X and Fe XIV have been produced

Wave vector modification of the infinite order sudden approximation

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

Sachs, J.G.; Bowman, J.M.

1980-10-15

A simple method is proposed to modify the infinite order sudden approximation (IOS) in order to extend its region of quantitative validity. The method involves modifying the phase of the IOS scattering matrix to include a part calculated at the outgoing relative kinetic energy as well as a part calculated at the incoming kinetic energy. An immediate advantage of this modification is that the resulting S matrix is symmetric. We also present a closely related method in which the relative kinetic energies used in the calculation of the phase are determined from quasiclassical trajectory calculations. A set of trajectories ismore » run with the initial state being the incoming state, and another set is run with the initial state being the outgoing state, and the average final relative kinetic energy of each set is obtained. One part of the S-operator phase is then calculated at each of these kinetic energies. We apply these methods to vibrationally inelastic collinear collisions of an atom and a harmonic oscillator, and calculate transition probabilities P/sub n/1..-->..nf for three model systems. For systems which are sudden, or nearly so, the agreement with exact quantum close-coupling calculations is substantially improved over standard IOS ones when ..delta..n=such thatub f/-n/sub i/ is large, and the corresponding transition probability is small, i.e., less than 0.1. However, the modifications we propose will not improve the accuracy of the IOS transition probabilities for any collisional system unless the standard form of IOS already gives at least qualitative agreement with exact quantal calculations. We also suggest comparisons between some classical quantities and sudden predictions which should help in determining the validity of the sudden approximation. This is useful when exact quantal data is not available for comparison.« less

Wave vector modification of the infinite order sudden approximation

NASA Astrophysics Data System (ADS)

Sachs, Judith Grobe; Bowman, Joel M.

1980-10-01

A simple method is proposed to modify the infinite order sudden approximation (IOS) in order to extend its region of quantitative validity. The method involves modifying the phase of the IOS scattering matrix to include a part calculated at the outgoing relative kinetic energy as well as a part calculated at the incoming kinetic energy. An immediate advantage of this modification is that the resulting S matrix is symmetric. We also present a closely related method in which the relative kinetic energies used in the calculation of the phase are determined from quasiclassical trajectory calculations. A set of trajectories is run with the initial state being the incoming state, and another set is run with the initial state being the outgoing state, and the average final relative kinetic energy of each set is obtained. One part of the S-operator phase is then calculated at each of these kinetic energies. We apply these methods to vibrationally inelastic collinear collisions of an atom and a harmonic oscillator, and calculate transition probabilities Pn1→nf for three model systems. For systems which are sudden, or nearly so, the agreement with exact quantum close-coupling calculations is substantially improved over standard IOS ones when Δn=‖nf-ni‖ is large, and the corresponding transition probability is small, i.e., less than 0.1. However, the modifications we propose will not improve the accuracy of the IOS transition probabilities for any collisional system unless the standard form of IOS already gives at least qualitative agreement with exact quantal calculations. We also suggest comparisons between some classical quantities and sudden predictions which should help in determining the validity of the sudden approximation. This is useful when exact quantal data is not available for comparison.

Bimodality emerges from transport model calculations of heavy ion collisions at intermediate energy

NASA Astrophysics Data System (ADS)

Mallik, S.; Das Gupta, S.; Chaudhuri, G.

2016-04-01

This work is a continuation of our effort [S. Mallik, S. Das Gupta, and G. Chaudhuri, Phys. Rev. C 91, 034616 (2015)], 10.1103/PhysRevC.91.034616 to examine if signatures of a phase transition can be extracted from transport model calculations of heavy ion collisions at intermediate energy. A signature of first-order phase transition is the appearance of a bimodal distribution in Pm(k ) in finite systems. Here Pm(k ) is the probability that the maximum of the multiplicity distribution occurs at mass number k . Using a well-known model for event generation [Botzmann-Uehling-Uhlenbeck (BUU) plus fluctuation], we study two cases of central collision: mass 40 on mass 40 and mass 120 on mass 120. Bimodality is seen in both the cases. The results are quite similar to those obtained in statistical model calculations. An intriguing feature is seen. We observe that at the energy where bimodality occurs, other phase-transition-like signatures appear. There are breaks in certain first-order derivatives. We then examine if such breaks appear in standard BUU calculations without fluctuations. They do. The implication is interesting. If first-order phase transition occurs, it may be possible to recognize that from ordinary BUU calculations. Probably the reason this has not been seen already is because this aspect was not investigated before.

Multi-configuration Dirac-Hartree-Fock (MCDHF) calculations for Ni XXV

NASA Astrophysics Data System (ADS)

Singh, Narendra; Aggarwal, Sunny

2018-03-01

We present accurate 165 fine-structure energy levels related to the configurations 1s22s2, 1s22p2, 1s2nƖn‧l‧ (n = 2, n‧ = 2, 3, 4, 5, Ɩ = s,p Ɩ‧ = s, p, d, f, g) of Ni XXV which may be useful ion for astrophysical and fusion plasma. For the calculations of energy levels and radiative rates, we have used the multiconfiguration Dirac-Hartree-Fock (MCDHF) method employed in GRASP2K code. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths are reported for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), magnetic quadrupole (M2) transitions from the ground state. We have compared our calculated results with available theoretical and experimental data and good agreement is achieved. We predict new energy levels, oscillator strengths, line strengths and transition probabilities, where no other experimental or theoretical results are available. The present complete set of results should be of great help in line identification and the interpretation of spectra, as well as in the modelling and diagnostics of astrophysical and fusion plasmas.

Dipole moments and transition probabilities of the i 3Pi sub g-b 3Sigma(+) sub u, c 3Pi sub u-a 3Sigma(+) sub g, and i 3Pi sub g-c 3Pi sub u systems of molecular hydrogen

NASA Technical Reports Server (NTRS)

Guberman, Steven L.; Dalgarno, A.

1992-01-01

Bonn-Oppenheimer-based ab initio calculations of dipole moments from the i 3Pi sub g-b 3Sigma(+) sub u, c 3Pi sub u-a 3Sigma(+) sub g, and i 3Pi sub g-c 3Pi sub u transitions of H2 have been conducted, to yield a tabulation of the dipole transition probabilities and Franck-Condon factors. These factors are given for transitions originating in the lowest vibrational level of the ground X 1Sigma(+) sub g state.

Graph transformation method for calculating waiting times in Markov chains.

PubMed

Trygubenko, Semen A; Wales, David J

2006-06-21

We describe an exact approach for calculating transition probabilities and waiting times in finite-state discrete-time Markov processes. All the states and the rules for transitions between them must be known in advance. We can then calculate averages over a given ensemble of paths for both additive and multiplicative properties in a nonstochastic and noniterative fashion. In particular, we can calculate the mean first-passage time between arbitrary groups of stationary points for discrete path sampling databases, and hence extract phenomenological rate constants. We present a number of examples to demonstrate the efficiency and robustness of this approach.

A calculation for radial expectation values of helium like actinide ions (Z=89-93)

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

Ürer, G., E-mail: gurer@sakarya.edu.tr; Arslan, M., E-mail: murat.arslan4@ogr.sakarya.edu.tr; Balkaya, E., E-mail: eda.balkaya@ogr.sakarya.edu.tr

2016-03-25

Radial expectation values, , for helium like actinides (Z{sub Ac}=89, Z{sub Th}=90, Z{sub Pa}=91, Z{sub U}=92, and Z{sub Np}=93) are reported using the Multiconfiguration Hartree-Fock (MCHF) within the framework Breit-Pauli corrections. Atomic data as energy levels, wavelengths, weighted oscillator strengths, and transition probabilities for allowed and forbidden transitions need these calculations. The obtained results are compared available works.

Level Energies, Oscillator Strengths and Lifetimes for Transitions in Pb IV

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

Colon, C.; Alonso-Medina, A.; Zanon, A.

2008-10-22

Oscillator strengths for several lines of astrophysical interest arising from some configurations and some levels radiative lifetimes of Pb IV have been calculated. These values were obtained in intermediate coupling (IC) and using ab initio relativistic Hartree-Fock calculations. We use for the IC calculations the standard method of least square fitting of experimental energy levels by means of computer codes from Cowan. Transition Probabilities and oscillator strengths obtained, although in general agreement with the rare experimental data, do present some noticeable discrepancies that are studied in the text.

Electric Quadrupole E2- Transitions of 170-174 Yb Isotopes

NASA Astrophysics Data System (ADS)

Abu El Sheikh, Mohd Kh. M.; Okhunov, Abdurahim A.; Usmanov, Ph. N.; Hassan, Torla HJ

2017-12-01

The non-adiabatic effects which is manifested in the electric properties of low-lying states of even-even deformed nuclei are studied. A simple phenomenological model which takes into account the Coriolis mixing of {K}π ={0}n+,{2}n+ and {K}π ={1}ν + state bands. The Calculations for isotopes 170-174 Yb, are carried out. The reduced probability of electric quadrupole transitions from the states {0}ν + and {2}ν + - bands to the ground (gr) state band is calculated and non adiabatic effect is discussed. The ratio of E2- transitions RIK from {0}2+, {0}3+, {2}1+, and {2}2+ bands are calculated and compared with the experimental data.

Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation

NASA Astrophysics Data System (ADS)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-03-01

This work calculates the potential energy curves of 9 Λ-S and 28 Ω states of the NCl+ cation. The technique employed is the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction. The Λ-S states are X2Π, 12Σ+, 14Π, 14Σ+, 14Σ-, 24Π, 14Δ, 16Σ+, and 16Π, which are yielded from the first two dissociation channels of NCl+ cation. The Ω states are generated from these Λ-S states. The 14Π, 14Δ, 16Σ+, and 16Π states are inverted with the spin-orbit coupling effect included. The 14Σ+, 16Σ+, and 16Π states are very weakly bound, whose well depths are only several-hundred cm- 1. One avoided crossing of PECs occurs between the 12Σ+ and 22Σ+ states. To improve the quality of potential energy curves, core-valence correlation and scalar relativistic corrections are included. The potential energies are extrapolated to the complete basis set limit. The spectroscopic parameters and vibrational levels are calculated. The transition dipole moments are computed. The Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many transitions are determined. The spectroscopic approaches are proposed for observing these states according to the transition probabilities. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The spectroscopic parameters, vibrational levels, transition dipole moments, as well as transition probabilities reported in this paper could be considered to be very reliable.

Control and instanton trajectories for random transitions in turbulent flows

NASA Astrophysics Data System (ADS)

Bouchet, Freddy; Laurie, Jason; Zaboronski, Oleg

2011-12-01

Many turbulent systems exhibit random switches between qualitatively different attractors. The transition between these bistable states is often an extremely rare event, that can not be computed through DNS, due to complexity limitations. We present results for the calculation of instanton trajectories (a control problem) between non-equilibrium stationary states (attractors) in the 2D stochastic Navier-Stokes equations. By representing the transition probability between two states using a path integral formulation, we can compute the most probable trajectory (instanton) joining two non-equilibrium stationary states. Technically, this is equivalent to the minimization of an action, which can be related to a fluid mechanics control problem.

Precise calculation of a bond percolation transition and survival rates of nodes in a complex network.

PubMed

Kawamoto, Hirokazu; Takayasu, Hideki; Jensen, Henrik Jeldtoft; Takayasu, Misako

2015-01-01

Through precise numerical analysis, we reveal a new type of universal loopless percolation transition in randomly removed complex networks. As an example of a real-world network, we apply our analysis to a business relation network consisting of approximately 3,000,000 links among 300,000 firms and observe the transition with critical exponents close to the mean-field values taking into account the finite size effect. We focus on the largest cluster at the critical point, and introduce survival probability as a new measure characterizing the robustness of each node. We also discuss the relation between survival probability and k-shell decomposition.

The calculation of neutron capture gamma-ray yields for space shielding applications

NASA Technical Reports Server (NTRS)

Yost, K. J.

1972-01-01

The application of nuclear models to the calculation of neutron capture and inelastic scattering gamma yields is discussed. The gamma ray cascade model describes the cascade process in terms of parameters which either: (1) embody statistical assumptions regarding electric and magnetic multipole transition strengths, level densities, and spin and parity distributions or (2) are fixed by experiment such as measured energies, spin and parity values, and transition probabilities for low lying states.

New Critical Compilations of Atomic Transition Probabilities for Neutral and Singly Ionized Carbon, Nitrogen, and Iron

NASA Technical Reports Server (NTRS)

Wiese, Wolfgang L.; Fuhr, J. R.

2006-01-01

We have undertaken new critical assessments and tabulations of the transition probabilities of important lines of these spectra. For Fe I and Fe II, we have carried out a complete re-assessment and update, and we have relied almost exclusively on the literature of the last 15 years. Our updates for C I, C II and N I, N II primarily address the persistent lower transitions as well as a greatly expanded number of forbidden lines (M1, M2, and E2). For these transitions, sophisticated multiconfiguration Hartree-Fock (MCHF) calculations have been recently carried out, which have yielded data considerably improved and often appreciably different from our 1996 NIST compilation.

Monolayer phosphorene under time-dependent magnetic field

NASA Astrophysics Data System (ADS)

Nascimento, J. P. G.; Aguiar, V.; Guedes, I.

2018-02-01

We obtain the exact wave function of a monolayer phosphorene under a low-intensity time-dependent magnetic field using the dynamical invariant method. We calculate the quantum-mechanical energy expectation value and the transition probability for a constant and an oscillatory magnetic field. For the former we observe that the Landau level energy varies linearly with the quantum numbers n and m and the magnetic field intensity B0. No transition takes place. For the latter, we observe that the energy oscillates in time, increasing linearly with the Landau level n and m and nonlinearly with the magnetic field. The (k , l) →(n , m) transitions take place only for l = m. We investigate the (0,0) →(n , 0) and (1 , l) and (2 , l) probability transitions.

Improved techniques for outgoing wave variational principle calculations of converged state-to-state transition probabilities for chemical reactions

NASA Technical Reports Server (NTRS)

Mielke, Steven L.; Truhlar, Donald G.; Schwenke, David W.

1991-01-01

Improved techniques and well-optimized basis sets are presented for application of the outgoing wave variational principle to calculate converged quantum mechanical reaction probabilities. They are illustrated with calculations for the reactions D + H2 yields HD + H with total angular momentum J = 3 and F + H2 yields HF + H with J = 0 and 3. The optimization involves the choice of distortion potential, the grid for calculating half-integrated Green's functions, the placement, width, and number of primitive distributed Gaussians, and the computationally most efficient partition between dynamically adapted and primitive basis functions. Benchmark calculations with 224-1064 channels are presented.

Energies, Wavelengths, and Transition Rates for Ga-Like Ions (Nd XXX-Tb XXXV)

NASA Astrophysics Data System (ADS)

El-Sayed, Fatma; Attia, S. M.

2016-03-01

Energies, wavelengths, transition probabilities, oscillator strengths, and line strengths have been calculated for 4s24p-4s4p2 and 4s24p-4s24d transitions in gallium-like ions from Z = 60 to 65, for Nd XXX, Pm XXXI, Sm XXXII, Eu XXXIII, Gd XXXIV, and Tb XXXV using the fully relativistic multiconfi guration Dirac-Fock method. The correlation with the n = 4 complex and the quantum electrodynamic effects have been considered in the calculations. The obtained results have been compared with the available experimental and other theoretical results.

Statistical Segmentation of Tone Sequences Activates the Left Inferior Frontal Cortex: A Near-Infrared Spectroscopy Study

ERIC Educational Resources Information Center

Abla, Dilshat; Okanoya, Kazuo

2008-01-01

Word segmentation, that is, discovering the boundaries between words that are embedded in a continuous speech stream, is an important faculty for language learners; humans solve this task partly by calculating transitional probabilities between sounds. Behavioral and ERP studies suggest that detection of sequential probabilities (statistical…

Theoretical study on the low-lying excited states of the phosphorus monoiodide (PI) including the spin-orbit coupling

NASA Astrophysics Data System (ADS)

Zhang, Xiaomei; Liu, Xiaoting; Liang, Guiying; Li, Rui; Xu, Haifeng; Yan, Bing

2016-01-01

The potential energy curves (PECs) of the 22 Λ-S states of the phosphorus monoiodide (PI) molecule have been calculated at the level of MRCI+Q method with correlation-consistent quadruple-ζ quality basis set. The spectroscopic constants of the bound states are determined, which well reproduce the available measurements. The metastable a1Δ state has been reported for the first time, which lies between the X3Σ- and b1Σ+ states and have much deeper well than the ground state. The R-dependent spin-orbit (SO) matrix elements are calculated with the full-electron Breit-Pauli operator. Based on the SO matrix elements, the perturbations that the 23Π state may suffer from are analyzed in detail. The SOC effect makes the original Λ-S states split into 51 Ω states. In the zero-field splitting of the ground state X3Σ-, the spin-spin coupling contribution (2.23 cm-1) is found to be much smaller compared to the spin-orbit coupling contribution (50 cm-1). The avoided crossings between the Ω states lead to much shallower potential wells and the change of dissociation relationships of the states. The Ω-state wavefunctions are analyzed depending on their Λ-S compositions, showing the strong interactions among several quasidegenerate Λ-S states of the same total SO symmetry. The transition properties including electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition moments (TMs), the Franck-Condon factors, the transition probabilities and the radiative lifetimes are computed for the transitions between Ω components of a1Δ and b1Σ+ states and ground state. The transition probabilities induced by the E1, E2, and M1 transitions are evaluated. The E2 makes little effect on transition probabilities. In contrast, the E1 transition makes the main contribution to the transition probability and the M1 transition also brings the influence that cannot be neglected. Finally, the radiative lifetimes are determined with the transition moments including E1 and M1. The lifetime of transition (2)0+-X10+ is evaluated at the level of millisecond, much smaller than that of the transition (2)0+-X21.

Peculiarities of high-overtone transition probabilities in carbon monoxide revealed by high-precision calculation

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

Medvedev, Emile S., E-mail: esmedved@orc.ru; Meshkov, Vladimir V.; Stolyarov, Andrey V.

In the recent work devoted to the calculation of the rovibrational line list of the CO molecule [G. Li et al., Astrophys. J., Suppl. Ser. 216, 15 (2015)], rigorous validation of the calculated parameters including intensities was carried out. In particular, the Normal Intensity Distribution Law (NIDL) [E. S. Medvedev, J. Chem. Phys. 137, 174307 (2012)] was employed for the validation purposes, and it was found that, in the original CO line list calculated for large changes of the vibrational quantum number up to Δn = 41, intensities with Δn > 11 were unphysical. Therefore, very high overtone transitions weremore » removed from the published list in Li et al. Here, we show how this type of validation is carried out and prove that the quadruple precision is indispensably required to predict the reliable intensities using the conventional 32-bit computers. Based on these calculations, the NIDL is shown to hold up for the 0 → n transitions till the dissociation limit around n = 83, covering 45 orders of magnitude in the intensity. The low-intensity 0 → n transition predicted in the work of Medvedev [Determination of a new molecular constant for diatomic systems. Normal intensity distribution law for overtone spectra of diatomic and polyatomic molecules and anomalies in overtone absorption spectra of diatomic molecules, Institute of Chemical Physics, Russian Academy of Sciences, Chernogolovka, 1984] at n = 5 is confirmed, and two additional “abnormal” intensities are found at n = 14 and 23. Criteria for the appearance of such “anomalies” are formulated. The results could be useful to revise the high-overtone molecular transition probabilities provided in spectroscopic databases.« less

Large-scale evaluation of β -decay rates of r -process nuclei with the inclusion of first-forbidden transitions

NASA Astrophysics Data System (ADS)

Marketin, T.; Huther, L.; Martínez-Pinedo, G.

2016-02-01

Background: r -process nucleosynthesis models rely, by necessity, on nuclear structure models for input. Particularly important are β -decay half-lives of neutron-rich nuclei. At present only a single systematic calculation exists that provides values for all relevant nuclei making it difficult to test the sensitivity of nucleosynthesis models to this input. Additionally, even though there are indications that their contribution may be significant, the impact of first-forbidden transitions on decay rates has not been systematically studied within a consistent model. Purpose: Our goal is to provide a table of β -decay half-lives and β -delayed neutron emission probabilities, including first-forbidden transitions, calculated within a fully self-consistent microscopic theoretical framework. The results are used in an r -process nucleosynthesis calculation to asses the sensitivity of heavy element nucleosynthesis to weak interaction reaction rates. Method: We use a fully self-consistent covariant density functional theory (CDFT) framework. The ground state of all nuclei is calculated with the relativistic Hartree-Bogoliubov (RHB) model, and excited states are obtained within the proton-neutron relativistic quasiparticle random phase approximation (p n -RQRPA). Results: The β -decay half-lives, β -delayed neutron emission probabilities, and the average number of emitted neutrons have been calculated for 5409 nuclei in the neutron-rich region of the nuclear chart. We observe a significant contribution of the first-forbidden transitions to the total decay rate in nuclei far from the valley of stability. The experimental half-lives are in general well reproduced for even-even, odd-A , and odd-odd nuclei, in particular for short-lived nuclei. The resulting data table is included with the article as Supplemental Material. Conclusions: In certain regions of the nuclear chart, first-forbidden transitions constitute a large fraction of the total decay rate and must be taken into account consistently in modern evaluations of half-lives. Both the β -decay half-lives and β -delayed neutron emission probabilities have a noticeable impact on the results of heavy element nucleosynthesis models.

The third spectrum of rhenium (Re III): Analysis of the (5d5 + 5d46s)-(5d46p + 5d36s6p) transition array

NASA Astrophysics Data System (ADS)

Azarov, Vladimir I.; Gayasov, Robert R.

2018-05-01

The spectrum of rhenium was observed in the (1017-2074) Å wavelength region. The (5d5 + 5d46s)-(5d46p + 5d36s6p) transition array of two times ionized rhenium, Re III, has been investigated and 1305 spectral lines have been classified in the region. The analysis has led to the determination of the 5d5, 5d46s, 5d46p and 5d36s6p configurations. Seventy levels of the 5d5 and 5d46s configurations in the even system and 161 levels of the 5d46p and 5d36s6p configurations in the odd system have been established. The orthogonal operators technique was used to calculate the level structure and transition probabilities. The energy parameters have been determined by the least squares fit to the observed levels. Calculated transition probability and energy values, as well as LS-compositions obtained from the fitted parameters are presented.

A Procedure for Deriving Formulas to Convert Transition Rates to Probabilities for Multistate Markov Models.

PubMed

Jones, Edmund; Epstein, David; García-Mochón, Leticia

2017-10-01

For health-economic analyses that use multistate Markov models, it is often necessary to convert from transition rates to transition probabilities, and for probabilistic sensitivity analysis and other purposes it is useful to have explicit algebraic formulas for these conversions, to avoid having to resort to numerical methods. However, if there are four or more states then the formulas can be extremely complicated. These calculations can be made using packages such as R, but many analysts and other stakeholders still prefer to use spreadsheets for these decision models. We describe a procedure for deriving formulas that use intermediate variables so that each individual formula is reasonably simple. Once the formulas have been derived, the calculations can be performed in Excel or similar software. The procedure is illustrated by several examples and we discuss how to use a computer algebra system to assist with it. The procedure works in a wide variety of scenarios but cannot be employed when there are several backward transitions and the characteristic equation has no algebraic solution, or when the eigenvalues of the transition rate matrix are very close to each other.

Two-Photon Transitions in Hydrogen-Like Atoms

NASA Astrophysics Data System (ADS)

Martinis, Mladen; Stojić, Marko

Different methods for evaluating two-photon transition amplitudes in hydrogen-like atoms are compared with the improved method of direct summation. Three separate contributions to the two-photon transition probabilities in hydrogen-like atoms are calculated. The first one coming from the summation over discrete intermediate states is performed up to nc(max) = 35. The second contribution from the integration over the continuum states is performed numerically. The third contribution coming from the summation from nc(max) to infinity is calculated in an approximate way using the mean level energy for this region. It is found that the choice of nc(max) controls the numerical error in the calculations and can be used to increase the accuracy of the results much more efficiently than in other methods.

Current recommendations on the estimation of transition probabilities in Markov cohort models for use in health care decision-making: a targeted literature review.

PubMed

Olariu, Elena; Cadwell, Kevin K; Hancock, Elizabeth; Trueman, David; Chevrou-Severac, Helene

2017-01-01

Although Markov cohort models represent one of the most common forms of decision-analytic models used in health care decision-making, correct implementation of such models requires reliable estimation of transition probabilities. This study sought to identify consensus statements or guidelines that detail how such transition probability matrices should be estimated. A literature review was performed to identify relevant publications in the following databases: Medline, Embase, the Cochrane Library, and PubMed. Electronic searches were supplemented by manual-searches of health technology assessment (HTA) websites in Australia, Belgium, Canada, France, Germany, Ireland, Norway, Portugal, Sweden, and the UK. One reviewer assessed studies for eligibility. Of the 1,931 citations identified in the electronic searches, no studies met the inclusion criteria for full-text review, and no guidelines on transition probabilities in Markov models were identified. Manual-searching of the websites of HTA agencies identified ten guidelines on economic evaluations (Australia, Belgium, Canada, France, Germany, Ireland, Norway, Portugal, Sweden, and UK). All identified guidelines provided general guidance on how to develop economic models, but none provided guidance on the calculation of transition probabilities. One relevant publication was identified following review of the reference lists of HTA agency guidelines: the International Society for Pharmacoeconomics and Outcomes Research taskforce guidance. This provided limited guidance on the use of rates and probabilities. There is limited formal guidance available on the estimation of transition probabilities for use in decision-analytic models. Given the increasing importance of cost-effectiveness analysis in the decision-making processes of HTA bodies and other medical decision-makers, there is a need for additional guidance to inform a more consistent approach to decision-analytic modeling. Further research should be done to develop more detailed guidelines on the estimation of transition probabilities.

The photon-plasmon transitions and diagnostics of the space plasma turbulence

NASA Astrophysics Data System (ADS)

Glushkov, Alexander; Glushkov, Alexander; Khetselius, Olga

We present a new approach to treating the space plasma turbulence, based on using to make diagnostic data regarding the photon-plasmon transitions. The theoretical definition of characteristics for these transitions is caried out within consistent theoretical approach, based on the Gell-Mann and Low formalism (energy approach in QED theory).We apply it to calculation of such transitions (Ps) with emission of photon and Langmuir quanta. It is well known that the hfs states of positronium Ps Ps differ in spin S, life time t and mode of annihilation. As a rule, probabilities of the cascade radiation transitions are more than the annihilation probability. The ortho-Ps atom has a metastable state 23s1 and probability of two-photon radiation transition from this state into 13s1 state (1.8•10(-3) 1/s) is significantly less than probability of the three-photon annihilation directly from 23s1level 8.9•10(5) s(-1), i.e. it is usually supposed that the ortho-Ps annihilates from 23s1state. Another situation may take place in plasma, where it is arisen the competition process of destruction of the metastable level - the photonplasmon transition 23s1-13s1with emission of photon and Langmuir quanta. In this paper we carried out the calculation of the probability of the Ps photon-plasmon transition and propose tu use it for diagnostics of the space plasma (dusty one etc.).Standard S-matrix calculation with using an expression for tensor of dielectric permeability of the isotropic space plasma and dispersion relationships for transverse and Langmuir waves [3] allows getting the corresponding probability P(ph-pl). Numerical value of P(ph-pl) is 5.2•10(6)•UL(s-1), where UL is density of the Langmuir waves energy. Our value is correlated with estimate, available in literature [3]: P(phpl)= 6•10(6)•UL (s-1). Comparison of the obtained probability with the life time t(3) allows getting the condition of predominance of the photon-plasmon transition over three-photon annihilation. It is demonstrated how the considered transition may control the population of 23s1 level and search of the long-lived Ps state that is further used for diagnostics of the space plasma turbulence. At last the experimental realization of the indicated methodics is discussed. References: 1. L.N.Ivanov, V.S.Letokhov, Com.Mod.Phys.D: At.Mol.Phys. 4,169 (1985); A.V.Glushkov, L.N.Ivanov, Phys.Lett.A,170, 36 (1992); Preprint of Institute for Specteroscopy of RAS, N AS-2, Troitsk (1992); L.N.Ivanov,E.P.Ivanova, L.V.Knight, Phys.Rev.A 48 4365 (1993); A.V.Glushkov,E.P.Ivanova, J.Quant.Spectr.Rad.Tr.(US) 36,127 (1986); 2. A.V.Glushkov,S.V.Malin etal, Bound Vol. Paris-Meudon Observ.,1995; J.Techn.Phys. 38 211, 219 (1997); In: New projects and new lines of research in nuclear physics. Eds. G.Fazio and F.Hanappe, Singapore : World Scientific.-2003.- P.242-250 ; Int.J.Quant.Chem. 99, 889 (2004); 104, 512 (2005). 3. V.I.Gol'dansky, Physical Chemistry of Positron and Positronium.-N.-Y., 1976;S.A.Kaplan, V.N.Tsytoivich, Plasma astrophysics.-Moscow, 1987; V.I.Gol'dansky, V.S.Letokhov, JETP 67, 533 (1974).

Precise Calculation of a Bond Percolation Transition and Survival Rates of Nodes in a Complex Network

PubMed Central

Kawamoto, Hirokazu; Takayasu, Hideki; Jensen, Henrik Jeldtoft; Takayasu, Misako

2015-01-01

Through precise numerical analysis, we reveal a new type of universal loopless percolation transition in randomly removed complex networks. As an example of a real-world network, we apply our analysis to a business relation network consisting of approximately 3,000,000 links among 300,000 firms and observe the transition with critical exponents close to the mean-field values taking into account the finite size effect. We focus on the largest cluster at the critical point, and introduce survival probability as a new measure characterizing the robustness of each node. We also discuss the relation between survival probability and k-shell decomposition. PMID:25885791

Transition probabilities in neutron-rich Se,8684

NASA Astrophysics Data System (ADS)

Litzinger, J.; Blazhev, A.; Dewald, A.; Didierjean, F.; Duchêne, G.; Fransen, C.; Lozeva, R.; Sieja, K.; Verney, D.; de Angelis, G.; Bazzacco, D.; Birkenbach, B.; Bottoni, S.; Bracco, A.; Braunroth, T.; Cederwall, B.; Corradi, L.; Crespi, F. C. L.; Désesquelles, P.; Eberth, J.; Ellinger, E.; Farnea, E.; Fioretto, E.; Gernhäuser, R.; Goasduff, A.; Görgen, A.; Gottardo, A.; Grebosz, J.; Hackstein, M.; Hess, H.; Ibrahim, F.; Jolie, J.; Jungclaus, A.; Kolos, K.; Korten, W.; Leoni, S.; Lunardi, S.; Maj, A.; Menegazzo, R.; Mengoni, D.; Michelagnoli, C.; Mijatovic, T.; Million, B.; Möller, O.; Modamio, V.; Montagnoli, G.; Montanari, D.; Morales, A. I.; Napoli, D. R.; Niikura, M.; Pollarolo, G.; Pullia, A.; Quintana, B.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Scarlassara, F.; Söderström, P.-A.; Stefanini, A. M.; Stezowski, O.; Szilner, S.; Theisen, Ch.; Valiente Dobón, J. J.; Vandone, V.; Vogt, A.

2015-12-01

Reduced quadrupole transition probabilities for low-lying transitions in neutron-rich Se,8684 are investigated with a recoil distance Doppler shift (RDDS) experiment. The experiment was performed at the Istituto Nazionale di Fisica Nucleare (INFN) Laboratori Nazionali di Legnaro using the Cologne Plunger device for the RDDS technique and the AGATA Demonstrator array for the γ -ray detection coupled to the PRISMA magnetic spectrometer for an event-by-event particle identification. In 86Se the level lifetime of the yrast 21+ state and an upper limit for the lifetime of the 41+ state are determined for the first time. The results of 86Se are in agreement with previously reported predictions of large-scale shell-model calculations using Ni78-I and Ni78-II effective interactions. In addition, intrinsic shape parameters of lowest yrast states in 86Se are calculated. In semimagic 84Se level lifetimes of the yrast 41+ and 61+ states are determined for the first time. Large-scale shell-model calculations using effective interactions Ni78-II, JUN45, jj4b, and jj4pna are performed. The calculations describe B (E 2 ;21+→01+) and B (E 2 ;61+→41+) fairly well and point out problems in reproducing the experimental B (E 2 ;41+→21+) .

Energy levels, wavelengths, and radiative transition probabilities for the Na-like ions with 38 [le] Z [le] 45

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

Ying Zhang; Qiren Zhu; Shoufu Pan

1992-11-01

The investigation by Z.-Q Zhang et al. (Acta Optica Sinica 11, 193, 1991) shows that it is possible to realize soft X-ray lasing in the water window 23.3-43.8 [Angstrom] with the Na-like recombination scheme, which requires a lower pumping power at a high-power laser facility than that with other schemes. The fine-structure levels with n [le] 15 and l [le] 6 in Na-like ions with 38 [le] Z [le] 45 and the probabilities for radiative transitions between these levels are calculated using the multiconfiguration Dirac-Fock approach. The calculations show that the wavelengths of the anticipated laser transitions 6 f-4d andmore » 6g-4f in the Na-like ions with 38 [le] Z [le] 43 and 5f-4d and 5g-4f in the Na-like ions with 40 [le] Z [le] 45 lie in the region of the water window.« less

Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo

DOE PAGES

Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; ...

2015-10-09

Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.

Evaluation of the photoionization probability of H2+ by the trajectory semiclassical method

NASA Astrophysics Data System (ADS)

Arkhipov, D. N.; Astashkevich, S. A.; Mityureva, A. A.; Smirnov, V. V.

2018-07-01

The trajectory-based method for calculating the probabilities of transitions in the quantum system developed in our previous works and tested for atoms is applied to calculating the photoionization probability for the simplest molecule - hydrogen molecular ion. In a weak field it is established a good agreement between our photoionization cross section and the data obtained by other theoretical methods for photon energy in the range from one-photon ionization threshold up to 25 a.u. Photoionization cross section in the range 25 < ω ≤ 100 a.u. was calculated for the first time judging by the literature known to us. It is also confirmed that the trajectory method works in a wide range of the field magnitudes including superatomic values up to relativistic intensity.

Cross-Over Between Different Symmetries

NASA Astrophysics Data System (ADS)

Frauendorf, S.

2014-09-01

The yrast states of even even vibrational and transitional nuclei are interpreted as a rotating condensate of interacting d-bosons. The corresponding semi-classical tidal wave concept is used for microscopic calculations of energies and E2 transition probabilities. The strong octupole correlations in the light rare earth and actinide nuclides are interpreted as rotation-induced condensation of interacting f-bosons.

Schematic microscopic approach to the description of M1 transitions between mixed-symmetry and fully symmetric collective states in {gamma}-soft nuclei based on RPA-IBM boson mapping

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

Jolos, R. V.; Shirikova, N. Yu.; Voronov, V. V.

A schematic microscopic method is developed to calculate the M1 transition probabilities between the mixed-symmetry and the fully symmetric states in {gamma}-soft nuclei. The method is based on the random-phase approximation-interacting boson model (RPA-IBM) boson mapping of the most collective isoscalar boson. All other boson modes with higher excitation energies, including the mixed-symmetry boson, are described in the framework of RPA. As an example the M1 transition probabilities are calculated for the {sup 124-134}Xe isotopes and compared with the experimental data. The results agree well with the data for the ratio B(M1;1{sub ms}{sup +}{yields}2{sub 2}{sup +})/B(M1;1{sub ms}{sup +}{yields}0{sub 1}{sup +}).more » However, the calculated ratio B(M1;2{sub ms}{sup +}{yields}2{sub 1}{sup +})/B(M1;1{sub ms}{sup +}{yields}0{sub 1}{sup +}) shows a significantly weaker dependence on the mass number than the experimental data.« less

Novel Δ J =1 Sequence in 78Ge: Possible Evidence for Triaxiality

NASA Astrophysics Data System (ADS)

Forney, A. M.; Walters, W. B.; Chiara, C. J.; Janssens, R. V. F.; Ayangeakaa, A. D.; Sethi, J.; Harker, J.; Alcorta, M.; Carpenter, M. P.; Gürdal, G.; Hoffman, C. R.; Kay, B. P.; Kondev, F. G.; Lauritsen, T.; Lister, C. J.; McCutchan, E. A.; Rogers, A. M.; Seweryniak, D.; Stefanescu, I.; Zhu, S.

2018-05-01

A sequence of low-energy levels in Ge783246 has been identified with spins and parity of 2+, 3+, 4+, 5+, and 6+. Decays within this band proceed strictly through Δ J =1 transitions, unlike similar sequences in neighboring Ge and Se nuclei. Above the 2+ level, members of this sequence do not decay into the ground-state band. Moreover, the energy staggering of this sequence has the phase that would be expected for a γ -rigid structure. The energies and branching ratios of many of the levels are described well by shell-model calculations. However, the calculated reduced transition probabilities for the Δ J =2 in-band transitions imply that they should have been observed, in contradiction with the experiment. Within the calculations of Davydov, Filippov, and Rostovsky for rigid-triaxial rotors with γ =3 0 ° , there are sequences of higher-spin levels connected by strong Δ J =1 transitions which decay in the same manner as those observed experimentally, yet are calculated at too high an excitation energy.

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

Abou El-Maaref, A., E-mail: aahmh@hotmail.com; Allam, S.H.; El-Sherbini, Th.M.

The energy levels, oscillator strengths, line strengths, and transition probabilities for transitions among the terms belonging to the 3s{sup 2}3p{sup 2}, 3s3p{sup 3}, 3s{sup 2}3p3d, 3s{sup 2}3p4s, 3s{sup 2}3p4p and 3s{sup 2}3p4d configurations of silicon-like ions (Zn XVII, Ga XVIII, Ge XIX, and As XX) have been calculated using the configuration-interaction code CIV3. The calculations have been carried out in the intermediate coupling scheme using the Breit–Pauli Hamiltonian. The present calculations have been compared with the available experimental data and other theoretical calculations. Most of our calculations of energy levels and oscillator strengths (in length form) show good agreement withmore » both experimental and theoretical data. Lifetimes of the excited levels have also been calculated. -- Highlights: •We have calculated the fine-structure energy levels of Si-like Zn, Ga, Ge and As. •The calculations are performed using the configuration interaction method (CIV3). •We have calculated the oscillator strengths, line strengths and transition rates. •The wavelengths of the transitions are listed in this article. •We also have made comparisons between our data and other calculations.« less

Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samarium like ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla; Beiersdorfer, Peter

2013-05-01

Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2 + 5p2 + 5d2 + 5 s 5 d + 5 s 5 g + 5 p 5 f) - (5 s 5 p + 5 s 5 f + 5 p 5 d + 5 p 5 g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 4f14 Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (COWAN code) to estimate contribution of the 4 f -core-excited states. Trends of excitation energies and oscillator strengths as function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured properti. This research was sponsored by the grant DE-FG02-08ER54951.

Systematic shell-model study of β -decay properties and Gamow-Teller strength distributions in A ≈40 neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Yoshida, Sota; Utsuno, Yutaka; Shimizu, Noritaka; Otsuka, Takaharu

2018-05-01

We perform large-scale shell-model calculations of β -decay properties for neutron-rich nuclei with 13 ≤Z ≤18 and 22 ≤N ≤34 , taking the first-forbidden transitions into account. The natural-parity and unnatural-parity states are calculated in the 0 ℏ ω and 1 ℏ ω model spaces, respectively, within the full s d +p f +s d g valence shell. The calculated β -decay half-lives and β -delayed neutron emission probabilities show good agreement with the experimental data. The first-forbidden transitions make a non-negligible contribution to the half-lives of N ≳28 nuclei. The low-lying Gamow-Teller strengths of even-even nuclei are considerably larger than those of the neighboring odd-A and odd-odd nuclei, strongly affecting the half-lives and neutron emission probabilities. It is shown that this even-odd effect is caused by the Jπ=1+ proton-neutron pairing interaction. We derive a formula to represent the positions of the Gamow-Teller giant resonances from the calculated strength distributions.

Quantum mechanical reaction probability of triplet ketene at the multireference second-order perturbation level of theory.

PubMed

Ogihara, Yusuke; Yamamoto, Takeshi; Kato, Shigeki

2010-09-23

Triplet ketene exhibits a steplike structure in the experimentally observed dissociation rates, but its mechanism is still unknown despite many theoretical efforts in the past decades. In this paper we revisit this problem by quantum mechanically calculating the reaction probability with multireference-based electronic structure theory. Specifically, we first construct an analytical potential energy surface of triplet state by fitting it to about 6000 ab initio energies computed at the multireference second-order Mller-Plesset perturbation (MRMP2) level. We then evaluate the cumulative reaction probability by using the transition state wave packet method together with an adiabatically constrained Hamiltonian. The result shows that the imaginary barrier frequency on the triplet surface is 328i cm-1, which is close to the CCSD(T) result (321i cm-1) but is likely too large for reproducing the experimentally observed steps. Indeed, our calculated reaction probability exhibits no signature of steps, reflecting too strong tunneling effect along the reaction coordinate. Nevertheless, it is emphasized that the flatness of the potential profile in the transition-state region (which governs the degree of tunneling) depends strongly on the level of electronic structure calculation, thus leaving some possibility that the use of more accurate theories might lead to the observed steps. We also demonstrate that the triplet potential surface differs significantly between the CASSCF and MRMP2 results, particularly in the transition-state region. This fact seems to require more attention when studying the "nonadiabatic" scenario for the steps, in which the crossing seam between S0 and T1 surfaces is assumed to play a central role.

A stochastic Markov chain model to describe lung cancer growth and metastasis.

PubMed

Newton, Paul K; Mason, Jeremy; Bethel, Kelly; Bazhenova, Lyudmila A; Nieva, Jorge; Kuhn, Peter

2012-01-01

A stochastic Markov chain model for metastatic progression is developed for primary lung cancer based on a network construction of metastatic sites with dynamics modeled as an ensemble of random walkers on the network. We calculate a transition matrix, with entries (transition probabilities) interpreted as random variables, and use it to construct a circular bi-directional network of primary and metastatic locations based on postmortem tissue analysis of 3827 autopsies on untreated patients documenting all primary tumor locations and metastatic sites from this population. The resulting 50 potential metastatic sites are connected by directed edges with distributed weightings, where the site connections and weightings are obtained by calculating the entries of an ensemble of transition matrices so that the steady-state distribution obtained from the long-time limit of the Markov chain dynamical system corresponds to the ensemble metastatic distribution obtained from the autopsy data set. We condition our search for a transition matrix on an initial distribution of metastatic tumors obtained from the data set. Through an iterative numerical search procedure, we adjust the entries of a sequence of approximations until a transition matrix with the correct steady-state is found (up to a numerical threshold). Since this constrained linear optimization problem is underdetermined, we characterize the statistical variance of the ensemble of transition matrices calculated using the means and variances of their singular value distributions as a diagnostic tool. We interpret the ensemble averaged transition probabilities as (approximately) normally distributed random variables. The model allows us to simulate and quantify disease progression pathways and timescales of progression from the lung position to other sites and we highlight several key findings based on the model.

Olefin Epoxidation by Methyltrioxorhenium: A Density Functional Study on Energetics and Mechanisms.

PubMed

Gisdakis, Philip; Antonczak, Serge; Köstlmeier, Sibylle; Herrmann, Wolfgang A; Rösch, Notker

1998-09-04

A spiro attack on a peroxo group is calculated to be the preferred reaction pathway for olefin epoxidation with the catalytic system CH 3 ReO 3 /H 2 O 2 (see picture). This finding is supported by density functional calculations on more than ten transition states for the most probable mechanisms. Hydration has significant effects on various reaction species: it stabilizes the intermediates and destabilizes, with one exception, the transition states. © 1998 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Electron impact excitation of highly charged sodium-like ions

NASA Technical Reports Server (NTRS)

Blaha, M.; Davis, J.

1978-01-01

Optical transition probabilities and electron collision strengths for Ca X, Fe XVI, Zn XX, Kr XXVI and Mo XXXII are calculated for transitions between n equal to 3 and n equal to 4 levels. The calculations neglect relativistic effects on the radial functions. A semi-empirical approach provides wave functions of the excited states; a distorted wave function without exchange is employed to obtain the excitation cross sections. The density dependence of the relative intensities of certain emission lines in the sodium isoelectronic sequence is also discussed.

VizieR Online Data Catalog: Atomic data for X-ray lines of FeVIII and FeIX (O'Dwyer+, 2012)

NASA Astrophysics Data System (ADS)

O'Dwyer, B.; Del Zanna, G.; Badnell, N. R.; Mason, H. E.; Storey, P. J.

2012-04-01

The distorted wave extension of the autostructure code has been used to calculate energy levels, radiative transition probabilities and collisional excitation rates of Fe VIII and Fe IX up to n=6 for Fe IX and n=7 for Fe VIII. We have compared some of the data with previous calculations, finding overall agreement for radiative transition rates, but interesting differences for some collisional data. ************************************************************************** * * * Sorry, but the author(s) never supplied the tabular material * * announced in the paper * * * **************************************************************************

S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering

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

Manthe, Uwe, E-mail: uwe.manthe@uni-bielefeld.de; Ellerbrock, Roman, E-mail: roman.ellerbrock@uni-bielefeld.de

2016-05-28

A new approach for the quantum-state resolved analysis of polyatomic reactions is introduced. Based on the singular value decomposition of the S-matrix, energy-dependent natural reaction channels and natural reaction probabilities are defined. It is shown that the natural reaction probabilities are equal to the eigenvalues of the reaction probability operator [U. Manthe and W. H. Miller, J. Chem. Phys. 99, 3411 (1993)]. Consequently, the natural reaction channels can be interpreted as uniquely defined pathways through the transition state of the reaction. The analysis can efficiently be combined with reactive scattering calculations based on the propagation of thermal flux eigenstates. Inmore » contrast to a decomposition based straightforwardly on thermal flux eigenstates, it does not depend on the choice of the dividing surface separating reactants from products. The new approach is illustrated studying a prototypical example, the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction. The natural reaction probabilities and the contributions of the different vibrational states of the methyl product to the natural reaction channels are calculated and discussed. The relation between the thermal flux eigenstates and the natural reaction channels is studied in detail.« less

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site.

PubMed

Kaliakin, Danil S; Zaari, Ryan R; Varganov, Sergey A

2015-02-12

We investigate the effect of H2 binding on the spin-forbidden nonadiabatic transition probability between the lowest energy singlet and triplet electronic states of [NiFe]-hydrogenase active site model, using a velocity averaged Landau-Zener theory. Density functional and multireference perturbation theories were used to provide parameters for the Landau-Zener calculations. It was found that variation of the torsion angle between the terminal thiolate ligands around the Ni center induces an intersystem crossing between the lowest energy singlet and triplet electronic states in the bare active site and in the active site with bound H2. Potential energy curves between the singlet and triplet minima along the torsion angle and H2 binding energies to the two spin states were calculated. Upon H2 binding to the active site, there is a decrease in the torsion angle at the minimum energy crossing point between the singlet and triplet states. The probability of nonadiabatic transitions at temperatures between 270 and 370 K ranges from 35% to 32% for the active site with bound H2 and from 42% to 38% for the bare active site, thus indicating the importance of spin-forbidden nonadiabatic pathways for H2 binding on the [NiFe]-hydrogenase active site.

KINETIC ENERGY DISTRIBUTION OF H(1s) FROM H{sub 2} X {sup 1}{Sigma}{sup +} {sub g}-a {sup 3}{Sigma}{sup +} {sub g} EXCITATION AND LIFETIMES AND TRANSITION PROBABILITIES OF a {sup 3}{Sigma}{sup +} {sub g}(v, J)

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

Liu Xianming; Johnson, Paul V.; Malone, Charles P.

Dissociative excitation of molecular hydrogen plays an important role in the heating of outer planet upper thermospheres. This paper addresses the role of one of the triplet states involved in the process. H{sub 2} excited to the a {sup 3}{Sigma}{sup +} {sub g} state, or higher triplet-ungerade states, is dissociated via the a {sup 3}{Sigma}{sup +} {sub g}-b {sup 3}{Sigma}{sup +} {sub u} continuum. The kinetic energy distribution of H(1s) produced from direct X {sup 1}{Sigma}{sup +} {sub g}-a {sup 3}{Sigma}{sup +} {sub g}(v, J) excitation by electrons is investigated by an accurate theoretical evaluation of spontaneous transition probabilities ofmore » the a {sup 3}{Sigma}{sup +} {sub g}(v, J)-b {sup 3}{Sigma}{sup +} {sub u} continuum transition. It is shown that the X {sup 1}{Sigma}{sup +} {sub g}(0)-a {sup 3}{Sigma}{sup +} {sub g}(v, J) excitation primarily produces H(1s) atoms with kinetic energies lower than 2 eV. In addition to the continuum a {sup 3}{Sigma}{sup +} {sub g}(v, J)-b {sup 3}{Sigma}{sup +} {sub u} transition probabilities, spontaneous emission lifetimes of the a {sup 3}{Sigma}{sup +} {sub g}(v, J) (v = 0-20, J {<=} 14) levels have been calculated by considering both the a {sup 3}{Sigma}{sup +} {sub g}-b {sup 3}{Sigma}{sup +} {sub u} and a {sup 3}{Sigma}{sup +} {sub g}-c {sup 3}{Pi} {sub u} transitions. The calculated lifetimes show a moderately strong rotational dependence, and the lifetimes for the J = 0 rotational level of the low v levels agree well with previous calculations and experimental measurements. Calculations of the a {sup 3}{Sigma}{sup +} {sub g}-b {sup 3}{Sigma}{sup +} {sub u} continuum emission spectra from electron impact X {sup 1}{Sigma}{sup +} {sub g}-a {sup 3}{Sigma}{sup +} {sub g} excitation are included.« less

Analysis of the spectrum of the (5d6+5d56s) -(5d56p+5d46s6p) transitions of two times ionized osmium (Os III)

NASA Astrophysics Data System (ADS)

Azarov, Vladimir I.; Tchang-Brillet, W.-Ü. Lydia; Gayasov, Robert R.

2018-05-01

The spectrum of osmium was observed in the (225-2100) Å wavelength region. The (5d6 + 5d56s) - (5d56p + 5d46s6p) transition array of two times ionized osmium, Os III, has been investigated and 1039 spectral lines have been classified in the region. The analysis has led to the determination of the 5d6, 5d56s, 5d56p and 5d46s6p configurations. Fifty-eight levels of the 5d6 and 5d56s configurations in the even system and 142 levels of the 5d56p and 5d46s6p configurations in the odd system have been established. The orthogonal operators technique was used to calculate the level structure and transition probabilities. The energy parameters have been determined by the least squares fit to the observed levels. Calculated transition probability and energy values, as well as LS-compositions obtained from the fitted parameters are presented.

Ab initio MCHF structural calculations of Mg-like cerium

NASA Astrophysics Data System (ADS)

Wajid, Abdul; Jabeen, S.; Husain, Abid

2018-05-01

Energy levels and emission line wavelengths of high-Z materials are useful for impurity diagnostics in the next generation fusion devices. For this here we have calculated E1, M2 transitions, oscillator strengths, and transition probabilities for transitions among the terms belonging to the 2p63s2, 2p63s3p, 2p63p2 and 2p63s3d for the Magnesium like cerium (Ce XLVII) using the GRASP2K package based on the fully relativistic multi-configuration Dirac-Fock method. The electron correlation effects, Breit interaction and quantum electrodynamics effects to the atomic state wave functions and the corresponding energies have been taken into account.

Oscillator Strengths of Allowed and Intercombination Transitions in Neutral Sulfur

NASA Technical Reports Server (NTRS)

Tayal, S. S.

1998-01-01

We have calculated oscillator strengths and transition probabilities of electric-dipole allowed and intercombination transitions from fine-structure levels of the ground 3s(sup 2)3p(sup 4) configuration to the levels belonging to configurations 3s(sup 2)3p(sup 3)4s, 3s(sup 2) 3p(sup 3)5s, 3(sup 2)3p(sup 3)3d, 3s(sup 2)3p(sup 3)4d of neutral sulfur. Extensive configuration-interaction wave functions are used to represent these levels. The relativistic corrections have been included through the Breit-Pauli Hamiltonian. The results are compared with previous theoretical calculations and with measurements.

Ultraviolet emission lines of Si II in cool star and solar spectra

NASA Astrophysics Data System (ADS)

Laha, Sibasish; Keenan, Francis P.; Ferland, Gary J.; Ramsbottom, Catherine A.; Aggarwal, Kanti M.; Ayres, Thomas R.; Chatzikos, Marios; van Hoof, Peter A. M.; Williams, Robin J. R.

2016-01-01

Recent atomic physics calculations for Si II are employed within the CLOUDY modelling code to analyse Hubble Space Telescope (HST) STIS ultraviolet spectra of three cool stars, β Geminorum, α Centauri A and B, as well as previously published HST/GHRS observations of α Tau, plus solar quiet Sun data from the High Resolution Telescope and Spectrograph. Discrepancies found previously between theory and observation for line intensity ratios involving the 3s23p 2PJ-3s3p2 4P_{J^' }} intercombination multiplet of Si II at ˜ 2335 Å are significantly reduced, as are those for ratios containing the 3s23p 2PJ-3s3p2 2D_{J^' }} transitions at ˜1816 Å. This is primarily due to the effect of the new Si II transition probabilities. However, these atomic data are not only very different from previous calculations, but also show large disagreements with measurements, specifically those of Calamai et al. for the intercombination lines. New measurements of transition probabilities for Si II are hence urgently required to confirm (or otherwise) the accuracy of the recently calculated values. If the new calculations are confirmed, then a long-standing discrepancy between theory and observation will have finally been resolved. However, if the older measurements are found to be correct, then the agreement between theory and observation is simply a coincidence and the existing discrepancies remain.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V II)

NASA Astrophysics Data System (ADS)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V II, have been compiled. The experimentally derived energy levels belong to the configurations 3d 4, 3d 3 ns (n = 4, 5, 6), 3d 3 np, and 3d 3 nd (n = 4, 5), 3d 34f, 3d 24s 2, and 3d 24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm-1, corresponding to 14.634(7) eV. This is 130 cm-1 higher than the previously recommended value from Iglesias et al.

Relativistic Atomic Data for Lines in Ge-Like Sm and Eu Ions

NASA Astrophysics Data System (ADS)

Nagy, O.; El Sayed, Fatma

2012-11-01

Energies, wavelengths, transition probabilities, and oscillator strengths have been calculated for the 4s24p2 - 4s4p3, 4s24p2 - 4s24p4d and 4s4p3 - 4p4 allowed transitions in heavy Ge-like Sm and Eu ions. The fully relativistic Multiconfiguration Dirac-Fock (MCDF) method taking into account both the correlations within the n = 4 complex and the quantum electrodynamic (QED) effects have been used in the calculations. MCDFGME code is used to calculate electron impact excitation cross sections for the 4s24p2 - 4s4p3, and 4s24p2 - 4s24p4d transitions with plane-wave Born approximation. The results of SmXXXI and Eu XXXII are compared with HFR method results.

Energy levels and radiative rates for Ne-like ions from Cu to Ga

NASA Astrophysics Data System (ADS)

Singh, Narendra; Aggarwal, Sunny

2017-11-01

Energy levels, lifetimes and wave function compositions are computed for 127 fine structural levels in Ne-like ions (Z=29{-}31). Configuration interaction has been included among 51 configurations (generating 1016 levels) and multiconfigurational Dirac-Fock method is used to generate the wave functions. Similar calculations have also been performed using the fully relativistic flexible atomic code (FAC). Transition wavelength, oscillator strength, transition probabilities and line strength are reported for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2) transitions from the ground level. We compared our calculated results with the available data in the literature. The calculated results are found to be in close agreement with the previous results. Further, we predict some new atomic data which may be important for plasma diagnostics.

Exact numerical calculation of fixation probability and time on graphs.

PubMed

Hindersin, Laura; Möller, Marius; Traulsen, Arne; Bauer, Benedikt

2016-12-01

The Moran process on graphs is a popular model to study the dynamics of evolution in a spatially structured population. Exact analytical solutions for the fixation probability and time of a new mutant have been found for only a few classes of graphs so far. Simulations are time-expensive and many realizations are necessary, as the variance of the fixation times is high. We present an algorithm that numerically computes these quantities for arbitrary small graphs by an approach based on the transition matrix. The advantage over simulations is that the calculation has to be executed only once. Building the transition matrix is automated by our algorithm. This enables a fast and interactive study of different graph structures and their effect on fixation probability and time. We provide a fast implementation in C with this note (Hindersin et al., 2016). Our code is very flexible, as it can handle two different update mechanisms (Birth-death or death-Birth), as well as arbitrary directed or undirected graphs. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Opinion evolution and rare events in an open community

NASA Astrophysics Data System (ADS)

Ye, Yusong; Yang, Zhuoqin; Zhang, Zili

2016-11-01

There are many multi-stable phenomena in society. To explain these multi-stable phenomena, we have studied opinion evolution in an open community. We focus on probability of transition (or the mean transition time) that the system transfer from one state to another. We suggest a bistable model to provide an interpretation of these phenomena. The quasi-potential method that we used is the most important method to calculate the transition time and it can be used to determine the whole probability density. We study the condition of bistability and then discuss rare events in a multi-stable system. In our model, we find that two parameters, ;temperature; and ;persuading intensity,; influence the behavior of the system; a suitable ;persuading intensity; and low ;temperature; make the system more stable. This means that the transition rarely happens. The asymmetric phenomenon caused by ;public-opinion; is also discussed.

Analysis of TPA Pulsed-Laser-Induced Single-Event Latchup Sensitive-Area

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

Wang, Peng; Sternberg, Andrew L.; Kozub, John A.

Two-photon absorption (TPA) testing is employed to analyze the laser-induced latchup sensitive-volume (SV) of a specially designed test structure. This method takes into account the existence of an onset region in which the probability of triggering latchup transitions from zero to one as the laser pulse energy increases. This variability is attributed to pulse-to-pulse variability, uncertainty in measurement of the pulse energy, and variation in local carrier density and temperature. For each spatial position, the latchup probability associated with a given energy is calculated from multiple pulses. The latchup probability data are well-described by a Weibull distribution. The results showmore » that the area between p-n-p-n cell structures is more sensitive than the p+ and n+ source areas, and locations far from the well contacts are more sensitive than those near the contact region. The transition from low probability of latchup to high probability is more abrupt near the source contacts than it is for the surrounding areas.« less

Analysis of TPA Pulsed-Laser-Induced Single-Event Latchup Sensitive-Area

DOE PAGES

Wang, Peng; Sternberg, Andrew L.; Kozub, John A.; ...

2017-12-07

Two-photon absorption (TPA) testing is employed to analyze the laser-induced latchup sensitive-volume (SV) of a specially designed test structure. This method takes into account the existence of an onset region in which the probability of triggering latchup transitions from zero to one as the laser pulse energy increases. This variability is attributed to pulse-to-pulse variability, uncertainty in measurement of the pulse energy, and variation in local carrier density and temperature. For each spatial position, the latchup probability associated with a given energy is calculated from multiple pulses. The latchup probability data are well-described by a Weibull distribution. The results showmore » that the area between p-n-p-n cell structures is more sensitive than the p+ and n+ source areas, and locations far from the well contacts are more sensitive than those near the contact region. The transition from low probability of latchup to high probability is more abrupt near the source contacts than it is for the surrounding areas.« less

scEpath: Energy landscape-based inference of transition probabilities and cellular trajectories from single-cell transcriptomic data.

PubMed

Jin, Suoqin; MacLean, Adam L; Peng, Tao; Nie, Qing

2018-02-05

Single-cell RNA-sequencing (scRNA-seq) offers unprecedented resolution for studying cellular decision-making processes. Robust inference of cell state transition paths and probabilities is an important yet challenging step in the analysis of these data. Here we present scEpath, an algorithm that calculates energy landscapes and probabilistic directed graphs in order to reconstruct developmental trajectories. We quantify the energy landscape using "single-cell energy" and distance-based measures, and find that the combination of these enables robust inference of the transition probabilities and lineage relationships between cell states. We also identify marker genes and gene expression patterns associated with cell state transitions. Our approach produces pseudotemporal orderings that are - in combination - more robust and accurate than current methods, and offers higher resolution dynamics of the cell state transitions, leading to new insight into key transition events during differentiation and development. Moreover, scEpath is robust to variation in the size of the input gene set, and is broadly unsupervised, requiring few parameters to be set by the user. Applications of scEpath led to the identification of a cell-cell communication network implicated in early human embryo development, and novel transcription factors important for myoblast differentiation. scEpath allows us to identify common and specific temporal dynamics and transcriptional factor programs along branched lineages, as well as the transition probabilities that control cell fates. A MATLAB package of scEpath is available at https://github.com/sqjin/scEpath. qnie@uci.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2018. Published by Oxford University Press.

Excitation rate coefficients and line ratios for the optical and ultraviolet transitions in S II

NASA Technical Reports Server (NTRS)

Cai, Wei; Pradhan, Anil K.

1993-01-01

New calculations are reported for electron excitation collision strengths, rate coefficients, transition probabilities, and line ratios for the astrophysically important optical and UV lines in S II. The collision strengths are calculated in the close coupling approximation using the R-matrix method. The present calculations are more extensive than previous ones, including all transitions among the 12 lowest LS terms and the corresponding 28 fine-structure levels in the collisional-radiative model for S II. While the present rate coefficients for electron impact excitation are within 10-30 percent of the previous values for the low-lying optical transitions employed as density diagnostics of H II regions and nebulae, the excitation rates for the UV transitions 4S super 0 sub 3/2 - 4Psub 1/2,3/2,5/2 differ significantly from earlier calculations, by up to factor of 2. We describe temperature and density sensitive flux ratios for a number of UV lines. The present UV results are likely to be of interest in a more accurate interpretation of S II emission from the Io plasma torus in the magnetosphere of Jupiter, as well as other UV sources observed from the IUE, ASTRO 1, and the HST.

Vibration-translation energy transfer in anharmonic diatomic molecules. 1: A critical evaluation of the semiclassical approximation

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1974-01-01

The semiclassical approximation is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for sulfur-like iron, Fe XI

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

Abou El-Maaref, A., E-mail: aahmh@hotmail.com; Ahmad, Mahmoud; Allam, S.H.

Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s{sup 2}3p{sup 4}, 3s3p{sup 5}, 3s{sup 2}3p{sup 3}3d, 3s{sup 2}3p{sup 3}4s, 3s{sup 2}3p{sup 3}4p, and 3s{sup 2}3p{sup 3}4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term,more » and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications. -- Highlights: •Accurate atomic data of iron ions are needed for identification of solar corona. •Extensive configuration interaction wavefunctions including 123 fine-structure levels have been calculated. •The relativistic effects by means of the Breit–Pauli Hamiltonian terms are incorporated. •This incorporation adjusts the energy levels, therefore the calculated values are close to experimental values.« less

Novel Δ J = 1 Sequence in Ge 78 : Possible Evidence for Triaxiality

DOE PAGES

Forney, A. M.; Walters, W. B.; Chiara, C. J.; ...

2018-05-22

Here, a sequence of low-energy levels in 78 32Ge 46 has been identified with spins and parity of 2 +, 3 +, 4 +, 5 +, and 6 +. Decays within this band proceed strictly through ΔJ=1 transitions, unlike similar sequences in neighboring Ge and Se nuclei. Above the 2+ level, members of this sequence do not decay into the ground-state band. Moreover, the energy staggering of this sequence has the phase that would be expected for a γ-rigid structure. The energies and branching ratios of many of the levels are described well by shell-model calculations. However, the calculated reducedmore » transition probabilities for the ΔJ=2 in-band transitions imply that they should have been observed, in contradiction with the experiment. Within the calculations of Davydov, Filippov, and Rostovsky for rigid-triaxial rotors with γ=30°, there are sequences of higher-spin levels connected by strong ΔJ=1 transitions which decay in the same manner as those observed experimentally, yet are calculated at too high an excitation energy.« less

A novel ΔJ = 1 sequence in 78Ge: possible evidence for triaxiality

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

Forney, A. M.; Walters, W. B.; Chiara, C. J.

2018-02-20

A sequence of low-energy levels inmore » $$78\\atop{32}$$Ge 46 has been identi ed with spins and parity of 2 +, 3 +, 4 +, 5 +, and 6 +. Decays within this band proceed strictly through ΔJ = 1 transitions, unlike similar sequences in neighboring Ge and Se nuclei. Above the 2 + level, members of this sequence do not decay into the ground-state band. Moreover, the energy staggering of this sequence has the phase that would be expected for a γ-rigid structure. The energies and branching ratios of many of the levels are described well by shell-model calculations. However, the calculated reduced transition probabilities for the ΔJ = 2 in-band transitions imply that they should have been observed, in contradiction with the experiment. Lastly, within the calculations of Davydov, Filippov, and Rostovsky for rigid-triaxial rotors with γ = 30°, there are sequences of higher-spin levels connected by strong ΔJ = 1 transitions which decay in the same manner as those observed experimentally, yet calculated at too high an excitation energy.« less

Novel Δ J = 1 Sequence in Ge 78 : Possible Evidence for Triaxiality

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

Forney, A. M.; Walters, W. B.; Chiara, C. J.

Here, a sequence of low-energy levels in 78 32Ge 46 has been identified with spins and parity of 2 +, 3 +, 4 +, 5 +, and 6 +. Decays within this band proceed strictly through ΔJ=1 transitions, unlike similar sequences in neighboring Ge and Se nuclei. Above the 2+ level, members of this sequence do not decay into the ground-state band. Moreover, the energy staggering of this sequence has the phase that would be expected for a γ-rigid structure. The energies and branching ratios of many of the levels are described well by shell-model calculations. However, the calculated reducedmore » transition probabilities for the ΔJ=2 in-band transitions imply that they should have been observed, in contradiction with the experiment. Within the calculations of Davydov, Filippov, and Rostovsky for rigid-triaxial rotors with γ=30°, there are sequences of higher-spin levels connected by strong ΔJ=1 transitions which decay in the same manner as those observed experimentally, yet are calculated at too high an excitation energy.« less

Multiple electron processes of He and Ne by proton impact

NASA Astrophysics Data System (ADS)

Terekhin, Pavel Nikolaevich; Montenegro, Pablo; Quinto, Michele; Monti, Juan; Fojon, Omar; Rivarola, Roberto

2016-05-01

A detailed investigation of multiple electron processes (single and multiple ionization, single capture, transfer-ionization) of He and Ne is presented for proton impact at intermediate and high collision energies. Exclusive absolute cross sections for these processes have been obtained by calculation of transition probabilities in the independent electron and independent event models as a function of impact parameter in the framework of the continuum distorted wave-eikonal initial state theory. A binomial analysis is employed to calculate exclusive probabilities. The comparison with available theoretical and experimental results shows that exclusive probabilities are needed for a reliable description of the experimental data. The developed approach can be used for obtaining the input database for modeling multiple electron processes of charged particles passing through the matter.

Measurement of K to L shell vacancy transfer probabilities for the elements 46≤ Z≤55 by photoionization

NASA Astrophysics Data System (ADS)

Şimşek, Ö.; Karagöz, D.; Ertugrul, M.

2003-10-01

The K to L shell vacancy transfer probabilities for nine elements in the atomic region 46≤ Z≤55 were determined by measuring the L X-ray yields from targets excited by 5.96 and 59.5 keV photons and using the theoretical K and L shell photoionization cross-sections. The L X-rays from different targets were detected with an Ultra-LEGe detector with very thin polymer window. Present experimental results were compared with the semi empirical values tabulated by Rao et al. [Atomic vacancy distributions product by inner shellionization, Phys. Rev. A 5 (1972) 997-1002] and theoretically calculated values using radiative and radiationless transitions. The radiative transitions of these elements were observed from the relativistic Hartree-Slater model, which was proposed by Scofield [Relativistic Hartree-Slater values for K and L shell X-ray emission rates, At. Data Nucl. Data Tables 14 (1974) 121-137]. The radiationless transitions were observed from the Dirac-Hartree-Slater model, which was proposed by Chen et al. [Relativistic radiationless transition probabilities for atomic K- and L-shells, At. Data Nucl. Data Tables 24 (1979) 13-37]. To the best of our knowledge, these vacancy transfer probabilities are reported for the first time.

Time-course variation of statistics embedded in music: Corpus study on implicit learning and knowledge.

PubMed

Daikoku, Tatsuya

2018-01-01

Learning and knowledge of transitional probability in sequences like music, called statistical learning and knowledge, are considered implicit processes that occur without intention to learn and awareness of what one knows. This implicit statistical knowledge can be alternatively expressed via abstract medium such as musical melody, which suggests this knowledge is reflected in melodies written by a composer. This study investigates how statistics in music vary over a composer's lifetime. Transitional probabilities of highest-pitch sequences in Ludwig van Beethoven's Piano Sonata were calculated based on different hierarchical Markov models. Each interval pattern was ordered based on the sonata opus number. The transitional probabilities of sequential patterns that are musical universal in music gradually decreased, suggesting that time-course variations of statistics in music reflect time-course variations of a composer's statistical knowledge. This study sheds new light on novel methodologies that may be able to evaluate the time-course variation of composer's implicit knowledge using musical scores.

Studies of the chemistry of vibrationally and electronically excited species in planetary upper atmospheres

NASA Technical Reports Server (NTRS)

Fox, J. L.

1984-01-01

The vibrational distribution of O2(+) in the atmospheres of Venus and Mars was investigated to compare with analogous values in the Earth's atmosphere. The dipole moment of the Z(2) Pi sub u - X(2) Pi sub g transition of O2(+) is calculated as a function of internuclear distance. The band absorption oscillator strengths and band transition probabilities of the second negative system are derived. The vibrational distribution of O2(+) in the ionosphere of Venus is calculated for a model based on data from the Pioneer Venus neutral mass spectrometer.

Percolation

NASA Astrophysics Data System (ADS)

Dã¡Vila, Alã¡N.; Escudero, Christian; López, Jorge, , Dr.

2004-10-01

Several methods have been developed in order to study phase transitions in nuclear fragmentation. The one used in this research is Percolation. This method allows us to adjust resulting data to heavy ion collisions experiments. In systems, such as atomic nuclei or molecules, energy is put into the system. The system's particles move away from each other until their links are broken. Some particles will still be linked. The fragments' distribution is found to be a power law. We are witnessing then a critical phenomenon. In our model the particles are represented as occupied spaces in a cubical array. Each particle has a bound to each one of its 6 neighbors. Each bound can be active if the two particles are linked or inactive if they are not. When two or more particles are linked, a fragment is formed. The probability for a specific link to be broken cannot be calculated, so the probability for a bound to be active is going to be used as parameter when trying to adjust the data. For a given probability p several arrays are generated. The fragments are counted. The fragments' distribution is then adjusted to a power law. The probability that generates the better fit is going to be the critical probability that indicates a phase transition. The better fit is found by seeking the fragments' distribution that gives the minimal chi squared when compared to a power law. As additional evidence of criticality the entropy and normalized variance of the mass are also calculated for each probability.

Birth/birth-death processes and their computable transition probabilities with biological applications.

PubMed

Ho, Lam Si Tung; Xu, Jason; Crawford, Forrest W; Minin, Vladimir N; Suchard, Marc A

2018-03-01

Birth-death processes track the size of a univariate population, but many biological systems involve interaction between populations, necessitating models for two or more populations simultaneously. A lack of efficient methods for evaluating finite-time transition probabilities of bivariate processes, however, has restricted statistical inference in these models. Researchers rely on computationally expensive methods such as matrix exponentiation or Monte Carlo approximation, restricting likelihood-based inference to small systems, or indirect methods such as approximate Bayesian computation. In this paper, we introduce the birth/birth-death process, a tractable bivariate extension of the birth-death process, where rates are allowed to be nonlinear. We develop an efficient algorithm to calculate its transition probabilities using a continued fraction representation of their Laplace transforms. Next, we identify several exemplary models arising in molecular epidemiology, macro-parasite evolution, and infectious disease modeling that fall within this class, and demonstrate advantages of our proposed method over existing approaches to inference in these models. Notably, the ubiquitous stochastic susceptible-infectious-removed (SIR) model falls within this class, and we emphasize that computable transition probabilities newly enable direct inference of parameters in the SIR model. We also propose a very fast method for approximating the transition probabilities under the SIR model via a novel branching process simplification, and compare it to the continued fraction representation method with application to the 17th century plague in Eyam. Although the two methods produce similar maximum a posteriori estimates, the branching process approximation fails to capture the correlation structure in the joint posterior distribution.

Using hidden Markov models to align multiple sequences.

PubMed

Mount, David W

2009-07-01

A hidden Markov model (HMM) is a probabilistic model of a multiple sequence alignment (msa) of proteins. In the model, each column of symbols in the alignment is represented by a frequency distribution of the symbols (called a "state"), and insertions and deletions are represented by other states. One moves through the model along a particular path from state to state in a Markov chain (i.e., random choice of next move), trying to match a given sequence. The next matching symbol is chosen from each state, recording its probability (frequency) and also the probability of going to that state from a previous one (the transition probability). State and transition probabilities are multiplied to obtain a probability of the given sequence. The hidden nature of the HMM is due to the lack of information about the value of a specific state, which is instead represented by a probability distribution over all possible values. This article discusses the advantages and disadvantages of HMMs in msa and presents algorithms for calculating an HMM and the conditions for producing the best HMM.

Microstructure-Sensitive Extreme Value Probabilities for High Cycle Fatigue of Ni-Base Superalloy IN100 (Preprint)

DTIC Science & Technology

2009-03-01

transition fatigue regimes; however, microplasticity (i.e., heterogeneous plasticity at the scale of microstructure) is relevant to understanding fatigue...and Socie [57] considered the affect of microplastic 14 Microstructure-Sensitive Extreme Value Probabilities for High Cycle Fatigue of Ni-Base...considers the local stress state as affected by intergranular interactions and microplasticity . For the calculations given below, the volumes over which

Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method.

PubMed

Nangia, Shikha; Jasper, Ahren W; Miller, Thomas F; Truhlar, Donald G

2004-02-22

The most widely used algorithm for Monte Carlo sampling of electronic transitions in trajectory surface hopping (TSH) calculations is the so-called anteater algorithm, which is inefficient for sampling low-probability nonadiabatic events. We present a new sampling scheme (called the army ants algorithm) for carrying out TSH calculations that is applicable to systems with any strength of coupling. The army ants algorithm is a form of rare event sampling whose efficiency is controlled by an input parameter. By choosing a suitable value of the input parameter the army ants algorithm can be reduced to the anteater algorithm (which is efficient for strongly coupled cases), and by optimizing the parameter the army ants algorithm may be efficiently applied to systems with low-probability events. To demonstrate the efficiency of the army ants algorithm, we performed atom-diatom scattering calculations on a model system involving weakly coupled electronic states. Fully converged quantum mechanical calculations were performed, and the probabilities for nonadiabatic reaction and nonreactive deexcitation (quenching) were found to be on the order of 10(-8). For such low-probability events the anteater sampling scheme requires a large number of trajectories ( approximately 10(10)) to obtain good statistics and converged semiclassical results. In contrast by using the new army ants algorithm converged results were obtained by running 10(5) trajectories. Furthermore, the results were found to be in excellent agreement with the quantum mechanical results. Sampling errors were estimated using the bootstrap method, which is validated for use with the army ants algorithm. (c) 2004 American Institute of Physics.

Advanced ab initio relativistic calculations of transition probabilities for some O I and O III emission lines

NASA Astrophysics Data System (ADS)

Nguyen, T. V. B.; Chantler, C. T.; Lowe, J. A.; Grant, I. P.

2014-06-01

This work presents new ab initio relativistic calculations using the multiconfiguration Dirac-Hartree-Fock method of some O I and O III transition lines detected in B-type and Wolf-Rayet stars. Our results are the first able to be presented in both the length and velocity gauges, with excellent gauge convergence. Compared to previous experimental and theoretical uncertainties of up to 50 per cent, our accuracies appear to be in the range of 0.33-5.60 per cent, with gauge convergence up to 0.6 per cent. Similar impressive convergence of the calculated energies is also shown. Two sets of theoretical computations are compared with earlier tabulated measurements. Excellent agreement is obtained with one set of transitions but an interesting and consistent discrepancy exists between the current work and the prior literature, deserving of future experimental studies.

A Continuous Method for Gene Flow

PubMed Central

Palczewski, Michal; Beerli, Peter

2013-01-01

Most modern population genetics inference methods are based on the coalescence framework. Methods that allow estimating parameters of structured populations commonly insert migration events into the genealogies. For these methods the calculation of the coalescence probability density of a genealogy requires a product over all time periods between events. Data sets that contain populations with high rates of gene flow among them require an enormous number of calculations. A new method, transition probability-structured coalescence (TPSC), replaces the discrete migration events with probability statements. Because the speed of calculation is independent of the amount of gene flow, this method allows calculating the coalescence densities efficiently. The current implementation of TPSC uses an approximation simplifying the interaction among lineages. Simulations and coverage comparisons of TPSC vs. MIGRATE show that TPSC allows estimation of high migration rates more precisely, but because of the approximation the estimation of low migration rates is biased. The implementation of TPSC into programs that calculate quantities on phylogenetic tree structures is straightforward, so the TPSC approach will facilitate more general inferences in many computer programs. PMID:23666937

Theory of rotational transition in atom-diatom chemical reaction

NASA Astrophysics Data System (ADS)

Nakamura, Masato; Nakamura, Hiroki

1989-05-01

Rotational transition in atom-diatom chemical reaction is theoretically studied. A new approximate theory (which we call IOS-DW approximation) is proposed on the basis of the physical idea that rotational transition in reaction is induced by the following two different mechanisms: rotationally inelastic half collision in both initial and final arrangement channels, and coordinate transformation in the reaction zone. This theory gives a fairy compact expression for the state-to-state transition probability. Introducing the additional physically reasonable assumption that reaction (particle rearrangement) takes place in a spatially localized region, we have reduced this expression into a simpler analytical form which can explicitly give overall rotational state distribution in reaction. Numerical application was made to the H+H2 reaction and demonstrated its effectiveness for the simplicity. A further simplified most naive approximation, i.e., independent events approximation was also proposed and demonstrated to work well in the test calculation of H+H2. The overall rotational state distribution is expressed simply by a product sum of the transition probabilities for the three consecutive processes in reaction: inelastic transition in the initial half collision, transition due to particle rearrangement, and inelastic transition in the final half collision.

Effects of tour boats on dolphin activity examined with sensitivity analysis of Markov chains.

PubMed

Dans, Silvana Laura; Degrati, Mariana; Pedraza, Susana Noemí; Crespo, Enrique Alberto

2012-08-01

In Patagonia, Argentina, watching dolphins, especially dusky dolphins (Lagenorhynchus obscurus), is a new tourist activity. Feeding time decreases and time to return to feeding after feeding is abandoned and time it takes a group of dolphins to feed increase in the presence of boats. Such effects on feeding behavior may exert energetic costs on dolphins and thus reduce an individual's survival and reproductive capacity or maybe associated with shifts in distribution. We sought to predict which behavioral changes modify the activity pattern of dolphins the most. We modeled behavioral sequences of dusky dolphins with Markov chains. We calculated transition probabilities from one activity to another and arranged them in a stochastic matrix model. The proportion of time dolphins dedicated to a given activity (activity budget) and the time it took a dolphin to resume that activity after it had been abandoned (recurrence time) were calculated. We used a sensitivity analysis of Markov chains to calculate the sensitivity of the time budget and the activity-resumption time to changes in behavioral transition probabilities. Feeding-time budget was most sensitive to changes in the probability of dolphins switching from traveling to feeding behavior and of maintaining feeding behavior. Thus, an increase in these probabilities would be associated with the largest reduction in the time dedicated to feeding. A reduction in the probability of changing from traveling to feeding would also be associated with the largest increases in the time it takes dolphins to resume feeding. To approach dolphins when they are traveling would not affect behavior less because presence of the boat may keep dolphins from returning to feeding. Our results may help operators of dolphin-watching vessels minimize negative effects on dolphins. ©2012 Society for Conservation Biology.

Hyperfine induced transition probabilities from 4{f}^{14}5s5p{}^{3}{{\\rm{P}}}_{0,2}^{o} states in Sm-like ions

NASA Astrophysics Data System (ADS)

Zhou, Fuyang; Li, Jiguang; Qu, Yizhi; Wang, Jianguo

2017-11-01

The hyperfine induced 4{f}145s5p{}3{{{P}}}0,2o-4{f}145{s}2{}1{{{S}}}0 transition probabilities for highly charged Sm-like ions are calculated within the framework of the multiconfiguration Dirac-Hartree-Fock method. Electron correlation, the Breit interaction and quantum electrodynamical effects are taken into account. For ions ranging from Z = 79 to Z=94,4{f}145s5p{}3{{{P}}}0o is the first excited state, and the hyperfine induced transition (HIT) is a dominant decay channel. For the 4{f}145s5p{}3{{{P}}}2o state, the HIT rates of Sm-like ions with Z=82-94 are reported as well as the magnetic dipole (M1) {}3{{{P}}}2o-{}3{{{P}}}1o, the electric quadrupole (E2) {}3{{{P}}}2o-{}3{{{P}}}0,1o, and the magnetic quadrupole (M2) {}3{{{P}}}2o-{}1{{{S}}}0 transition probabilities. It is found that M1 transition from the 4{f}145s5p{}3{{{P}}}2o state is the most important decay channel in this range on Z≥slant 82.

Solving inverse problem for Markov chain model of customer lifetime value using flower pollination algorithm

NASA Astrophysics Data System (ADS)

Al-Ma'shumah, Fathimah; Permana, Dony; Sidarto, Kuntjoro Adji

2015-12-01

Customer Lifetime Value is an important and useful concept in marketing. One of its benefits is to help a company for budgeting marketing expenditure for customer acquisition and customer retention. Many mathematical models have been introduced to calculate CLV considering the customer retention/migration classification scheme. A fairly new class of these models which will be described in this paper uses Markov Chain Models (MCM). This class of models has the major advantage for its flexibility to be modified to several different cases/classification schemes. In this model, the probabilities of customer retention and acquisition play an important role. From Pfeifer and Carraway, 2000, the final formula of CLV obtained from MCM usually contains nonlinear form of the transition probability matrix. This nonlinearity makes the inverse problem of CLV difficult to solve. This paper aims to solve this inverse problem, yielding the approximate transition probabilities for the customers, by applying metaheuristic optimization algorithm developed by Yang, 2013, Flower Pollination Algorithm. The major interpretation of obtaining the transition probabilities are to set goals for marketing teams in keeping the relative frequencies of customer acquisition and customer retention.

Improved log(gf ) Values of Selected Lines in Mn I and Mn II for Abundance Determinations in FGK Dwarfs and Giants

NASA Astrophysics Data System (ADS)

Den Hartog, E. A.; Lawler, J. E.; Sobeck, J. S.; Sneden, C.; Cowan, J. J.

2011-06-01

The goal of the present work is to produce transition probabilities with very low uncertainties for a selected set of multiplets of Mn I and Mn II. Multiplets are chosen based upon their suitability for stellar abundance analysis. We report on new radiative lifetime measurements for 22 levels of Mn I from the e 8 D, z 6 P, z 6 D, z 4 F, e 8 S, and e 6 S terms and six levels of Mn II from the z 5 P and z 7 P terms using time-resolved laser-induced fluorescence on a slow atom/ion beam. New branching fractions for transitions from these levels, measured using a Fourier-transform spectrometer, are reported. When combined, these measurements yield transition probabilities for 47 transitions of Mn I and 15 transitions of Mn II. Comparisons are made to data from the literature and to Russell-Saunders (LS) theory. In keeping with the goal of producing a set of transition probabilities with the highest possible accuracy and precision, we recommend a weighted mean result incorporating our measurements on Mn I and II as well as independent measurements or calculations that we view as reliable and of a quality similar to ours. In a forthcoming paper, these Mn I/II transition probability data will be utilized to derive the Mn abundance in stars with spectra from both space-based and ground-based facilities over a 4000 Å wavelength range. With the employment of a local thermodynamic equilibrium line transfer code, the Mn I/II ionization balance will be determined for stars of different evolutionary states.

Multiple transitions in sick leave, disability benefits, and return to work. - A 4-year follow-up of patients participating in a work-related rehabilitation program.

PubMed

Oyeflaten, Irene; Lie, Stein Atle; Ihlebæk, Camilla M; Eriksen, Hege R

2012-09-06

Return to work (RTW) after long-term sick leave can be a long-lasting process where the individual may shift between work and receiving different social security benefits, as well as between part-time and full-time work. This is a challenge in the assessment of RTW outcomes after rehabilitation interventions. The aim of this study was to analyse the probability for RTW, and the probabilities of transitions between different benefits during a 4-year follow-up, after participating in a work-related rehabilitation program. The sample consisted of 584 patients (66% females), mean age 44 years (sd = 9.3). Mean duration on various types of sick leave benefits at entry to the rehabilitation program was 9.3 months (sd = 3.4)]. The patients had mental (47%), musculoskeletal (46%), or other diagnoses (7%). Official national register data over a 4-year follow-up period was analysed. Extended statistical tools for multistate models were used to calculate transition probabilities between the following eight states; working, partial sick leave, full-time sick leave, medical rehabilitation, vocational rehabilitation, and disability pension; (partial, permanent and time-limited). During the follow-up there was an increased probability for working, a decreased probability for being on sick leave, and an increased probability for being on disability pension. The probability of RTW was not related to the work and benefit status at departure from the rehabilitation clinic. The patients had an average of 3.7 (range 0-18) transitions between work and the different benefits. The process of RTW or of receiving disability pension was complex, and may take several years, with multiple transitions between work and different benefits. Access to reliable register data and the use of a multistate RTW model, makes it possible to describe the developmental nature and the different levels of the recovery and disability process.

Multiple transitions in sick leave, disability benefits, and return to work. - A 4-year follow-up of patients participating in a work-related rehabilitation program

PubMed Central

2012-01-01

Background Return to work (RTW) after long-term sick leave can be a long-lasting process where the individual may shift between work and receiving different social security benefits, as well as between part-time and full-time work. This is a challenge in the assessment of RTW outcomes after rehabilitation interventions. The aim of this study was to analyse the probability for RTW, and the probabilities of transitions between different benefits during a 4-year follow-up, after participating in a work-related rehabilitation program. Methods The sample consisted of 584 patients (66% females), mean age 44 years (sd = 9.3). Mean duration on various types of sick leave benefits at entry to the rehabilitation program was 9.3 months (sd = 3.4)]. The patients had mental (47%), musculoskeletal (46%), or other diagnoses (7%). Official national register data over a 4-year follow-up period was analysed. Extended statistical tools for multistate models were used to calculate transition probabilities between the following eight states; working, partial sick leave, full-time sick leave, medical rehabilitation, vocational rehabilitation, and disability pension; (partial, permanent and time-limited). Results During the follow-up there was an increased probability for working, a decreased probability for being on sick leave, and an increased probability for being on disability pension. The probability of RTW was not related to the work and benefit status at departure from the rehabilitation clinic. The patients had an average of 3.7 (range 0–18) transitions between work and the different benefits. Conclusions The process of RTW or of receiving disability pension was complex, and may take several years, with multiple transitions between work and different benefits. Access to reliable register data and the use of a multistate RTW model, makes it possible to describe the developmental nature and the different levels of the recovery and disability process. PMID:22954254

Molecular collision processes in the presence of picosecond laser pulses

NASA Technical Reports Server (NTRS)

Lee, H. W.; George, T. F.

1979-01-01

Radiative transitions in molecular collision processes taking place in the presence of picosecond pulses are studied within a semiclassical formalism. An expression for adiabatic potential surfaces in the electronic-field representation is obtained, which directly leads to the evaluation of transition probabilities. Calculations with a Landau-Zener-type model indicate that picosecond pulses can be much more effective in inducing transitions than a single long pulse of the same intensity and the same total energy, if the intensity is sufficiently high that the perturbation treatment is not valid.

Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

NASA Astrophysics Data System (ADS)

Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man

2014-07-01

Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

Accurate wavelengths for X-ray spectroscopy and the NIST hydrogen-like ion database

NASA Astrophysics Data System (ADS)

Kotochigova, S. A.; Kirby, K. P.; Brickhouse, N. S.; Mohr, P. J.; Tupitsyn, I. I.

2005-06-01

We have developed an ab initio multi-configuration Dirac-Fock-Sturm method for the precise calculation of X-ray emission spectra, including energies, transition wavelengths and transition probabilities. The calculations are based on non-orthogonal basis sets, generated by solving the Dirac-Fock and Dirac-Fock-Sturm equations. Inclusion of Sturm functions into the basis set provides an efficient description of correlation effects in highly charged ions and fast convergence of the configuration interaction procedure. A second part of our study is devoted to developing a theoretical procedure and creating an interactive database to generate energies and transition frequencies for hydrogen-like ions. This procedure is highly accurate and based on current knowledge of the relevant theory, which includes relativistic, quantum electrodynamic, recoil, and nuclear size effects.

Optoelectronics of inverted type-I CdS/CdSe core/crown quantum ring

NASA Astrophysics Data System (ADS)

Bose, Sumanta; Fan, Weijun; Zhang, Dao Hua

2017-10-01

Inverted type-I heterostructure core/crown quantum rings (QRs) are quantum-efficient luminophores, whose spectral characteristics are highly tunable. Here, we study the optoelectronic properties of type-I core/crown CdS/CdSe QRs in the zincblende phase—over contrasting lateral size and crown width. For this, we inspect their strain profiles, transition energies, transition matrix elements, spatial charge densities, electronic bandstructures, band-mixing probabilities, optical gain spectra, maximum optical gains, and differential optical gains. Our framework uses an effective-mass envelope function theory based on the 8-band k ṡ p method employing the valence force field model for calculating the atomic strain distributions. The gain calculations are based on the density-matrix equation and take into consideration the excitonic effects with intraband scattering. Variations in the QR lateral size and relative widths of core and crown (ergo the composition) affect their energy levels, band-mixing probabilities, optical transition matrix elements, emission wavelengths/intensities, etc. The optical gain of QRs is also strongly dimension and composition dependent with further dependency on the injection carrier density causing the band-filling effect. They also affect the maximum and differential gain at varying dimensions and compositions.

A Simple Approach to the Landau-Zener Formula

ERIC Educational Resources Information Center

Vutha, Amar C.

2010-01-01

The Landau-Zener formula provides the probability of non-adiabatic transitions occurring when two energy levels are swept through an avoided crossing. The formula is derived here in a simple calculation that emphasizes the physics responsible for non-adiabatic population transfer. (Contains 2 figures.)

Quantum transition and decoherence of levitating polaron on helium film thickness under an electromagnetic field

NASA Astrophysics Data System (ADS)

Kenfack, S. C.; Fotue, A. J.; Fobasso, M. F. C.; Djomou, J.-R. D.; Tiotsop, M.; Ngouana, K. S. L.; Fai, L. C.

2017-12-01

We have studied the transition probability and decoherence time of levitating polaron in helium film thickness. By using a variational method of Pekar type, the ground and the first excited states of polaron are calculated above the liquid-helium film placed on the polar substrate. It is shown that the polaron transits from the ground to the excited state in the presence of an external electromagnetic field in the plane. We have seen that, in the helium film, the effects of the magnetic and electric fields on the polaron are opposite. It is also shown that the energy, transition probability and decoherence time of the polaron depend sensitively on the helium film thickness. We found that decoherence time decreases as a function of increasing electron-phonon coupling strength and the helium film thickness. It is seen that the film thickness can be considered as a new confinement in our system and can be adjusted in order to reduce decoherence.

Probability of the Physical Association of 104 Blended Companions to Kepler Objects of Interest Using Visible and Near-infrared Adaptive Optics Photometry

NASA Astrophysics Data System (ADS)

Atkinson, Dani; Baranec, Christoph; Ziegler, Carl; Law, Nicholas; Riddle, Reed; Morton, Tim

2017-01-01

We determine probabilities of physical association for stars in blended Kepler Objects of Interest (KOIs), and find that 14.5{ % }-3.4 % +3.8 % of companions within ˜4″ are consistent with being physically unassociated with their primary. This produces a better understanding of potential false positives in the Kepler catalog and will guide models of planet formation in binary systems. Physical association is determined through two methods of calculating multi-band photometric parallax using visible and near-infrared adaptive optics observations of 84 KOI systems with 104 contaminating companions within ˜4″. We find no evidence that KOI companions with separations of less than 1″ are more likely to be physically associated than KOI companions generally. We also reinterpret transit depths for 94 planet candidates, and calculate that 2.6% ± 0.4% of transits have R> 15{R}\\oplus , which is consistent with prior modeling work.

Theoretical calculations of rotationally inelastic collisions of He with NaK(A (1)Σ(+)): Transfer of population, orientation, and alignment.

PubMed

Malenda, R F; Price, T J; Stevens, J; Uppalapati, S L; Fragale, A; Weiser, P M; Kuczala, A; Talbi, D; Hickman, A P

2015-06-14

We have performed extensive calculations to investigate thermal energy, rotationally inelastic collisions of NaK (A(1)Σ(+)) with He. We determined a potential energy surface using a multi-reference configuration interaction wave function as implemented by the GAMESS electronic structure code, and we have performed coupled channel scattering calculations using the Arthurs and Dalgarno formalism. We also calculate the Grawert coefficients B(λ)(j, j') for each j → j' transition. These coefficients are used to determine the probability that orientation and alignment are preserved in collisions taking place in a cell environment. The calculations include all rotational levels with j or j' between 0 and 50, and total (translational and rotational) energies in the range 0.0002-0.0025 a.u. (∼44-550 cm(-1)). The calculated cross sections for transitions with even values of Δj tend to be larger than those for transitions with odd Δj, in agreement with the recent experiments of Wolfe et al. (J. Chem. Phys. 134, 174301 (2011)). The calculations of the energy dependence of the cross sections and the calculations of the fraction of orientation and alignment preserved in collisions also exhibit distinctly different behaviors for odd and even values of Δj. The calculations also indicate that the average fraction of orientation or alignment preserved in a transition becomes larger as j increases. We interpret this behavior using the semiclassical model of Derouard, which also leads to a simple way of visualizing the distribution of the angles between the initial and final angular momentum vectors j and j'. Finally, we compare the exact quantum results for j → j' transitions with results based on the simpler, energy sudden approximation. That approximation is shown to be quite accurate.

Precise Masses in the WASP-47 System

NASA Astrophysics Data System (ADS)

Vanderburg, Andrew; Becker, Juliette C.; Buchhave, Lars A.; Mortier, Annelies; Lopez, Eric; Malavolta, Luca; Haywood, Raphaëlle D.; Latham, David W.; Charbonneau, David; López-Morales, Mercedes; Adams, Fred C.; Bonomo, Aldo Stefano; Bouchy, François; Collier Cameron, Andrew; Cosentino, Rosario; Di Fabrizio, Luca; Dumusque, Xavier; Fiorenzano, Aldo; Harutyunyan, Avet; Johnson, John Asher; Lorenzi, Vania; Lovis, Christophe; Mayor, Michel; Micela, Giusi; Molinari, Emilio; Pedani, Marco; Pepe, Francesco; Piotto, Giampaolo; Phillips, David; Rice, Ken; Sasselov, Dimitar; Ségransan, Damien; Sozzetti, Alessandro; Udry, Stéphane; Watson, Chris

2017-12-01

We present precise radial velocity observations of WASP-47, a star known to host a hot Jupiter, a distant Jovian companion, and, uniquely, two additional transiting planets in short-period orbits: a super-Earth in a ≈19 hr orbit, and a Neptune in a ≈9 day orbit. We analyze our observations from the HARPS-N spectrograph along with previously published data to measure the most precise planet masses yet for this system. When combined with new stellar parameters and reanalyzed transit photometry, our mass measurements place strong constraints on the compositions of the two small planets. We find that, unlike most other ultra-short-period planets, the inner planet, WASP-47 e, has a mass (6.83 ± 0.66 {M}\\oplus ) and a radius (1.810 ± 0.027 {R}\\oplus ) that are inconsistent with an Earth-like composition. Instead, WASP-47 e likely has a volatile-rich envelope surrounding an Earth-like core and mantle. We also perform a dynamical analysis to constrain the orbital inclination of WASP-47 c, the outer Jovian planet. This planet likely orbits close to the plane of the inner three planets, suggesting a quiet dynamical history for the system. Our dynamical constraints also imply that WASP-47 c is much more likely to transit than a geometric calculation would suggest. We calculate a transit probability for WASP-47 c of about 10%, more than an order of magnitude larger than the geometric transit probability of 0.6%.

Role of the site of synaptic competition and the balance of learning forces for Hebbian encoding of probabilistic Markov sequences

PubMed Central

Bouchard, Kristofer E.; Ganguli, Surya; Brainard, Michael S.

2015-01-01

The majority of distinct sensory and motor events occur as temporally ordered sequences with rich probabilistic structure. Sequences can be characterized by the probability of transitioning from the current state to upcoming states (forward probability), as well as the probability of having transitioned to the current state from previous states (backward probability). Despite the prevalence of probabilistic sequencing of both sensory and motor events, the Hebbian mechanisms that mold synapses to reflect the statistics of experienced probabilistic sequences are not well understood. Here, we show through analytic calculations and numerical simulations that Hebbian plasticity (correlation, covariance, and STDP) with pre-synaptic competition can develop synaptic weights equal to the conditional forward transition probabilities present in the input sequence. In contrast, post-synaptic competition can develop synaptic weights proportional to the conditional backward probabilities of the same input sequence. We demonstrate that to stably reflect the conditional probability of a neuron's inputs and outputs, local Hebbian plasticity requires balance between competitive learning forces that promote synaptic differentiation and homogenizing learning forces that promote synaptic stabilization. The balance between these forces dictates a prior over the distribution of learned synaptic weights, strongly influencing both the rate at which structure emerges and the entropy of the final distribution of synaptic weights. Together, these results demonstrate a simple correspondence between the biophysical organization of neurons, the site of synaptic competition, and the temporal flow of information encoded in synaptic weights by Hebbian plasticity while highlighting the utility of balancing learning forces to accurately encode probability distributions, and prior expectations over such probability distributions. PMID:26257637

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

Gaidos, Eric, E-mail: gaidos@hawaii.edu

A key goal of the Kepler mission is the discovery of Earth-size transiting planets in ''habitable zones'' where stellar irradiance maintains a temperate climate on an Earth-like planet. Robust estimates of planet radius and irradiance require accurate stellar parameters, but most Kepler systems are faint, making spectroscopy difficult and prioritization of targets desirable. The parameters of 2035 host stars were estimated by Bayesian analysis and the probabilities p{sub HZ} that 2738 candidate or confirmed planets orbit in the habitable zone were calculated. Dartmouth Stellar Evolution Program models were compared to photometry from the Kepler Input Catalog, priors for stellar mass,more » age, metallicity and distance, and planet transit duration. The analysis yielded probability density functions for calculating confidence intervals of planet radius and stellar irradiance, as well as p{sub HZ}. Sixty-two planets have p{sub HZ} > 0.5 and a most probable stellar irradiance within habitable zone limits. Fourteen of these have radii less than twice the Earth; the objects most resembling Earth in terms of radius and irradiance are KOIs 2626.01 and 3010.01, which orbit late K/M-type dwarf stars. The fraction of Kepler dwarf stars with Earth-size planets in the habitable zone ({eta}{sub Circled-Plus }) is 0.46, with a 95% confidence interval of 0.31-0.64. Parallaxes from the Gaia mission will reduce uncertainties by more than a factor of five and permit definitive assignments of transiting planets to the habitable zones of Kepler stars.« less

Prediction of deviations from the Rutherford formula for low-energy Coulomb scattering of wavepackets

NASA Astrophysics Data System (ADS)

Hoffmann, Scott E.

2017-11-01

We calculate the nonrelativistic scattering of a wavepacket from a Coulomb potential and find deviations from the Rutherford formula in all cases. These generally occur only at low scattering angles, where they would be obscured by the part of the incident beam that emerges essentially unscattered. For a model experiment, the scattering of helium nuclei from a thin gold foil, we find the deviation region is magnified for low incident energies (in the keV range), so that a large shadow zone of low probability around the forward direction is expected to be measurable. From a theoretical perspective, the use of wavepackets makes partial wave analysis applicable to this infinite-range potential. It allows us to calculate the everywhere finite probability for a wavepacket to wavepacket transition and to relate this to the differential cross section. Time delays and advancements in the detection probabilities can be calculated. We investigate the optical theorem as applied to this special case.

The Probability of Muon Sticking and X-Ray Yields in the Muon Catalyzed Fusion Cycle in a Deuterium and Tritium Mixture

NASA Astrophysics Data System (ADS)

Pahlavani, M. R.; Motevalli, S. M.

2008-03-01

The muon catalyzed fusion cycle in mixtures of deuterium and tritium is of particular interest due to the observation of high fusion yields. In the D-T mixture, the most serious limitation to the efficiency of the fusion chain is the probability of muon sticking to the alpha -particle produced in the nuclear reaction. An accurate kinetic treatment has been applied to the muonic helium atoms formed by a muon sticking to the alpha -particles. In this work accurate rates for collisions of alpha mu + ions with hydrogen atoms have been used for calculation of muon stripping probability and the intensities of X-ray transitions by solving a set of coupled differential equations numerically. Our calculated results are in good agreement with experimental data available in literature.

Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction on a neural network PES

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

Welsch, Ralph, E-mail: rwelsch@uni-bielefeld.de; Manthe, Uwe, E-mail: uwe.manthe@uni-bielefeld.de

2015-02-14

Initial state-selected reaction probabilities of the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction are calculated in full and reduced dimensionality on a recent neural network potential [X. Xu, J. Chen, and D. H. Zhang, Chin. J. Chem. Phys. 27, 373 (2014)]. The quantum dynamics calculation employs the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and rigorously studies the reaction for vanishing total angular momentum (J = 0). The calculations investigate the accuracy of the neutral network potential and study the effect resulting from a reduced-dimensional treatment. Very good agreement is found betweenmore » the present results obtained on the neural network potential and previous results obtained on a Shepard interpolated potential energy surface. The reduced-dimensional calculations only consider motion in eight degrees of freedom and retain the C{sub 3v} symmetry of the methyl fragment. Considering reaction starting from the vibrational ground state of methane, the reaction probabilities calculated in reduced dimensionality are moderately shifted in energy compared to the full-dimensional ones but otherwise agree rather well. Similar agreement is also found if reaction probabilities averaged over similar types of vibrational excitation of the methane reactant are considered. In contrast, significant differences between reduced and full-dimensional results are found for reaction probabilities starting specifically from symmetric stretching, asymmetric (f{sub 2}-symmetric) stretching, or e-symmetric bending excited states of methane.« less

Molecular spectroscopy and collisional excitation. [in astrophysics

NASA Technical Reports Server (NTRS)

Green, S.

1975-01-01

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

X-ray natural widths, level widths and Coster-Kronig transition probabilities

NASA Astrophysics Data System (ADS)

Papp, T.; Campbell, J. L.; Varga, D.

1997-01-01

A critical review is given for the K-N7 atomic level widths. The experimental level widths were collected from x-ray photoelectron spectroscopy (XPS), x-ray emission spectroscopy (XES), x-ray spectra fluoresced by synchrotron radiation, and photoelectrons from x-ray absorption (PAX). There are only limited atomic number ranges for a few atomic levels where data are available from more than one source. Generally the experimental level widths have large scatter compared to the reported error bars. The experimental data are compared with the recent tabulation of Perkins et al. and of Ohno et al. Ohno et al. performed a many body approach calculation for limited atomic number ranges and have obtained reasonable agreement with the experimental data. Perkins et al. presented a tabulation covering the K-Q1 shells of all atoms, based on extensions of the Scofield calculations for radiative rates and extensions of the Chen calculations for non-radiative rates. The experimental data are in disagreement with this tabulation, in excess of a factor of two in some cases. A short introduction to the experimental Coster-Kronig transition probabilities is presented. It is our opinion that the different experimental approaches result in systematically different experimental data.

Radiative, nonradiative, and mixed-decay transitions of rare-earth ions in dielectric media

NASA Astrophysics Data System (ADS)

Burshtein, Zeev

2010-09-01

We present and discuss in a comprehensive, deductive, and simplified manner, issues of nonradiative transitions involvement in fluorescence of ions embedded in dielectric solid matrices. The semiclassical approach is favored over a full quantum description, and empiric quantities are introduced from the start. One issue is nonradiative single-phonon transitions when the energy gap between the adjacent electronic ion states is smaller than the cutoff matrix phonon energy. Another issue is transitions in a complex energy scheme, where some visible and near-visible transitions are radiative and others are nonradiative. A refined Füchtbauer-Ladenburg recipe for calculation of the stimulated emission spectrum on the basis of measurable absorption and fluorescence emission spectra is worked out. The last issue is multiphonon nonradiative transitions occurring when the energy gap between adjacent electronic ion states is larger than the cutoff matrix phonon energy. Transition probabilities were calculated on the basis of anharmonicity of the effective potential supporting the internal atomic basis vibrations. An expression in a closed form is obtained, similar to the empiric ``energy gap'' law, however, with parameters related to specific host material properties and the actual transition in the ion. Comparison to existing experimental evidence is presented and discussed in detail.

Demons and superconductivity

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

Ihm, J.; Cohen, M.L.; Tuan, S.F.

1981-04-01

Model calculations are used to explore the role of demons (acoustic plasmons involving light and heavy mass carriers) in superconductivity. Heavy d electrons and light s and p electrons in a transition metal are used for discussion, but the calculation presented is more general, and the results can be applied to other systems. The analysis is based on the dielectric-function approach and the Bardeen-Cooper-Schrieffer theory. The dielectric function includes intraband and interband s-d scattering, and a tight-binding model is used to examine the role of s-d hybridization. The demon contribution generally reduces the Coulomb interaction between the electrons. Under suitablemore » conditions, the model calculations indicate that the electron-electron interaction via demons can be attractive, but the results also suggest that this mechanism is probably not dominant in transition metals and transition-metal compounds. An attractive interband contribution is found, and it is proposed that this effect may lead to pairing in suitable systems.« less

Calculations of the Low-Lying Structures in the Even-Even Nd/Sm/Gd/Dy Isotopes

NASA Astrophysics Data System (ADS)

Lee, Su Youn; Lee, J. H.; Lee, Young Jun

2018-05-01

The nuclear structure of deformed nuclei has been studied using the interacting boson model (IBM). In this study, energy levels and E2 transition probabilities were determined for even nuclei in the Nd/Sm/Gd/Dy chains which have a transition characteristic between the rotational, SU(3) and vibrational, U(5) limits. The structure of the nuclei exhibits a slight breaking of the SU(3) symmetry in the direction of U(5), and therefore, we add the d-boson number operator n d , which is the main term of the U(5) symmetric Hamiltonian, to the SU(3) Hamiltonian of the IBM. The calculated results for low-lying energy levels and E2 transition rates in Nd/Sm/Gd/Dy isotopes are in reasonably good agreement with known experimental results.

CS and IOS approximations for fine structure transitions in Na(/sup 2/P)--He(/sup 1/S) collisions

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

Fitz, D.E.; Kouri, D.J.

1980-11-15

The l-average CS and IOS approximations are extended to treat fine structure transitions in /sup 2/P atom--/sup 1/S atom scattering. Calculations of degeneracy averaged probabilities and differential cross sections for Na(/sup 2/P)+He(/sup 1/S) collisions in the CS and IOS methods agree well with the CC results. The present nonunitarized form of the CS approximation fails to properly predict all of the jm..-->..j'm' sections and in particular leads to a selection rule forbidding jm..-->..j--m transitions for j=half-odd integer values.

The effect of the electron–phonon interaction on reverse currents of GaAs-based p–n junctions

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

Zhukov, A. V., E-mail: ZhukovAndreyV@mail.ru

An algorithm for calculating the parameters of the electron–phonon interaction of the EL2 trap has been developed and implemented based on the example of GaAs. Using the obtained parameters, the field dependences of the probabilities of nonradiative transitions from the trap and reverse currents of the GaAs p–n junctions are calculated, which are in good agreement with the experimental data.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

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

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3 d {sup 4}, 3 d {sup 3} ns ( n  = 4, 5, 6), 3 d {sup 3} np , and 3 d {sup 3} nd ( n  = 4, 5), 3 d {sup 3}4 f , 3 d {sup 2}4 s {sup 2}, and 3 d {sup 2}4 s 4 p . Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factorsmore » and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm{sup −1}, corresponding to 14.634(7) eV. This is 130 cm{sup −1} higher than the previously recommended value from Iglesias et al.« less

Convergence of Transition Probability Matrix in CLVMarkov Models

NASA Astrophysics Data System (ADS)

Permana, D.; Pasaribu, U. S.; Indratno, S. W.; Suprayogi, S.

2018-04-01

A transition probability matrix is an arrangement of transition probability from one states to another in a Markov chain model (MCM). One of interesting study on the MCM is its behavior for a long time in the future. The behavior is derived from one property of transition probabilty matrix for n steps. This term is called the convergence of the n-step transition matrix for n move to infinity. Mathematically, the convergence of the transition probability matrix is finding the limit of the transition matrix which is powered by n where n moves to infinity. The convergence form of the transition probability matrix is very interesting as it will bring the matrix to its stationary form. This form is useful for predicting the probability of transitions between states in the future. The method usually used to find the convergence of transition probability matrix is through the process of limiting the distribution. In this paper, the convergence of the transition probability matrix is searched using a simple concept of linear algebra that is by diagonalizing the matrix.This method has a higher level of complexity because it has to perform the process of diagonalization in its matrix. But this way has the advantage of obtaining a common form of power n of the transition probability matrix. This form is useful to see transition matrix before stationary. For example cases are taken from CLV model using MCM called Model of CLV-Markov. There are several models taken by its transition probability matrix to find its convergence form. The result is that the convergence of the matrix of transition probability through diagonalization has similarity with convergence with commonly used distribution of probability limiting method.

Quantum transition probabilities during a perturbing pulse: Differences between the nonadiabatic results and Fermi's golden rule forms

NASA Astrophysics Data System (ADS)

Mandal, Anirban; Hunt, Katharine L. C.

2018-05-01

For a perturbed quantum system initially in the ground state, the coefficient ck(t) of excited state k in the time-dependent wave function separates into adiabatic and nonadiabatic terms. The adiabatic term ak(t) accounts for the adjustment of the original ground state to form the new ground state of the instantaneous Hamiltonian H(t), by incorporating excited states of the unperturbed Hamiltonian H0 without transitions; ak(t) follows the adiabatic theorem of Born and Fock. The nonadiabatic term bk(t) describes excitation into another quantum state k; bk(t) is obtained as an integral containing the time derivative of the perturbation. The true transition probability is given by |bk(t)|2, as first stated by Landau and Lifshitz. In this work, we contrast |bk(t)|2 and |ck(t)|2. The latter is the norm-square of the entire excited-state coefficient which is used for the transition probability within Fermi's golden rule. Calculations are performed for a perturbing pulse consisting of a cosine or sine wave in a Gaussian envelope. When the transition frequency ωk0 is on resonance with the frequency ω of the cosine wave, |bk(t)|2 and |ck(t)|2 rise almost monotonically to the same final value; the two are intertwined, but they are out of phase with each other. Off resonance (when ωk0 ≠ ω), |bk(t)|2 and |ck(t)|2 differ significantly during the pulse. They oscillate out of phase and reach different maxima but then fall off to equal final values after the pulse has ended, when ak(t) ≡ 0. If ωk0 < ω, |bk(t)|2 generally exceeds |ck(t)|2, while the opposite is true when ωk0 > ω. While the transition probability is rising, the midpoints between successive maxima and minima fit Gaussian functions of the form a exp[-b(t - d)2]. To our knowledge, this is the first analysis of nonadiabatic transition probabilities during a perturbing pulse.

Quantum dynamics study of H+NH3-->H2+NH2 reaction.

PubMed

Zhang, Xu Qiang; Cui, Qian; Zhang, John Z H; Han, Ke Li

2007-06-21

We report in this paper a quantum dynamics study for the reaction H+NH3-->NH2+H2 on the potential energy surface of Corchado and Espinosa-Garcia [J. Chem. Phys. 106, 4013 (1997)]. The quantum dynamics calculation employs the semirigid vibrating rotor target model [J. Z. H. Zhang, J. Chem. Phys. 111, 3929 (1999)] and time-dependent wave packet method to propagate the wave function. Initial state-specific reaction probabilities are obtained, and an energy correction scheme is employed to account for zero point energy changes for the neglected degrees of freedom in the dynamics treatment. Tunneling effect is observed in the energy dependency of reaction probability, similar to those found in H+CH4 reaction. The influence of rovibrational excitation on reaction probability and stereodynamical effect are investigated. Reaction rate constants from the initial ground state are calculated and are compared to those from the transition state theory and experimental measurement.

Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 → H2 + CD3

NASA Astrophysics Data System (ADS)

Ellerbrock, Roman; Manthe, Uwe

2017-12-01

Quantum state-resolved reaction probabilities for the H + CHD3 → H2 + CD3 reaction are calculated by accurate full-dimensional quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree approach and the quantum transition state concept. Reaction probabilities of various ro-vibrational states of the CHD3 reactant are investigated for vanishing total angular momentum. While the reactivity of the different vibrational states of CHD3 mostly follows intuitive patterns, an unusually large reaction probability is found for CHD3 molecules triply excited in the CD3 umbrella-bending vibration. This surprising reactivity can be explained by a Fermi resonance-type mixing of the single CH-stretch excited and the triple CD3 umbrella-bend excited vibrational states of CHD3. These findings show that resonant energy transfer can significantly affect the mode-selective chemistry of CHD3 and result in counter-intuitive reactivity patterns.

Prediction of transition from ultra-high risk to first-episode psychosis using a probabilistic model combining history, clinical assessment and fatty-acid biomarkers.

PubMed

Clark, S R; Baune, B T; Schubert, K O; Lavoie, S; Smesny, S; Rice, S M; Schäfer, M R; Benninger, F; Feucht, M; Klier, C M; McGorry, P D; Amminger, G P

2016-09-20

Current criteria identifying patients with ultra-high risk of psychosis (UHR) have low specificity, and less than one-third of UHR cases experience transition to psychosis within 3 years of initial assessment. We explored whether a Bayesian probabilistic multimodal model, combining baseline historical and clinical risk factors with biomarkers (oxidative stress, cell membrane fatty acids, resting quantitative electroencephalography (qEEG)), could improve this specificity. We analyzed data of a UHR cohort (n=40) with a 1-year transition rate of 28%. Positive and negative likelihood ratios were calculated for predictor variables with statistically significant receiver operating characteristic curves (ROCs), which excluded oxidative stress markers and qEEG parameters as significant predictors of transition. We clustered significant variables into historical (history of drug use), clinical (Positive and Negative Symptoms Scale positive, negative and general scores and Global Assessment of Function) and biomarker (total omega-3, nervonic acid) groups, and calculated the post-test probability of transition for each group and for group combinations using the odds ratio form of Bayes' rule. Combination of the three variable groups vastly improved the specificity of prediction (area under ROC=0.919, sensitivity=72.73%, specificity=96.43%). In this sample, our model identified over 70% of UHR patients who transitioned within 1 year, compared with 28% identified by standard UHR criteria. The model classified 77% of cases as very high or low risk (P>0.9, <0.1) based on history and clinical assessment, suggesting that a staged approach could be most efficient, reserving fatty-acid markers for 23% of cases remaining at intermediate probability following bedside interview.

New method for calculations of nanostructure kinetic stability at high temperature

NASA Astrophysics Data System (ADS)

Fedorov, A. S.; Kuzubov, A. A.; Visotin, M. A.; Tomilin, F. N.

2017-10-01

A new universal method is developed for determination of nanostructure kinetic stability (KS) at high temperatures, when nanostructures can be destroyed by chemical bonds breaking due to atom thermal vibrations. The method is based on calculation of probability for any bond in the structure to stretch more than a limit value Lmax, when the bond breaks. Assuming the number of vibrations is very large and all of them are independent, using the central limit theorem, an expression for the probability of a given bond elongation up to Lmax is derived in order to determine the KS. It is shown that this expression leads to the effective Arrhenius formula, but unlike the standard transition state theory it allows one to find the contributions of different vibrations to a chemical bond cleavage. To determine the KS, only calculation of frequencies and eigenvectors of vibrational modes in the groundstate of the nanostructure is needed, while the transition states need not be found. The suggested method was tested on calculating KS of bonds in some alkanes, octene isomers and narrow graphene nanoribbons of different types and widths at the temperature T=1200 K. The probability of breaking of the C-C bond in the center of these hydrocarbons is found to be significantly higher than at the ends of the molecules. It is also shown that the KS of the octene isomers decreases when the double C˭C bond is moved to the end of the molecule, which agrees well with the experimental data. The KS of the narrowest graphene nanoribbons of different types varies by 1-2 orders of magnitude depending on the width and structure, while all of them are by several orders of magnitude less stable at high temperature than the hydrocarbons and benzene.

Transition path time distributions

NASA Astrophysics Data System (ADS)

Laleman, M.; Carlon, E.; Orland, H.

2017-12-01

Biomolecular folding, at least in simple systems, can be described as a two state transition in a free energy landscape with two deep wells separated by a high barrier. Transition paths are the short part of the trajectories that cross the barrier. Average transition path times and, recently, their full probability distribution have been measured for several biomolecular systems, e.g., in the folding of nucleic acids or proteins. Motivated by these experiments, we have calculated the full transition path time distribution for a single stochastic particle crossing a parabolic barrier, including inertial terms which were neglected in previous studies. These terms influence the short time scale dynamics of a stochastic system and can be of experimental relevance in view of the short duration of transition paths. We derive the full transition path time distribution as well as the average transition path times and discuss the similarities and differences with the high friction limit.

Giant dipole resonance and shape transitions in hot and rotating 88Mo

NASA Astrophysics Data System (ADS)

Rhine Kumar, A. K.; Arumugam, P.; Dang, N. Dinh; Mazumdar, I.

2017-08-01

The giant dipole resonance (GDR) observables are calculated within the thermal shape fluctuation model by considering the probability distributions of different angular momentum (I ) and temperature (T ) values estimated recently in the deexcitation process of the compound nucleus 88Mo. These results are found to be very similar to the results obtained with the average T (Tave) and average I (Iave) corresponding to those distributions. The shape transitions in 88Mo at different T and I are also studied through the free energy surfaces calculated within the microscopic-macroscopic approach. The deformation of 88Mo is found to increase considerably with T and I , leading to the Jacobi shape transition at I ˜50 ℏ . The combined effect of increasing deformation, larger fluctuations at higher T , and larger Coriolis splitting of GDR components at higher I , leads to a rapid increase in the GDR width.

Atomic Spectroscopic Databases at NIST

NASA Technical Reports Server (NTRS)

Reader, J.; Kramida, A. E.; Ralchenko, Yu.

2006-01-01

We describe recent work at NIST to develop and maintain databases for spectra, transition probabilities, and energy levels of atoms that are astrophysically important. Our programs to critically compile these data as well as to develop a new database to compare plasma calculations for atoms that are not in local thermodynamic equilibrium are also summarized.

Study of the structure of yrast bands of neutron-rich 114-124Pd isotopes

NASA Astrophysics Data System (ADS)

Chaudhary, Ritu; Devi, Rani; Khosa, S. K.

2018-02-01

The projected shell model calculations have been carried out in the neutron-rich 114-124Pd isotopic mass chain. The results have been obtained for the deformation systematics of E(2+1) and E(4+1)/E({2}+1) values, BCS subshell occupation numbers, yrast spectra, backbending phenomena, B( E2) transition probabilities and g-factors in these nuclei. The observed systematics of E(2+1) values and R_{42} ratios in the 114-124Pd isotopic mass chain indicate that there is a decrease of collectivity as the neutron number increases from 68 to 78. The occurrence of backbending in these nuclei as well as the changes in the calculated B( E2) transition probabilities and g -factors predict that there are changes in the structure of yrast bands in these nuclei. These changes occur at the spin where there is crossing of g-band by 2-qp bands. The predicted backbendings and predicted values of B( E2)s and g-factors in some of the isotopes need to be confirmed experimentally.

Simulated tempering based on global balance or detailed balance conditions: Suwa-Todo, heat bath, and Metropolis algorithms.

PubMed

Mori, Yoshiharu; Okumura, Hisashi

2015-12-05

Simulated tempering (ST) is a useful method to enhance sampling of molecular simulations. When ST is used, the Metropolis algorithm, which satisfies the detailed balance condition, is usually applied to calculate the transition probability. Recently, an alternative method that satisfies the global balance condition instead of the detailed balance condition has been proposed by Suwa and Todo. In this study, ST method with the Suwa-Todo algorithm is proposed. Molecular dynamics simulations with ST are performed with three algorithms (the Metropolis, heat bath, and Suwa-Todo algorithms) to calculate the transition probability. Among the three algorithms, the Suwa-Todo algorithm yields the highest acceptance ratio and the shortest autocorrelation time. These suggest that sampling by a ST simulation with the Suwa-Todo algorithm is most efficient. In addition, because the acceptance ratio of the Suwa-Todo algorithm is higher than that of the Metropolis algorithm, the number of temperature states can be reduced by 25% for the Suwa-Todo algorithm when compared with the Metropolis algorithm. © 2015 Wiley Periodicals, Inc.

Branching ratios of α-decay to ground and excited states of Fm, Cf, Cm and Pu

NASA Astrophysics Data System (ADS)

Hassanabadi, H.; Hosseini, S. S.

2018-06-01

We use the well-known Wentzel-Kramers-Brillouin (WKB) barrier penetration probability to calculate α-decay branching ratios for ground and excited states of heavy even-even nuclei of Fermium (248-254Fm), Californium (244-252Cf), Curium (238-248Cm) and Plutonium (234-244Pu) with 94 ≤Zp ≤100. We obtained the branching ratios for the excited states of daughter nucleus by the α-decay energy (Qα), the angular momentum of α-particle (ℓα), and the excitation probability of the daughter nucleus with the excitation energy of state ℓ in the daughter nucleus (i.e. Eℓ*). α-Decay half-lives have been evaluated by using the proximity potential model for the heavy even-even nuclei. We have reported the half-lives and compared the results with the experimental data. The theoretical branching ratios of α-transitions in our calculation are found to agree with the available experimental data well for 0+→ 0+, 0+→ 2+, 0+→ 4+, 0+→ 6+ and 0+ → 8+α-transitions.

Microscopic description of triaxiality in Ru isotopes with covariant energy density functional theory

NASA Astrophysics Data System (ADS)

Shi, Z.; Li, Z. P.

2018-03-01

Background: Triaxiality in nuclear low-lying states has attracted great interest for many years. Recently, reduced transition probabilities for levels near the ground state in 110Ru have been measured and provided strong evidence of a triaxial shape of this nucleus. Purpose: The aim of this work is to provide a microscopic study of low-lying states for Ru isotopes with A ≈100 and to examine in detail the role of triaxiality and the evolution of quadrupole shapes with the isospin and spin degrees of freedom. Method: Low-lying excitation spectra and transition probabilities of even-even Ru isotopes are described at the beyond-mean-field level by solving a five-dimensional collective Hamiltonian with parameters determined by constrained self-consistent mean-field calculations based on the relativistic energy density functional PC-PK1. Results: The calculated energy surfaces, low-energy spectra, and intraband and interband transition rates, as well as some characteristic collective observables, such as E (4g.s . +) /E (2g.s . +) ,E (2γ+) /E (4g.s . +) , and B (E 2 ;2g.s . +→0g.s . +) and γ -band staggerings, are in good agreement with the available experimental data. Conclusions: The main features of the experimental low-lying excitation spectra and electric transition rates are well reproduced and, thus, strongly support the onset of triaxiality in the low-lying excited states of Ru isotopes around 110Ru.

Effect of BrU on the transition between wobble Gua-Thy and tautomeric Gua-Thy base-pairs: ab initio molecular orbital calculations

NASA Astrophysics Data System (ADS)

Nomura, Kazuya; Hoshino, Ryota; Hoshiba, Yasuhiro; Danilov, Victor I.; Kurita, Noriyuki

2013-04-01

We investigated transition states (TS) between wobble Guanine-Thymine (wG-T) and tautomeric G-T base-pair as well as Br-containing base-pairs by MP2 and density functional theory (DFT) calculations. The obtained TS between wG-T and G*-T (asterisk is an enol-form of base) is different from TS got by the previous DFT calculation. The activation energy (17.9 kcal/mol) evaluated by our calculation is significantly smaller than that (39.21 kcal/mol) obtained by the previous calculation, indicating that our TS is more preferable. In contrast, the obtained TS and activation energy between wG-T and G-T* are similar to those obtained by the previous DFT calculation. We furthermore found that the activation energy between wG-BrU and tautomeric G-BrU is smaller than that between wG-T and tautomeric G-T. This result elucidates that the replacement of CH3 group of T by Br increases the probability of the transition reaction producing the enol-form G* and T* bases. Because G* prefers to bind to T rather than to C, and T* to G not A, our calculated results reveal that the spontaneous mutation from C to T or from A to G base is accelerated by the introduction of wG-BrU base-pair.

Analysis of the E2 transitions for /sup 3/H-/alpha/ cluster states of /sup 7/Li by the resonating group method

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

Xu Pu; Zhao Xuan; Zeng Fanan

1989-07-01

It is suggested that the ground state and the 1st, 2nd, and 3rd excited states of /sup 7/Li are /sup 3/H-/alpha/ cluster-structure states. Using the resonating group method (RGM), the eigenvalues and eigenfunctions of these states as well as the reduced E2 transition probabilities between these states are calculated and are consistent with the experimental values. The results show that the RGM is much better than the harmonic oscillator model used by Bernheim /ital et/ /ital al/. in predicting the E2 transition rates.

Theoretical calculations of rotationally inelastic collisions of He with NaK(A {sup 1}Σ{sup +}): Transfer of population, orientation, and alignment

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

Malenda, R. F.; Price, T. J.; Stevens, J.

2015-06-14

We have performed extensive calculations to investigate thermal energy, rotationally inelastic collisions of NaK (A{sup 1}Σ{sup +}) with He. We determined a potential energy surface using a multi-reference configuration interaction wave function as implemented by the GAMESS electronic structure code, and we have performed coupled channel scattering calculations using the Arthurs and Dalgarno formalism. We also calculate the Grawert coefficients B{sub λ}(j, j′) for each j → j′ transition. These coefficients are used to determine the probability that orientation and alignment are preserved in collisions taking place in a cell environment. The calculations include all rotational levels with j ormore » j′ between 0 and 50, and total (translational and rotational) energies in the range 0.0002–0.0025 a.u. (∼44–550 cm{sup −1}). The calculated cross sections for transitions with even values of Δj tend to be larger than those for transitions with odd Δj, in agreement with the recent experiments of Wolfe et al. (J. Chem. Phys. 134, 174301 (2011)). The calculations of the energy dependence of the cross sections and the calculations of the fraction of orientation and alignment preserved in collisions also exhibit distinctly different behaviors for odd and even values of Δj. The calculations also indicate that the average fraction of orientation or alignment preserved in a transition becomes larger as j increases. We interpret this behavior using the semiclassical model of Derouard, which also leads to a simple way of visualizing the distribution of the angles between the initial and final angular momentum vectors j and j′. Finally, we compare the exact quantum results for j → j′ transitions with results based on the simpler, energy sudden approximation. That approximation is shown to be quite accurate.« less

Relations between the single-pass and double-pass transition probabilities in quantum systems with two and three states

NASA Astrophysics Data System (ADS)

Vitanov, Nikolay V.

2018-05-01

In the experimental determination of the population transfer efficiency between discrete states of a coherently driven quantum system it is often inconvenient to measure the population of the target state. Instead, after the interaction that transfers the population from the initial state to the target state, a second interaction is applied which brings the system back to the initial state, the population of which is easy to measure and normalize. If the transition probability is p in the forward process, then classical intuition suggests that the probability to return to the initial state after the backward process should be p2. However, this classical expectation is generally misleading because it neglects interference effects. This paper presents a rigorous theoretical analysis based on the SU(2) and SU(3) symmetries of the propagators describing the evolution of quantum systems with two and three states, resulting in explicit analytic formulas that link the two-step probabilities to the single-step ones. Explicit examples are given with the popular techniques of rapid adiabatic passage and stimulated Raman adiabatic passage. The present results suggest that quantum-mechanical probabilities degrade faster in repeated processes than classical probabilities. Therefore, the actual single-pass efficiencies in various experiments, calculated from double-pass probabilities, might have been greater than the reported values.

Relativistic atomic structure calculations and electron impact excitations of Fe23+

NASA Astrophysics Data System (ADS)

El-Maaref, A. A.

2016-02-01

Relativistic calculations using the multiconfiguration Dirac-Fock method for energy levels, oscillator strengths, and electronic dipole transition probabilities of Li-like iron (Fe23+) are presented. A configuration state list with the quantum numbers nl, where n = 2 - 7 and l = s , p , d , f , g , h , i has been considered. Excitations up to three electrons and correlation contributions from higher orbitals up to 7 l have been included. Contributions from core levels have been taken into account, EOL (extended optimal level) type calculations have been applied, and doubly excited levels are considered. The calculations have been executed by using the fully relativistic atomic structure package GRASP2K. The present calculations have been compared with the available experimental and theoretical sources, the comparisons show a good agreement between the present results of energy levels and oscillator strengths with the literature. In the second part of the present study, the atomic data (energy levels, and radiative parameters) have been used to calculate the excitation and deexcitation rates of allowed transitions by electron impact, as well as the population densities of some excited levels at different electron temperatures.

Method to measure efficiently rare fluctuations of turbulence intensity for turbulent-laminar transitions in pipe flows

NASA Astrophysics Data System (ADS)

Nemoto, Takahiro; Alexakis, Alexandros

2018-02-01

The fluctuations of turbulence intensity in a pipe flow around the critical Reynolds number is difficult to study but important because they are related to turbulent-laminar transitions. We here propose a rare-event sampling method to study such fluctuations in order to measure the time scale of the transition efficiently. The method is composed of two parts: (i) the measurement of typical fluctuations (the bulk part of an accumulative probability function) and (ii) the measurement of rare fluctuations (the tail part of the probability function) by employing dynamics where a feedback control of the Reynolds number is implemented. We apply this method to a chaotic model of turbulent puffs proposed by Barkley and confirm that the time scale of turbulence decay increases super exponentially even for high Reynolds numbers up to Re =2500 , where getting enough statistics by brute-force calculations is difficult. The method uses a simple procedure of changing Reynolds number that can be applied even to experiments.

Controlling protein molecular dynamics: How to accelerate folding while preserving the native state

NASA Astrophysics Data System (ADS)

Jensen, Christian H.; Nerukh, Dmitry; Glen, Robert C.

2008-12-01

The dynamics of peptides and proteins generated by classical molecular dynamics (MD) is described by using a Markov model. The model is built by clustering the trajectory into conformational states and estimating transition probabilities between the states. Assuming that it is possible to influence the dynamics of the system by varying simulation parameters, we show how to use the Markov model to determine the parameter values that preserve the folded state of the protein and at the same time, reduce the folding time in the simulation. We investigate this by applying the method to two systems. The first system is an imaginary peptide described by given transition probabilities with a total folding time of 1μs. We find that only small changes in the transition probabilities are needed to accelerate (or decelerate) the folding. This implies that folding times for slowly folding peptides and proteins calculated using MD cannot be meaningfully compared to experimental results. The second system is a four residue peptide valine-proline-alanine-leucine in water. We control the dynamics of the transitions by varying the temperature and the atom masses. The simulation results show that it is possible to find the combinations of parameter values that accelerate the dynamics and at the same time preserve the native state of the peptide. A method for accelerating larger systems without performing simulations for the whole folding process is outlined.

Optimal inventories for overhaul of repairable redundant systems - A Markov decision model

NASA Technical Reports Server (NTRS)

Schaefer, M. K.

1984-01-01

A Markovian decision model was developed to calculate the optimal inventory of repairable spare parts for an avionics control system for commercial aircraft. Total expected shortage costs, repair costs, and holding costs are minimized for a machine containing a single system of redundant parts. Transition probabilities are calculated for each repair state and repair rate, and optimal spare parts inventory and repair strategies are determined through linear programming. The linear programming solutions are given in a table.

Evolution of ion emission yield of alloys with the nature of the solute. 2: Interpretation

NASA Technical Reports Server (NTRS)

Blaise, G.; Slodzian, G.

1977-01-01

Solid solutions of transition elements in copper, nickel, cobalt, iron, and aluminum matrices were analyzed by observing secondary ion emissions under bombardment with 6.2-keV argon ions. Enchancement of the production of solute-element ions was observed. An ion emission model is proposed according to which the ion yield is governed by the probability of an atom leaving the metal in a preionized state. The energy distribution of the valence electrons of the solute atoms is the bases of the probability calculation.

Dynamics of electronic transitions and reemission spectra of attosecond electromagnetic pulses

NASA Astrophysics Data System (ADS)

Matveev, V. I.; Makarov, D. N.

2014-05-01

The processes of reemission of attosecond electromagnetic pulses by systems in nonstationary states have been considered. The probabilities of the reemission of attosecond electromagnetic pulses at the resonance charge exchange of a proton on a hydrogen atom and at the decay of a quasistationary state, as well as the probabilities of the reemission of attosecond pulses by a system in a resonance external field, have been calculated as examples. The developed method can be applied to more complex targets, including targets in the collision state, and to various chemical reactions.

Proposed software system for atomic-structure calculation

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

Fischer, C.F.

1981-07-01

Atomic structure calculations are understood well enough that, at a routine level, an atomic structure software package can be developed. At the Atomic Physics Conference in Riga, 1978 L.V. Chernysheva and M.Y. Amusia of Leningrad University, presented a paper on Software for Atomic Calculations. Their system, called ATOM is based on the Hartree-Fock approximation and correlation is included within the framework of RPAE. Energy level calculations, transition probabilities, photo-ionization cross-sections, electron scattering cross-sections are some of the physical properties that can be evaluated by their system. The MCHF method, together with CI techniques and the Breit-Pauli approximation also provides amore » sound theoretical basis for atomic structure calculations.« less

Accurate Calculation of Oscillator Strengths for CI II Lines Using Non-orthogonal Wavefunctions

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2004-01-01

Non-orthogonal orbitals technique in the multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities for allowed and intercombination lines in Cl II. The relativistic corrections are included through the Breit-Pauli Hamiltonian. The Cl II wave functions show strong term dependence. The non-orthogonal orbitals are used to describe the term dependence of radial functions. Large sets of spectroscopic and correlation functions are chosen to describe adequately strong interactions in the 3s(sup 2)3p(sup 3)nl (sup 3)Po, (sup 1)Po and (sup 3)Do Rydberg series and to properly account for the important correlation and relaxation effects. The length and velocity forms of oscillator strength show good agreement for most transitions. The calculated radiative lifetime for the 3s3p(sup 5) (sup 3)Po state is in good agreement with experiment.

MD modeling of screw dislocation influence upon initiation and mechanism of BCC-HCP polymorphous transition in iron

NASA Astrophysics Data System (ADS)

Dremov, V. V.; Ionov, G. V.; Sapozhnikov, F. A.; Smirnov, N. A.; Karavaev, A. V.; Vorobyova, M. A.; Ryzhkov, M. V.

2015-09-01

The present work is devoted to classical molecular dynamics investigation into microscopic mechanisms of the bcc-hcp transition in iron. The interatomic potential of EAM type used in the calculations was tested for the capability to reproduce ab initio data on energy evolution along the bcc-hcp transformation path (Burgers deformation + shuffe) and then used in the large-scale MD simulations. The large-scale simulations included constant volume deformation along the Burgers path to study the origin and nature of the plasticity, hydrostatic volume compression of defect free samples above the bcc to hcp transition threshold to observe the formation of new phase embryos, and the volume compression of samples containing screw dislocations to study the effect of the dislocations on the probability of the new phase critical embryo formation. The volume compression demonstrated high level of metastability. The transition starts at pressure much higher than the equilibrium one. Dislocations strongly affect the probability of the critical embryo formation and significantly reduce the onset pressure of transition. The dislocations affect also the resulting structure of the samples upon the transition. The formation of layered structure is typical for the samples containing the dislocations. The results of the simulations were compared with the in-situ experimental data on the mechanism of the bcc-hcp transition in iron.

Transition Probabilities of Emissions and Rotationless Radiative Lifetimes of Vibrational Levels for the PO Radical

NASA Astrophysics Data System (ADS)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-06-01

This work investigates the transition dipole moments (TDMs) and transition probabilities of electric dipole emissions between the X2Π, B2Σ+, B‧2Π, D‧2Π, C2Σ‑, C‧2Δ, F2Σ+, and P2Π states of the PO radical. The TDMs of 23 pairs of states are calculated by the internally contracted multireference configuration method with the aug-cc-pV6Z basis set. The vibrational band origins, Franck–Condon factors, and Einstein coefficients of all the spontaneous emissions are evaluated. The rotationless radiative lifetimes of the vibrational levels are approximately 10‑7–10‑8 s for the B2Σ+, C2Σ‑, C‧2Δ, P2Π, and F2Σ+ states; 10‑4–10‑5 s for the B‧2Π state; and 10‑1–10‑2 s for the D‧2Π state. The Einstein coefficients of many emissions are large for the B2Σ+–X2Π, B‧2Π–X2Π, C‧2Δ–X2Π, C2Σ‑–X2Π, F2Σ+–X2Π, P2Π–X2Π, P2Π–B‧2Π, and P2Π–D‧2Π systems. Almost all the spontaneous emissions arising from the D‧2Π state are very weak. The vibrational band origins of these emissions extend from the UV into the far-infrared spectra. The radiative lifetimes and vibrational band origins are compared with available experimental and theoretical values. According to the radiative lifetimes and transition probabilities obtained in this paper, some guidelines for detecting these states spectroscopically are proposed. The TDMs and transition probabilities reported here are considered to be reliable and can be used as guidelines for detecting similar transitions, especially those in interstellar space.

Physical parameters for proton induced K-, L-, and M-shell ionization processes

NASA Astrophysics Data System (ADS)

Shehla; Puri, Sanjiv

2016-10-01

The proton induced atomic inner-shell ionization processes comprising radiative and non-radiative transitions are characterized by physical parameters, namely, the proton ionization cross sections, X-ray emission rates, fluorescence yields and Coster-Kronig (CK) transition probabilities. These parameters are required to calculate the K/L/M shell X-ray production (XRP) cross sections and relative X-ray intensity ratios, which in turn are required for different analytical applications. The current status of different physical parameters is presented in this report for use in various applications.

Evaluation of drought using SPEI drought class transitions and log-linear models for different agro-ecological regions of India

NASA Astrophysics Data System (ADS)

Alam, N. M.; Sharma, G. C.; Moreira, Elsa; Jana, C.; Mishra, P. K.; Sharma, N. K.; Mandal, D.

2017-08-01

Markov chain and 3-dimensional log-linear models were attempted to model drought class transitions derived from the newly developed drought index the Standardized Precipitation Evapotranspiration Index (SPEI) at a 12 month time scale for six major drought prone areas of India. Log-linear modelling approach has been used to investigate differences relative to drought class transitions using SPEI-12 time series derived form 48 yeas monthly rainfall and temperature data. In this study, the probabilities of drought class transition, the mean residence time, the 1, 2 or 3 months ahead prediction of average transition time between drought classes and the drought severity class have been derived. Seasonality of precipitation has been derived for non-homogeneous Markov chains which could be used to explain the effect of the potential retreat of drought. Quasi-association and Quasi-symmetry log-linear models have been fitted to the drought class transitions derived from SPEI-12 time series. The estimates of odds along with their confidence intervals were obtained to explain the progression of drought and estimation of drought class transition probabilities. For initial months as the drought severity increases the calculated odds shows lower value and the odds decreases for the succeeding months. This indicates that the ratio of expected frequencies of occurrence of transition from drought class to the non-drought class decreases as compared to transition to any drought class when the drought severity of the present class increases. From 3-dimensional log-linear model it is clear that during the last 24 years the drought probability has increased for almost all the six regions. The findings from the present study will immensely help to assess the impact of drought on the gross primary production and to develop future contingent planning in similar regions worldwide.

Theoretical level energies and transition data for 4p64d4, 4p64d34f and 4p54d5 configurations of W34+ ion

NASA Astrophysics Data System (ADS)

Karpuškienė, R.; Bogdanovich, P.; Kisielius, R.

2017-05-01

The ab initio quasirelativistic approach developed specifically for the calculation of spectral parameters of highly charged ions was used to derive transition data for the tungsten ion W34+. The configuration interaction method was applied to include electron correlation effects. The relativistic effects were taken into account in the Breit-Pauli approximation. The level energies, radiative lifetimes τ, Landé g-factors are determined for the ground configuration 4p64d4 and two excited configurations 4p64d34f and 4p54d5. The radiative transition wavelengths λ and emission transition probabilities A for the electric dipole, electric quadrupole, electric octupole, magnetic dipole, and magnetic quadrupole transitions among the levels of these configurations are produced.

Rate Constant and Reaction Coordinate of Trp-Cage Folding in Explicit Water

PubMed Central

Juraszek, Jarek; Bolhuis, Peter G.

2008-01-01

We report rate constant calculations and a reaction coordinate analysis of the rate-limiting folding and unfolding process of the Trp-cage mini-protein in explicit solvent using transition interface sampling. Previous transition path sampling simulations revealed that in this (un)folding process the protein maintains its compact configuration, while a (de)increase of secondary structure is observed. The calculated folding rate agrees reasonably with experiment, while the unfolding rate is 10 times higher. We discuss possible origins for this mismatch. We recomputed the rates with the forward flux sampling method, and found a discrepancy of four orders of magnitude, probably caused by the method's higher sensitivity to the choice of order parameter with respect to transition interface sampling. Finally, we used the previously computed transition path-sampling ensemble to screen combinations of many order parameters for the best model of the reaction coordinate by employing likelihood maximization. We found that a combination of the root mean-square deviation of the helix and of the entire protein was, of the set of tried order parameters, the one that best describes the reaction coordination. PMID:18676648

Phase transitions in community detection: A solvable toy model

NASA Astrophysics Data System (ADS)

Ver Steeg, Greg; Moore, Cristopher; Galstyan, Aram; Allahverdyan, Armen

2014-05-01

Recently, it was shown that there is a phase transition in the community detection problem. This transition was first computed using the cavity method, and has been proved rigorously in the case of q = 2 groups. However, analytic calculations using the cavity method are challenging since they require us to understand probability distributions of messages. We study analogous transitions in the so-called “zero-temperature inference” model, where this distribution is supported only on the most likely messages. Furthermore, whenever several messages are equally likely, we break the tie by choosing among them with equal probability, corresponding to an infinitesimal random external field. While the resulting analysis overestimates the thresholds, it reproduces some of the qualitative features of the system. It predicts a first-order detectability transition whenever q > 2 (as opposed to q > 4 according to the finite-temperature cavity method). It also has a regime analogous to the “hard but detectable” phase, where the community structure can be recovered, but only when the initial messages are sufficiently accurate. Finally, we study a semisupervised setting where we are given the correct labels for a fraction ρ of the nodes. For q > 2, we find a regime where the accuracy jumps discontinuously at a critical value of ρ.

Dynamic properties of molecular motors in burnt-bridge models

NASA Astrophysics Data System (ADS)

Artyomov, Maxim N.; Morozov, Alexander Yu; Pronina, Ekaterina; Kolomeisky, Anatoly B.

2007-08-01

Dynamic properties of molecular motors that fuel their motion by actively interacting with underlying molecular tracks are studied theoretically via discrete-state stochastic 'burnt-bridge' models. The transport of the particles is viewed as an effective diffusion along one-dimensional lattices with periodically distributed weak links. When an unbiased random walker passes the weak link it can be destroyed ('burned') with probability p, providing a bias in the motion of the molecular motor. We present a theoretical approach that allows one to calculate exactly all dynamic properties of motor proteins, such as velocity and dispersion, under general conditions. It is found that dispersion is a decreasing function of the concentration of bridges, while the dependence of dispersion on the burning probability is more complex. Our calculations also show a gap in dispersion for very low concentrations of weak links or for very low burning probabilities which indicates a dynamic phase transition between unbiased and biased diffusion regimes. Theoretical findings are supported by Monte Carlo computer simulations.

The angular electronic band structure and free particle model of aromatic molecules: High-frequency photon-induced ring current

NASA Astrophysics Data System (ADS)

Öncan, Mehmet; Koç, Fatih; Şahin, Mehmet; Köksal, Koray

2017-05-01

This work introduces an analysis of the relationship of first-principles calculations based on DFT method with the results of free particle model for ring-shaped aromatic molecules. However, the main aim of the study is to reveal the angular electronic band structure of the ring-shaped molecules. As in the case of spherical molecules such as fullerene, it is possible to observe a parabolic dispersion of electronic states with the variation of angular quantum number in the planar ring-shaped molecules. This work also discusses the transition probabilities between the occupied and virtual states by analyzing the angular electronic band structure and the possibility of ring currents in the case of spin angular momentum (SAM) or orbital angular momentum (OAM) carrying light. Current study focuses on the benzene molecule to obtain its angular electronic band structure. The obtained electronic band structure can be considered as a useful tool to see the transition probabilities between the electronic states and possible contribution of the states to the ring currents. The photoinduced current due to the transfer of SAM into the benzene molecule has been investigated by using analytical calculations within the frame of time-dependent perturbation theory.

Transition probability spaces in loop quantum gravity

NASA Astrophysics Data System (ADS)

Guo, Xiao-Kan

2018-03-01

We study the (generalized) transition probability spaces, in the sense of Mielnik and Cantoni, for spacetime quantum states in loop quantum gravity. First, we show that loop quantum gravity admits the structures of transition probability spaces. This is exemplified by first checking such structures in covariant quantum mechanics and then identifying the transition probability spaces in spin foam models via a simplified version of general boundary formulation. The transition probability space thus defined gives a simple way to reconstruct the discrete analog of the Hilbert space of the canonical theory and the relevant quantum logical structures. Second, we show that the transition probability space and in particular the spin foam model are 2-categories. Then we discuss how to realize in spin foam models two proposals by Crane about the mathematical structures of quantum gravity, namely, the quantum topos and causal sites. We conclude that transition probability spaces provide us with an alternative framework to understand various foundational questions of loop quantum gravity.

Electronic propensity rules in Li-H+ collisions involving initial and/or final oriented states

NASA Astrophysics Data System (ADS)

Salas, P. J.

2000-12-01

Electronic excitation and capture processes are studied in collisions involving systems with only one active electron such as the alkaline (Li)-proton in the medium-energy region (0.1-15 keV). Using the semiclassical impact parameter method, the probabilities and the orientation parameter are calculated for transitions between initial and/or final oriented states. The results show a strong asymmetry in the probabilities depending on the orientation of the initial and/or final states. An intuitive view of the processes, by means of the concepts of propensity and velocity matching rules, is provided.

Estimation of State Transition Probabilities: A Neural Network Model

NASA Astrophysics Data System (ADS)

Saito, Hiroshi; Takiyama, Ken; Okada, Masato

2015-12-01

Humans and animals can predict future states on the basis of acquired knowledge. This prediction of the state transition is important for choosing the best action, and the prediction is only possible if the state transition probability has already been learned. However, how our brains learn the state transition probability is unknown. Here, we propose a simple algorithm for estimating the state transition probability by utilizing the state prediction error. We analytically and numerically confirmed that our algorithm is able to learn the probability completely with an appropriate learning rate. Furthermore, our learning rule reproduced experimentally reported psychometric functions and neural activities in the lateral intraparietal area in a decision-making task. Thus, our algorithm might describe the manner in which our brains learn state transition probabilities and predict future states.

Spectroscopic properties of HoAl3(BO3)4 single crystal

NASA Astrophysics Data System (ADS)

Ikonnikov, D. A.; Malakhovskii, A. V.; Sukhachev, A. L.; Temerov, V. L.; Krylov, A. S.; Bovina, A. F.; Aleksandrovsky, A. S.

2014-11-01

The Judd-Ofelt theory has been applied to analyze absorption spectra of Ho3+ ion in HoAl3(BO3)4 measured in spectral range 300-700 nm at room temperature. The Judd-Ofelt spectroscopic parameters have been determined as: Ω2 = 18.87 × 10-20 cm2, Ω4 = 17.04 × 10-20 cm2, Ω6 = 9.21 × 10-20 cm2. These parameters have been used to calculate radiative lifetimes and branching ratios of the luminescence manifolds. Three luminescent bands were found in the spectral range 450-700 nm ascribed to transitions from the 5F5, (5F4, 5S2) and 3K8 states to the ground state 5I8. Experimental intensities of these luminescence transitions were compared with those calculated by using Judd-Ofelt theory and the system of kinetic equations for populations of starting luminescing states. Probabilities of radiativeless transitions were evaluated from this comparison.

Radiative lifetimes, branching fractions, and oscillator strengths of some levels in Be I

NASA Astrophysics Data System (ADS)

Wang, Xinghao; Quinet, Pascal; Li, Qiu; Yu, Qi; Li, Yongfan; Wang, Qian; Gong, Yimin; Dai, Zhenwen

2018-06-01

Radiative lifetimes of five levels in Be I lying in the energy range 64,506.45-71,160.52 cm-1 were measured by the time-resolved laser-induced fluorescence technique. These new data, together with previously measured radiative lifetimes and two reliable calculated lifetimes, were combined with branching fractions obtained from pseudo-relativistic Hartree-Fock calculations to deduce semi-empirical transition probabilities and oscillator strengths for 90 Be I spectral lines involving upper levels ranging from 42,565.35 to 72,251.27 cm-1.

Relativistic Coulomb excitation of the giant dipole resonance in nuclei: How to calculate transition probabilities without invoking the Lienard-Wiechert relativistic scalar and vector potentials

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

Dasso, C.H.; Gallardo, M.

2006-01-15

The conclusions extracted from a recent study of the excitation of giant dipole resonances in nuclei at relativistic bombarding energies open the way for a further simplification of the problem. It consists in the elimination of the relativistic scalar and vector electromagnetic potentials and the familiar numerical difficulties associated with their presence in the calculation scheme. The inherent advantage of a reformulation of the problem of relativistic Coulomb excitation of giant dipole resonances along these lines is discussed.

VizieR Online Data Catalog: Stellar and planet properties for K2 candidates (Montet+, 2015)

NASA Astrophysics Data System (ADS)

Montet, B. T.; Morton, T. D.; Foreman-Mackey, D.; Johnson, J. A.; Hogg, D. W.; Bowler, B. P.; Latham, D. W.; Bieryla, A.; Mann, A. W.

2017-09-01

In this paper, we present stellar and planetary parameters for each system. We also analyze the false positive probability (FPP) of each system using vespa, a new publicly available, general-purpose implementation of the Morton (2012ApJ...761....6M) procedure to calculate FPPs for transiting planets. Through this analysis, as well as archival imaging, ground-based seeing-limited survey data, and adaptive optics imaging, we are able to confirm 21 of these systems as transiting planets at the 99% confidence level. Additionally, we identify six systems as false positives. (5 data files).

Experimental and Coupled-channels Investigation of the Radiative Properties of the N2 c4 (sup 1)Sigma+(sub u) - X (sup 1)Sigma+(sub g) Band System

NASA Technical Reports Server (NTRS)

Liu, Xianming; Shemansky, Donald E.; Malone, Charles P.; Johnson, Paul V.; Ajello, Joseph M.; Kanik, Isik; Heays, Alan N.; Lewis, Brenton R.; Gibson, Stephen T.; Stark, Glenn

2008-01-01

The emission properties of the N2 c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) band system have been investigated in a joint experimental and coupled-channels theoretical study. Relative intensities of the c(sup prime)(sub 4) (sup 1)Sigma+(sub u)(0) - Chi (sup 1)Sigma+(sub g)(v(sub i)) transitions, measured via electron-impact-induced emission spectroscopy, are combined with a coupled-channel Schroedinger equation (CSE) model of the N2 molecule, enabling determination of the diabatic electronic transition moment for the c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) system as a function of internuclear distance. The CSE probabilities are further verified by comparison with a high-resolution experimental spectrum. Spontaneous transition probabilities of the c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) modeling atmospheric emission, can now be calculated reliably.

Transition and Electron Impact Excitation Collision Rates for O III

NASA Astrophysics Data System (ADS)

Tayal, S. S.; Zatsarinny, O.

2017-12-01

Transition probabilities, electron excitation collision strengths, and rate coefficients for a large number of O III lines over a broad wavelength range, from the infrared to ultraviolet, have been reported. The collision strengths have been calculated in the close-coupling approximation using the B-spline Breit-Pauli R-matrix method. The multiconfiguration Hartree-Fock method in combination with B-spline expansions is employed for an accurate representation of the target wave functions. The close-coupling expansion contains 202 O2+ fine-structure levels of the 2{s}22{p}2,2s2{p}3, 2{p}4,2{s}22p3s,3p,3d, 4s,4p,4d,4f,5s, and 2s2{p}33s,3p,3d configurations. The effective collision strengths are obtained by averaging electron excitation collision strengths over a Maxwellian distribution of velocities at electron temperatures ranging from 100 to 100,000 K. The calculated effective collision strengths have been reported for the 20,302 transitions between all 202 fine-structure levels. There is an overall good agreement with the recent R-matrix calculations by Storey et al. for the transitions between all levels of the ground 2{s}22{p}2 configuration, but significant discrepancies have been found with Palay et al. for transitions to the 2{s}22{p}2 1 S 0 level. Line intensity ratios between the optical lines arising from the 2{s}22{p}2{}3{P}{0,1,2} - 1 D 2 transitions have been compared with other calculations and observations from the photoionized gaseous nebulae, and good agreement is found. The present calculations provide the most complete and accurate data sets, which should allow a more detailed treatment of the available measured spectra from different ground and space observatories.

A preliminary investigation of boundary-layer transition along a flat plate with adverse pressure gradient

NASA Technical Reports Server (NTRS)

Von Doenhoff, Albert E

1938-01-01

Boundary-layer surveys were made throughout the transition region along a smooth flat plate placed in an airstream of practically zero turbulence and with an adverse pressure gradient. The boundary-layer Reynolds number at the laminar separation point was varied from 1,800 to 2,600. The test data, when considered in the light of certain theoretical deductions, indicated that transition probably began with separation of the laminar boundary layer. The extent of the transition region, defined as the distance from a calculated laminar separation point to the position of the first fully developed turbulent boundary-layer profile, could be expressed as a constant Reynolds number run of approximately 70,000. Some speculations are presented concerning the application of the foregoing concepts, after certain assumptions have been made, to the problem of the connection between transition on the upper surface of an airfoil at high angles of attack and the maximum lift.

Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier.

PubMed

Mökkönen, Harri; Ala-Nissila, Tapio; Jónsson, Hannes

2016-09-07

The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort.

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

Wagner, Albert F., E-mail: wagner@anl.gov; Dawes, Richard; Continetti, Robert E.

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO{sub 2} on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experimentmore » occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least amount of information about the reaction path and produces too high a tunneling probability on PIP-NN surface, leading to survival fractions that peak at half their measured values.« less

Intensity of emission lines of the quiescent solar corona: comparison between calculated and observed values

NASA Astrophysics Data System (ADS)

Krissinel, Boris

2018-03-01

The paper reports the results of calculations of the center-to-limb intensity of optically thin line emission in EUV and FUV wavelength ranges. The calculations employ a multicomponent model for the quiescent solar corona. The model includes a collection of loops of various sizes, spicules, and free (inter-loop) matter. Theoretical intensity values are found from probabilities of encountering parts of loops in the line of sight with respect to the probability of absence of other coronal components. The model uses 12 loops with sizes from 3200 to 210000 km with different values of rarefaction index and pressure at the loop base and apex. The temperature at loop apices is 1 400 000 K. The calculations utilize the CHIANTI database. The comparison between theoretical and observed emission intensity values for coronal and transition region lines obtained by the SUMER, CDS, and EIS telescopes shows quite satisfactory agreement between them, particularly for the solar disk center. For the data acquired above the limb, the enhanced discrepancies after the analysis refer to errors in EIS measurements.

Transition probabilities of Ce I obtained from Boltzmann analysis of visible and near-infrared emission spectra

NASA Astrophysics Data System (ADS)

Nitz, D. E.; Curry, J. J.; Buuck, M.; DeMann, A.; Mitchell, N.; Shull, W.

2018-02-01

We report radiative transition probabilities for 5029 emission lines of neutral cerium within the wavelength range 417-1110 nm. Transition probabilities for only 4% of these lines have been previously measured. These results are obtained from a Boltzmann analysis of two high resolution Fourier transform emission spectra used in previous studies of cerium, obtained from the digital archives of the National Solar Observatory at Kitt Peak. The set of transition probabilities used for the Boltzmann analysis are those published by Lawler et al (2010 J. Phys. B: At. Mol. Opt. Phys. 43 085701). Comparisons of branching ratios and transition probabilities for lines common to the two spectra provide important self-consistency checks and test for the presence of self-absorption effects. Estimated 1σ uncertainties for our transition probability results range from 10% to 18%.

Quantum Dynamics Scattering Study of AB+CDE Reactions: A Seven Dimensional Treatment for the H2+C2H Reaction

NASA Technical Reports Server (NTRS)

Wang, Dunyou

2003-01-01

A time-dependent wave-packet approach is presented for the quantum dynamics study of the AB+CDE reaction system for zero total angular momentum. A seven-degree-of-freedom calculation is employed to study the chemical reaction of H2+C2H yields H + C2H2 by treating C2H as a linear molecule. Initial state selected reaction probabilities are presented for various initial ro-vibrational states. This study shows that vibrational excitation of H2 enhances the reaction probability, whereas the excitation of C2H has only a small effect on the reactivity. An integral cross section is also reported for the initial ground states of H2 and C2H. The theoretical and experimental results agree with each other very well when the calculated seven dimensional results are adjusted to account for the lower transition state barrier heights found in recent ab initio calculations.

Ab initio quantum mechanical calculation of the reaction probability for the Cl-+PH2Cl→ClPH2+Cl- reaction

NASA Astrophysics Data System (ADS)

Farahani, Pooria; Lundberg, Marcus; Karlsson, Hans O.

2013-11-01

The SN2 substitution reactions at phosphorus play a key role in organic and biological processes. Quantum molecular dynamics simulations have been performed to study the prototype reaction Cl-+PH2Cl→ClPH2+Cl-, using one and two-dimensional models. A potential energy surface, showing an energy well for a transition complex, was generated using ab initio electronic structure calculations. The one-dimensional model is essentially reflection free, whereas the more realistic two-dimensional model displays involved resonance structures in the reaction probability. The reaction rate is almost two orders of magnitude smaller for the two-dimensional compared to the one-dimensional model. Energetic errors in the potential energy surface is estimated to affect the rate by only a factor of two. This shows that for these types of reactions it is more important to increase the dimensionality of the modeling than to increase the accuracy of the electronic structure calculation.

Projected Shell Model Description of Positive Parity Band of 130Pr Nucleus

NASA Astrophysics Data System (ADS)

Singh, Suram; Kumar, Amit; Singh, Dhanvir; Sharma, Chetan; Bharti, Arun; Bhat, G. H.; Sheikh, J. A.

2018-02-01

Theoretical investigation of positive parity yrast band of odd-odd 130Pr nucleus is performed by applying the projected shell model. The present study is undertaken to investigate and verify the very recently observed side band in 130Pr theoretically in terms of quasi-particle (qp) configuration. From the analysis of band diagram, the yrast as well as side band are found to arise from two-qp configuration πh 11/2 ⊗ νh 11/2. The present calculations are viewed to have qualitatively reproduced the known experimental data for yrast states, transition energies, and B( M1) / B( E2) ratios of this nucleus. The recently observed positive parity side band is also reproduced by the present calculations. The energy states of the side band are predicted up to spin 25+, which is far above the known experimental spin of 18+ and this could serve as a motivational factor for future experiments. In addition, the reduced transition probability B( E2) for interband transitions has also been calculated for the first time in projected shell model, which would serve as an encouragement for other research groups in the future.

Initial high anti-emetic efficacy of granisetron with dexamethasone is not maintained over repeated cycles.

PubMed Central

de Wit, R.; van den Berg, H.; Burghouts, J.; Nortier, J.; Slee, P.; Rodenburg, C.; Keizer, J.; Fonteyn, M.; Verweij, J.; Wils, J.

1998-01-01

We have reported previously that the anti-emetic efficacy of single agent 5HT3 antagonists is not maintained when analysed with the measurement of cumulative probabilities. Presently, the most effective anti-emetic regimen is a combination of a 5HT3 antagonist plus dexamethasone. We, therefore, assessed the sustainment of efficacy of such a combination in 125 patients, scheduled to receive cisplatin > or = 70 mg m(-2) either alone or in combination with other cytotoxic drugs. Anti-emetic therapy was initiated with 10 mg of dexamethasone and 3 mg of granisetron intravenously, before cisplatin. On days 1-6, patients received 8 mg of dexamethasone and 1 mg of granisetron twice daily by oral administration. Protection was assessed during all cycles and calculated based on cumulative probability analyses using the method of Kaplan-Meier and a model for transitional probabilities. Irrespective of the type of analysis used, the anti-emetic efficacy of granisetron/dexamethasone decreased over cycles. The initial complete acute emesis protection rate of 66% decreased to 30% according to the method of Kaplan-Meier and to 39% using the model for transitional probabilities. For delayed emesis, the initial complete protection rate of 52% decreased to 21% (Kaplan-Meier) and to 43% (transitional probabilities). In addition, we observed that protection failure in the delayed emesis period adversely influenced the acute emesis protection in the next cycle. We conclude that the anti-emetic efficacy of a 5HT3 antagonist plus dexamethasone is not maintained over multiple cycles of highly emetogenic chemotherapy, and that the acute emesis protection is adversely influenced by protection failure in the delayed emesis phase. PMID:9652766

Photoinduced dynamics to photoluminescence in Ln3+ (Ln = Ce, Pr) doped β-NaYF4 nanocrystals computed in basis of non-collinear spin DFT with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Han, Yulun; Vogel, Dayton J.; Inerbaev, Talgat M.; May, P. Stanley; Berry, Mary T.; Kilin, Dmitri S.

2018-03-01

In this work, non-collinear spin DFT + U approaches with spin-orbit coupling (SOC) are applied to Ln3+ doped β-NaYF4 (Ln = Ce, Pr) nanocrystals in Vienna ab initio Simulation Package taking into account unpaired spin configurations using the Perdew-Burke-Ernzerhof functional in a plane wave basis set. The calculated absorption spectra from non-collinear spin DFT + U approaches are compared with that from spin-polarised DFT + U approaches. The spectral difference indicates the importance of spin-flip transitions of Ln3+ ions. Suite of codes for nonadiabatic dynamics has been developed for 2-component spinor orbitals. On-the-fly nonadiabatic coupling calculations provide transition probabilities facilitated by nuclear motion. Relaxation rates of electrons and holes are calculated using Redfield theory in the reduced density matrix formalism cast in the basis of non-collinear spin DFT + U with SOC. The emission spectra are calculated using the time-integrated method along the excited state trajectories based on nonadiabatic couplings.

Characterization of emission properties of Er3+ ions in TeO2-CdF2-WO3 glasses.

PubMed

Bilir, G; Mustafaoglu, N; Ozen, G; DiBartolo, B

2011-12-01

TeO(2)-CdF(2)-WO(3) glasses with various compositions and Er(3+) concentrations were prepared by conventional melting method. Their optical properties were studied by measuring the absorption, luminescence spectra and the decay patterns at room temperature. From the optical absorption spectra the Judd-Ofelt parameters (Ω(t)), transition probabilities, branching ratios of various transitions, and radiative lifetimes were calculated. The absorption and emission cross-section spectra of the (4)I(15/2) to (4)I(13/2) transition of erbium were determined. Emission quantum efficiencies and the average critical distance R(0) which provides a measure for the strength of cross relaxation were determined. Copyright © 2011 Elsevier B.V. All rights reserved.

Cross sections and rate coefficients for excitation of Δn = 1 transitions in Li-like ions with 6 < Z < 42.

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.; Kato, T.

Excitation cross sections and rate coefficients by electron impact were calculated for the 1s22s - 1s2s2p, 1s22s - 1s2s2 and 1s22s - 1s2p2 transitions of the Li-like ions (C IV, N V, O VI, Ne VIII, Mg X, Al XI, Si XII, S XIV, Ar XVI, Ca XVIII, Ti XX, Fe XXIV, Ni XXVI, Zn XXVIII, Ge XXX, Se XXXII, Kr XXXIIV and Mo XXXX) by a Coulomb-Born approximation with exchange and including relativistic effects and configuration interactions. Level energies, mixing coefficients and transition wavelengths and probabilities were also computed.

Isospin degree of freedom in even-even 68-76Ge and 62-70Zn isotopes

NASA Astrophysics Data System (ADS)

Jalili Majarshin, A.

2018-01-01

The introduction of isotopic spin is significant in light nuclei as Ge and Zn isotopes in order to take into account isospin effects on energy spectra. Dynamical symmetries in spherical, γ-soft limits and transition in the interacting boson model IBM-3 are analyzed. Analytic expressions and exact eigenenergies, electromagnetic transitions probabilities are obtained for the transition between spherical and γ-soft shapes by using the Bethe ansatz within an infinite-dimensional Lie algebra in light mass nuclei. The corresponding algebraic structure and reduction chain are studied in IBM-3. For examples, the nuclear structure of the 68-76Ge and 62-70Zn isotopes is calculated in IBM-3 and compared with experimental results.

Heat-Pipe Bismuth Laser; Examination of Laser Action at 4722A in Bismuth Vapor

DTIC Science & Technology

1976-11-01

11, 15(1975). of Type 6p 3 -6p 2 7s in the Bismuth Atomic Spectrum in Intermediate Coupling," Acta Physica Polonica A47, 231(1975). 19. A.N. Nesmeyanov...Calculated Transit n Probabilities and Lifetimes for the First Excited Configuration np (n+l)s in the Neutral As, Sb and Bi Atoms, " Physica Scripta

Zero-point Energy is Needed in Molecular Dynamics Calculations to Access the Saddle Point for H+HCN→H2CN* and cis/trans-HCNH* on a New Potential Energy Surface.

PubMed

Wang, Xiaohong; Bowman, Joel M

2013-02-12

We calculate the probabilities for the association reactions H+HCN→H2CN* and cis/trans-HCNH*, using quasiclassical trajectory (QCT) and classical trajectory (CT) calculations, on a new global ab initio potential energy surface (PES) for H2CN including the reaction channels. The surface is a linear least-squares fit of roughly 60 000 CCSD(T)-F12b/aug-cc-pVDZ electronic energies, using a permutationally invariant basis with Morse-type variables. The reaction probabilities are obtained at a variety of collision energies and impact parameters. Large differences in the threshold energies in the two types of dynamics calculations are traced to the absence of zero-point energy in the CT calculations. We argue that the QCT threshold energy is the realistic one. In addition, trajectories find a direct pathway to trans-HCNH, even though there is no obvious transition state (TS) for this pathway. Instead the saddle point (SP) for the addition to cis-HCNH is evidently also the TS for direct formation of trans-HCNH.

High density bit transition requirements versus the effects on BCH error correcting code. [bit synchronization

NASA Technical Reports Server (NTRS)

Ingels, F. M.; Schoggen, W. O.

1982-01-01

The design to achieve the required bit transition density for the Space Shuttle high rate multiplexes (HRM) data stream of the Space Laboratory Vehicle is reviewed. It contained a recommended circuit approach, specified the pseudo random (PN) sequence to be used and detailed the properties of the sequence. Calculations showing the probability of failing to meet the required transition density were included. A computer simulation of the data stream and PN cover sequence was provided. All worst case situations were simulated and the bit transition density exceeded that required. The Preliminary Design Review and the critical Design Review are documented. The Cover Sequence Generator (CSG) Encoder/Decoder design was constructed and demonstrated. The demonstrations were successful. All HRM and HRDM units incorporate the CSG encoder or CSG decoder as appropriate.

Snake River fall Chinook salmon life history investigations, annual report 2008

USGS Publications Warehouse

Tiffan, Kenneth F.; Connor, William P.; Bellgraph, Brian J.; Buchanan, Rebecca A.

2010-01-01

In 2009, we used radio and acoustic telemetry to evaluate the migratory behavior, survival, mortality, and delay of subyearling fall Chinook salmon in the Clearwater River and Lower Granite Reservoir. We released a total of 1,000 tagged hatchery subyearlings at Cherry Lane on the Clearwater River in mid August and we monitored them as they passed downstream through various river and reservoir reaches. Survival through the free-flowing river was high (>0.85) for both radio- and acoustic-tagged fish, but dropped substantially as fish delayed in the Transition Zone and Confluence areas. Estimates of the joint probability of migration and survival through the Transition Zone and Confluence reaches combined were similar for both radio- and acoustic-tagged fish, and ranged from about 0.30 to 0.35. Estimates of the joint probability of delaying and surviving in the combined Transition Zone and Confluence peaked at the beginning of the study, ranging from 0.323 ( SE =NA; radio-telemetry data) to 0.466 ( SE =0.024; acoustic-telemetry data), and then steadily declined throughout the remainder of the study. By the end of October, no live tagged juvenile salmon were detected in either the Transition Zone or the Confluence. As estimates of the probability of delay decreased throughout the study, estimates of the probability of mortality increased, as evidenced by the survival estimate of 0.650 ( SE =0.025) at the end of October (acoustic-telemetry data). Few fish were detected at Lower Granite Dam during our study and even fewer fish passed the dam before PIT-tag monitoring ended at the end of October. Five acoustic-tagged fish passed Lower Granite Dam in October and 12 passed the dam in November based on detections in the dam tailrace; however, too few detections were available to calculate the joint probabilities of migrating and surviving or delaying and surviving. Estimates of the joint probability of migrating and surviving through the reservoir was less than 0.2 based on acoustic-tagged fish. Migration rates of tagged fish were highest in the free-flowing river (median range = 36 to 43 km/d) but were generally less than 6 km/d in the reservoir reaches. In particular, median migration rates of radio-tagged fish through the Transition Zone and Confluence were 3.4 and 5.2 km/d, respectively. Median migration rate for acoustic-tagged fish though the Transition Zone and Confluence combined was 1 km/d.

Quantum Spectra and Dynamics

NASA Astrophysics Data System (ADS)

Arce, Julio Cesar

1992-01-01

This work focuses on time-dependent quantum theory and methods for the study of the spectra and dynamics of atomic and molecular systems. Specifically, we have addressed the following two problems: (i) Development of a time-dependent spectral method for the construction of spectra of simple quantum systems--This includes the calculation of eigenenergies, the construction of bound and continuum eigenfunctions, and the calculation of photo cross-sections. Computational applications include the quadrupole photoabsorption spectra and dissociation cross-sections of molecular hydrogen from various vibrational states in its ground electronic potential -energy curve. This method is seen to provide an advantageous alternative, both from the computational and conceptual point of view, to existing standard methods. (ii) Explicit time-dependent formulation of photoabsorption processes --Analytical solutions of the time-dependent Schrodinger equation are constructed and employed for the calculation of probability densities, momentum distributions, fluxes, transition rates, expectation values and correlation functions. These quantities are seen to establish the link between the dynamics and the calculated, or measured, spectra and cross-sections, and to clarify the dynamical nature of the excitation, transition and ejection processes. Numerical calculations on atomic and molecular hydrogen corroborate and complement the previous results, allowing the identification of different regimes during the photoabsorption process.

Density functional calculations of multiphonon capture cross sections at defects in semiconductors

NASA Astrophysics Data System (ADS)

Barmparis, Georgios D.; Puzyrev, Yevgeniy S.; Zhang, X.-G.; Pantelides, Sokrates T.

2014-03-01

The theory of electron capture cross sections by multiphonon processes in semiconductors has a long and controversial history. Here we present a comprehensive theory and describe its implementation for realistic calculations. The Born-Oppenheimer and the Frank-Condon approximations are employed. The transition probability of an incoming electron is written as a product of an instantaneous electronic transition in the initial defect configuration and the line shape function (LSF) that describes the multiphonon processes that lead to lattice relaxation. The electronic matrix elements are calculated using the Projector Augmented Wave (PAW) method which yields the true wave functions while still employing a plane-wave basis. The LSF is calculated by employing a Monte Carlo method and the real phonon modes of the defect, calculated using density functional theory in the PAW scheme. Initial results of the capture cross section for a prototype system, namely a triply hydrogenated vacancy in Si are presented. The results are relevant for modeling device degradation by hot electron effects. This work is supported in part by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and by the LDRD program at ORNL.

No Timing Variations Observed in Third Transit of Snow-line Exoplanet Kepler-421b

NASA Astrophysics Data System (ADS)

Dalba, Paul A.; Muirhead, Philip S.

2016-07-01

We observed Kepler-421 during the anticipated third transit of the snow-line exoplanet Kepler-421b in order to constrain the existence and extent of transit timing variations (TTVs). Previously, the Kepler spacecraft only observed two transits of Kepler-421b, leaving the planet’s transit ephemeris unconstrained. Our visible light, time-series observations from the 4.3 m Discovery Channel Telescope were designed to capture pre-transit baseline and the partial transit of Kepler-421b, barring significant TTVs. We use the light curves to assess the probabilities of various transit models using both the posterior odds ratio and the Bayesian Information Criterion, and find that a transit model with no TTVs is favored to 3.6σ confidence. These observations suggest that Kepler-421b is either alone in its system or is only experiencing minor dynamic interactions with an unseen companion. With the Kepler-421b ephemeris constrained, we calculate future transit times and discuss the opportunity to characterize the atmosphere of this cold, long-period exoplanet via transmission spectroscopy. Our investigation emphasizes the difficulties associated with observing long-period exoplanet transits and the consequences that arise from failing to refine transit ephemerides.

Application of the string method to the study of critical nuclei in capillary condensation.

PubMed

Qiu, Chunyin; Qian, Tiezheng; Ren, Weiqing

2008-10-21

We adopt a continuum description for liquid-vapor phase transition in the framework of mean-field theory and use the string method to numerically investigate the critical nuclei for capillary condensation in a slit pore. This numerical approach allows us to determine the critical nuclei corresponding to saddle points of the grand potential function in which the chemical potential is given in the beginning. The string method locates the minimal energy path (MEP), which is the most probable transition pathway connecting two metastable/stable states in configuration space. From the MEP, the saddle point is determined and the corresponding energy barrier also obtained (for grand potential). Moreover, the MEP shows how the new phase (liquid) grows out of the old phase (vapor) along the most probable transition pathway, from the birth of a critical nucleus to its consequent expansion. Our calculations run from partial wetting to complete wetting with a variable strength of attractive wall potential. In the latter case, the string method presents a unified way for computing the critical nuclei, from film formation at solid surface to bulk condensation via liquid bridge. The present application of the string method to the numerical study of capillary condensation shows the great power of this method in evaluating the critical nuclei in various liquid-vapor phase transitions.

Do recent observations of very large electromagnetic dissociation cross sections signify a transition towards non-perturbative QED?

NASA Technical Reports Server (NTRS)

Norbury, John W.

1992-01-01

The very large electromagnetic dissociation (EMD) cross section recently observed by Hill, Wohn, Schwellenbach, and Smith do not agree with Weizsacker-Williams (WW) theory or any simple modification thereof. Calculations are presented for the reaction probabilities for this experiment and the entire single and double nucleon removal EMD data set. It is found that for those few reactions where theory and experiment disagree, the probabilities are exceptionally large. This indicates that WW theory is not valid for these reactions and that one must consider higher order corrections and perhaps even a non-perturbative approach to quantum electrodynamics (QED).

Characteristics of a Two-Dimensional Hydrogenlike Atom

NASA Astrophysics Data System (ADS)

Skobelev, V. V.

2018-06-01

Using the customary and well-known representation of the radiation probability of a hydrogen-like atom in the three-dimensional case, a general expression for the probability of single-photon emission of a twodimensional atom has been obtained along with an expression for the particular case of the transition from the first excited state to the ground state, in the latter case in comparison with corresponding expressions for the three-dimensional atom and the one-dimensional atom. Arguments are presented in support of the claim that this method of calculation gives a value of the probability that is identical to the value given by exact methods of QED extended to the subspace {0, 1, 2}. Relativistic corrections (Zα)4 to the usual Schrödinger value of the energy ( (Zα)2) are also discussed.

Spirometric variability in smokers: transitions in COPD diagnosis in a five-year longitudinal study.

PubMed

Sood, Akshay; Petersen, Hans; Qualls, Clifford; Meek, Paula M; Vazquez-Guillamet, Rodrigo; Celli, Bartolome R; Tesfaigzi, Yohannes

2016-11-10

Spirometrically-defined chronic obstructive pulmonary disease (COPD) is considered progressive but its natural history is inadequately studied. We hypothesized that spirometrically-defined COPD states could undergo beneficial transitions. Participants in the Lovelace Smokers' Cohort (n = 1553), primarily women, were longitudinally studied over 5 years. Spirometric states included normal postbronchodilator spirometry, COPD Stage I, Unclassified state, and COPD Stage II+, as defined by GOLD guidelines. Beneficial transitions included either a decrease in disease severity, including resolution of spirometric abnormality, or maintenance of non-diseased state. 'All smokers' (n = 1553) and subgroups with normal and abnormal spirometry at baseline (n = 956 and 597 respectively) were separately analyzed. Markov-like model of transition probabilities over an average follow-up period of 5 years were calculated. Among 'all smokers', COPD Stage I, Unclassified, and COPD Stage II+ states were associated with probabilities of 16, 39, and 22 % respectively for beneficial transitions, and of 16, 35, and 4 % respectively for resolution. Beneficial transitions were more common for new-onset disease than for pre-existing disease (p < 0.001). Beneficial transitions were less common among older smokers, men, or those with bronchial hyperresponsiveness but more common among Hispanics and smokers with excess weight. This observational study of ever smokers, shows that spirometrically-defined COPD states, may not be uniformly progressive and can improve or resolve over time. The implication of these findings is that the spirometric diagnosis of COPD can be unstable. Furthermore, COPD may have a pre-disease state when interventions might help reverse or change its natural history. NA.

The high-pressure electronic structure of magnesiowustite (Mg, Fe)O: applications to the physics and chemistry of the lower mantle

USGS Publications Warehouse

Sherman, David M.

1991-01-01

The electronic structure of magnesiowustite is investigated using self-consistent field X?? scattered wave (SCF-X??-SW) molecular orbital calculations on (FeO6)10- and (FeMg12O14)2- clusters. Calculated one-electron transition energies are used to interpret the optical spectrum of (Mg, Fe)O. The results are applied to the electrical and thermal conductivity of the lower mantle. This is especially true if Fe2+ adopts the low-spin configuration. The geophysically significant properties of (Fe, Mg)O probably result from defect Fe3+. -from Author

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

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-12-01

Aims: A simplified model is derived for estimating rate coefficients for inelastic processes in low-energy collisions of heavy particles with hydrogen, in particular, the rate coefficients with high and moderate values. Such processes are important for non-local thermodynamic equilibrium modeling of cool stellar atmospheres. Methods: The derived method is based on the asymptotic approach for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: It is found that the rate coefficients are expressed via statistical probabilities and reduced rate coefficients. It is shown that the reduced rate coefficients for neutralization and ion-pair formation processes depend on single electronic bound energies of an atomic particle, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to barium-hydrogen ionic collisions. For the first time, rate coefficients are evaluated for inelastic processes in Ba+ + H and Ba2+ + H- collisions for all transitions between the states from the ground and up to and including the ionic state. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/608/A33

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

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-10-01

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

Spin-dependent evolution of collectivity in 112Te

NASA Astrophysics Data System (ADS)

Doncel, M.; Bäck, T.; Qi, C.; Cullen, D. M.; Hodge, D.; Cederwall, B.; Taylor, M. J.; Procter, M.; Giles, M.; Auranen, K.; Grahn, T.; Greenlees, P. T.; Jakobsson, U.; Julin, R.; Juutinen, S.; HerzáÅ, A.; Konki, J.; Pakarinen, J.; Partanen, J.; Peura, P.; Rahkila, P.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Sorri, J.; Stolze, S.; Uusitalo, J.

2017-11-01

The evolution of collectivity with spin along the yrast line in the neutron-deficient nucleus 112Te has been studied by measuring the reduced transition probability of excited states in the yrast band. In particular, the lifetimes of the 4+ and 6+ excited states have been determined by using the recoil distance Doppler-shift method. The results are discussed using both large-scale shell-model and total Routhian surface calculations.

Transition probabilities in neutron-rich Se,8280 and the role of the ν g9 /2 orbital

NASA Astrophysics Data System (ADS)

Litzinger, J.; Blazhev, A.; Dewald, A.; Didierjean, F.; Duchêne, G.; Fransen, C.; Lozeva, R.; Verney, D.; de Angelis, G.; Bazzacco, D.; Birkenbach, B.; Bottoni, S.; Bracco, A.; Braunroth, T.; Cederwall, B.; Corradi, L.; Crespi, F. C. L.; Désesquelles, P.; Eberth, J.; Ellinger, E.; Farnea, E.; Fioretto, E.; Gernhäuser, R.; Goasduff, A.; Görgen, A.; Gottardo, A.; Grebosz, J.; Hackstein, M.; Hess, H.; Ibrahim, F.; Jolie, J.; Jungclaus, A.; Kolos, K.; Korten, W.; Leoni, S.; Lunardi, S.; Maj, A.; Menegazzo, R.; Mengoni, D.; Michelagnoli, C.; Mijatovic, T.; Million, B.; Möller, O.; Modamio, V.; Montagnoli, G.; Montanari, D.; Morales, A. I.; Napoli, D. R.; Niikura, M.; Pietralla, N.; Pollarolo, G.; Pullia, A.; Quintana, B.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Scarlassara, F.; Söderström, P.-A.; Stefanini, A. M.; Stezowski, O.; Szilner, S.; Theisen, Ch.; Valiente-Dobón, J. J.; Vandone, V.; Vogt, A.

2018-04-01

Transition probabilities of intermediate-spin yrast and non-yrast excitations in Se,8280 were investigated in a recoil distance Doppler-shift (RDDS) experiment performed at the Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro. The Cologne Plunger device for deep inelastic scattering was used for the RDDS technique and was combined with the AGATA Demonstrator array for the γ -ray detection and coupled to the PRISMA magnetic spectrometer for an event-by-event particle identification. In 80Se, the level lifetimes of the yrast (61+) and (81+) states and of a non-yrast band feeding the yrast 41+ state are determined. A spin and parity assignment of the head of this sideband is discussed based on the experimental results and supported by large-scale shell-model calculations. In 82Se, the level lifetimes of the yrast 61+ state and the yrare 42+ state and lifetime limits of the yrast (101+) state and of the 51- state are determined. Although the experimental results contain large uncertainties, they are interpreted with care in terms of large-scale shell-model calculations using the effective interactions JUN45 and jj44b. The excited states' wave functions are investigated and discussed with respect to the role of the neutron g9 /2 orbital.

Stochastic charging of dust grains in planetary rings: Diffusion rates and their effects on Lorentz resonances

NASA Technical Reports Server (NTRS)

Schaffer, L.; Burns, J. A.

1995-01-01

Dust grains in planetary rings acquire stochastically fluctuating electric charges as they orbit through any corotating magnetospheric plasma. Here we investigate the nature of this stochastic charging and calculate its effect on the Lorentz resonance (LR). First we model grain charging as a Markov process, where the transition probabilities are identified as the ensemble-averaged charging fluxes due to plasma pickup and photoemission. We determine the distribution function P(t;N), giving the probability that a grain has N excess charges at time t. The autocorrelation function tau(sub q) for the strochastic charge process can be approximated by a Fokker-Planck treatment of the evolution equations for P(t; N). We calculate the mean square response to the stochastic fluctuations in the Lorentz force. We find that transport in phase space is very small compared to the resonant increase in amplitudes due to the mean charge, over the timescale that the oscillator is resonantly pumped up. Therefore the stochastic charge variations cannot break the resonant interaction; locally, the Lorentz resonance is a robust mechanism for the shaping of etheral dust ring systems. Slightly stronger bounds on plasma parameters are required when we consider the longer transit times between Lorentz resonances.

Fourth-Order Vibrational Transition State Theory and Chemical Kinetics

NASA Astrophysics Data System (ADS)

Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.

2015-06-01

Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the ``gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.

Electron self-energy in a homogeneous magnetic field

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

Gepraegs, R.; Riffert, H.; Herold, H.

1994-05-15

A relativistic calculation of the electron self-energy in a strong homogeneous magnetic field is presented, and the final expressions are calculated numerically for the Landau levels [ital N]=0,1,2,3 and both spin projections ([sigma]=[plus minus]1). For a given [ital N][gt]0 the energy of the spin-up state ([sigma]=+1) increases monotonically, but the spin-down ([sigma]=[minus]1) energy is negative for small fields, shows a minimum, and then increases for large fields; a crossing of levels appears for [ital N][gt]0. The total decay rates for these states are also obtained, as well as the spin-flip transition probability for ([ital N]=1, [sigma]=+1)[r arrow]([ital N]=1, [sigma]=[minus]1). Itmore » turns out that this transition rate is extremely small compared to the usual cyclotron emission rates.« less

Atomic structure calculations for F-like tungsten

NASA Astrophysics Data System (ADS)

Sunny, Aggarwal

2014-09-01

Energy levels, wavefunction compositions and lifetimes have been computed for all levels of 1s22s22p5, 1s22s2p6, 1s22s22p43s, 1s22s22p43p, and 1s22s22p43d configurations in highly charged F-like tungsten ion. The multiconfigurational Dirac—Fock method (MCDF) is adopted to generate the wavefunctions. We have also presented the transition wavelengths, oscillator strengths, transition probabilities, and line strengths for the electric dipole (E1) and magnetic quadrupole (M2) transition from the 1s22s22p5 ground configuration. We have performed parallel calculations with the flexible atomic code (FAC) for comparing the atomic data. The reliability of present data is assessed by comparison with other theoretical and experimental data available in the literature. Good agreement is found between our results and those obtained using different approaches confirm the quality of our results. Additionally, we have predicted some new atomic data for F-like W that were not available so far and may be important for plasma diagnostic analysis in fusion plasma.

Judd-Ofelt analysis and spectral properties of Dy3+ ions doped niobium containing tellurium calcium zinc borate glasses

NASA Astrophysics Data System (ADS)

Ravi, O.; Reddy, C. Madhukar; Reddy, B. Sudhakar; Deva Prasad Raju, B.

2014-02-01

Niobium containing tellurium calcium zinc borate (TCZNB) glasses doped with different concentrations of Dy3+ ions were prepared by the melt quenching method and their optical properties have been studied. The Judd-Ofelt (J-O) intensity parameters Ωt (t=2, 4 and 6) were calculated using the least square fit method. Based on the magnitude of Ω2 parameter the hypersensitivity of 6H15/2→6F11/2 has also been discussed. From the evaluated J-O intensity parameters as well as from the emission and lifetime measurements, radiative transition properties such as radiative transition probability rates and branching ratios were calculated for 4F9/2 excited level. It is found that for Dy3+ ion, the transition 4F9/2→6H13/2 shows highest emission cross-section at 1.0 mol% TCZNB glass matrix. From the visible luminescence spectra, yellow to blue (Y/B) intensity ratios and chromaticity color coordinates were also estimated. The TCZNB glasses exhibit good luminescence properties and are suitable for generation of white light.

Markov chain model for demersal fish catch analysis in Indonesia

NASA Astrophysics Data System (ADS)

Firdaniza; Gusriani, N.

2018-03-01

As an archipelagic country, Indonesia has considerable potential fishery resources. One of the fish resources that has high economic value is demersal fish. Demersal fish is a fish with a habitat in the muddy seabed. Demersal fish scattered throughout the Indonesian seas. Demersal fish production in each Indonesia’s Fisheries Management Area (FMA) varies each year. In this paper we have discussed the Markov chain model for demersal fish yield analysis throughout all Indonesia’s Fisheries Management Area. Data of demersal fish catch in every FMA in 2005-2014 was obtained from Directorate of Capture Fisheries. From this data a transition probability matrix is determined by the number of transitions from the catch that lie below the median or above the median. The Markov chain model of demersal fish catch data was an ergodic Markov chain model, so that the limiting probability of the Markov chain model can be determined. The predictive value of demersal fishing yields was obtained by calculating the combination of limiting probability with average catch results below the median and above the median. The results showed that for 2018 and long-term demersal fishing results in most of FMA were below the median value.

Fine structure transitions in Fe XIV

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.

2013-07-01

Results are reported for Fe XIV energy levels and transitions obtained from the ab initio relativistic Breit-Pauli R-matrix (BPRM) method. BPRM method developed under the Iron Project is capable of calculating very large number of fine structure energy levels and corresponding transitions. However, unlike in the atomic structure calculations, where levels are identified spectroscopically based on the leading percentage contributions of configurations, BPRM is incapable of such identification of the levels and hence the transitions. The main reason for it is that the percentage contributions can not be determined exactly from the large number of channels in the R-matrix space. The present report describes an identification method that uses considerations of quantum defects of channels, contributions of channel from outer regions, Hund's rule, and angular momenta algebra for addition and completeness of fine structure components. The present calculations are carried out using a close coupling wave function expansion that included 26 core excitations from configurations 2s22p63s2, 2s22p63s3p,2s22p63p2,2s22p63s3d, and 2s22p63p3d. A total of 1002 fine structure levels with n ⩽ 10, l⩽9, and 0.5 ⩽J⩽ 9.5 with even and odd parities and the corresponding 130,520 electric dipole allowed (E1) fine structure transitions, a most complete set for astrophysical modelings of spectral analysis and opacities, is presented. Large number of new energy levels are found and identified. The energies agree very well, mostly in less than 1% with the highest being 1.9%, with the 68 observed fine structure levels. While the high lying levels may have some uncertainty, an overall accuracy of energy levels should be within 10%. BPRM transitions have been benchmarked with the existing most accurate calculated transition probabilities with very good agreement for most cases. Based on the accuracy of the method and comparisons, most of the transitions can be rated with A (⩽10%) to C (⩽30%).

Full-profile fitting of emission spectrum to determine transition intensity parameters of Yb3 +:GdTaO4

NASA Astrophysics Data System (ADS)

Zhang, Qingli; Sun, Guihua; Ning, Kaijie; Shi, Chaoshu; Liu, Wenpeng; Sun, Dunlu; Yin, Shaotang

2016-11-01

The Judd-Ofelt theoretic transition intensity parameters of luminescence of rare-earth ions in solids are important for the quantitative analysis of luminescence. It is very difficult to determine them with emission or absorption spectra for a long time. A “full profile fitting” method to obtain in solids with its emission spectrum is proposed, in which the contribution of a radiative transition to the emission spectrum is expressed as the product of transition probability, line profile function, instrument measurement constant and transition center frequency or wavelength, and the whole experimental emission spectrum is the sum of all transitions. In this way, the emission spectrum is expressed as a function with the independent variables intensity parameters , full width at half maximum (FWHM) of profile functions, instrument measurement constant, wavelength, and the Huang-Rhys factor S if the lattice vibronic peaks in the emission spectrum should be considered. The ratios of the experimental to the calculated energy lifetimes are incorporated into the fitting function to remove the arbitrariness during fitting and other parameters. Employing this method obviates measurement of the absolute emission spectrum intensity. It also eliminates dependence upon the number of emission transition peaks. Every experiment point in emission spectra, which usually have at least hundreds of data points, is the function with variables and other parameters, so it is usually viable to determine and other parameters using a large number of experimental values. We applied this method to determine twenty-five of Yb3+ in GdTaO4. The calculated and experiment energy lifetimes, experimental and calculated emission spectrum are very consistent, indicating that it is viable to obtain the transition intensity parameters of rare-earth ions in solids by a full profile fitting to the ions’ emission spectrum. The calculated emission cross sections of Yb3+:GdTaO4 also indicate that the F-L formula gives larger values in the wavelength range with reabsorption. Project supported by the National Natural Science Foundation of China (Grant Nos. 51172236, 51502292, 51272254, 51102239, 61205173, and 61405206).

Exact transition probabilities in a 6-state Landau–Zener system with path interference

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

Sinitsyn, Nikolai A.

2015-04-23

In this paper, we identify a nontrivial multistate Landau–Zener (LZ) model for which transition probabilities between any pair of diabatic states can be determined analytically and exactly. In the semiclassical picture, this model features the possibility of interference of different trajectories that connect the same initial and final states. Hence, transition probabilities are generally not described by the incoherent successive application of the LZ formula. Finally, we discuss reasons for integrability of this system and provide numerical tests of the suggested expression for the transition probability matrix.

Transition probabilities of health states for workers in Malaysia using a Markov chain model

NASA Astrophysics Data System (ADS)

Samsuddin, Shamshimah; Ismail, Noriszura

2017-04-01

The aim of our study is to estimate the transition probabilities of health states for workers in Malaysia who contribute to the Employment Injury Scheme under the Social Security Organization Malaysia using the Markov chain model. Our study uses four states of health (active, temporary disability, permanent disability and death) based on the data collected from the longitudinal studies of workers in Malaysia for 5 years. The transition probabilities vary by health state, age and gender. The results show that men employees are more likely to have higher transition probabilities to any health state compared to women employees. The transition probabilities can be used to predict the future health of workers in terms of a function of current age, gender and health state.

VizieR Online Data Catalog: Energy levels of ionized vanadium (V II) (Saloman+, 2017)

NASA Astrophysics Data System (ADS)

Saloman, E. B.; Kramida, A.

2017-09-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V II, have been compiled. The experimentally derived energy levels belong to the configurations 3d4, 3d3ns (n=4,5,6), 3d3np, and 3d3nd (n=4,5), 3d34f, 3d24s2, and 3d24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Lande g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60)cm-1, corresponding to 14.634(7)eV. This is 130cm-1 higher than the previously recommended value from Iglesias+ (1988, Publ. Inst. Opt. Madrid 47 1). (3 data files).

Rényi entropy of the totally asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Wood, Anthony J.; Blythe, Richard A.; Evans, Martin R.

2017-11-01

The Rényi entropy is a generalisation of the Shannon entropy that is sensitive to the fine details of a probability distribution. We present results for the Rényi entropy of the totally asymmetric exclusion process (TASEP). We calculate explicitly an entropy whereby the squares of configuration probabilities are summed, using the matrix product formalism to map the problem to one involving a six direction lattice walk in the upper quarter plane. We derive the generating function across the whole phase diagram, using an obstinate kernel method. This gives the leading behaviour of the Rényi entropy and corrections in all phases of the TASEP. The leading behaviour is given by the result for a Bernoulli measure and we conjecture that this holds for all Rényi entropies. Within the maximal current phase the correction to the leading behaviour is logarithmic in the system size. Finally, we remark upon a special property of equilibrium systems whereby discontinuities in the Rényi entropy arise away from phase transitions, which we refer to as secondary transitions. We find no such secondary transition for this nonequilibrium system, supporting the notion that these are specific to equilibrium cases.

Wang-Landau density of states based study of the folding-unfolding transition in the mini-protein Trp-cage (TC5b)

NASA Astrophysics Data System (ADS)

Singh, Priya; Sarkar, Subir K.; Bandyopadhyay, Pradipta

2014-07-01

We present the results of a high-statistics equilibrium study of the folding/unfolding transition for the 20-residue mini-protein Trp-cage (TC5b) in water. The ECEPP/3 force field is used and the interaction with water is treated by a solvent-accessible surface area method. A Wang-Landau type simulation is used to calculate the density of states and the conditional probabilities for the various values of the radius of gyration and the number of native contacts at fixed values of energy—along with a systematic check on their convergence. All thermodynamic quantities of interest are calculated from this information. The folding-unfolding transition corresponds to a peak in the temperature dependence of the computed specific heat. This is corroborated further by the structural signatures of folding in the distributions for radius of gyration and the number of native contacts as a function of temperature. The potentials of mean force are also calculated for these variables, both separately and jointly. A local free energy minimum, in addition to the global minimum, is found in a temperature range substantially below the folding temperature. The free energy at this second minimum is approximately 5 kBT higher than the value at the global minimum.

Implementation of real-time energy management strategy based on reinforcement learning for hybrid electric vehicles and simulation validation

PubMed Central

Kong, Zehui; Liu, Teng

2017-01-01

To further improve the fuel economy of series hybrid electric tracked vehicles, a reinforcement learning (RL)-based real-time energy management strategy is developed in this paper. In order to utilize the statistical characteristics of online driving schedule effectively, a recursive algorithm for the transition probability matrix (TPM) of power-request is derived. The reinforcement learning (RL) is applied to calculate and update the control policy at regular time, adapting to the varying driving conditions. A facing-forward powertrain model is built in detail, including the engine-generator model, battery model and vehicle dynamical model. The robustness and adaptability of real-time energy management strategy are validated through the comparison with the stationary control strategy based on initial transition probability matrix (TPM) generated from a long naturalistic driving cycle in the simulation. Results indicate that proposed method has better fuel economy than stationary one and is more effective in real-time control. PMID:28671967

Implementation of real-time energy management strategy based on reinforcement learning for hybrid electric vehicles and simulation validation.

PubMed

Kong, Zehui; Zou, Yuan; Liu, Teng

2017-01-01

To further improve the fuel economy of series hybrid electric tracked vehicles, a reinforcement learning (RL)-based real-time energy management strategy is developed in this paper. In order to utilize the statistical characteristics of online driving schedule effectively, a recursive algorithm for the transition probability matrix (TPM) of power-request is derived. The reinforcement learning (RL) is applied to calculate and update the control policy at regular time, adapting to the varying driving conditions. A facing-forward powertrain model is built in detail, including the engine-generator model, battery model and vehicle dynamical model. The robustness and adaptability of real-time energy management strategy are validated through the comparison with the stationary control strategy based on initial transition probability matrix (TPM) generated from a long naturalistic driving cycle in the simulation. Results indicate that proposed method has better fuel economy than stationary one and is more effective in real-time control.

Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

PubMed

Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

2007-08-16

The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

Polarization effects on quantum levels in InN/GaN quantum wells.

PubMed

Lin, Wei; Li, Shuping; Kang, Junyong

2009-12-02

Polarization effects on quantum states in InN/GaN quantum wells have been investigated by means of ab initio calculation and spectroscopic ellipsometry. Through the position-dependent partial densities of states, our results show that the polarization modified by the strain with different well thickness leads to an asymmetry band bending of the quantum well. The quantum levels are identified via the band structures and their square wave function distributions are analyzed by the partial charge densities. Further theoretical and experimental comparison of the imaginary part of the dielectric function show that the overall transition probability increases under larger polarization fields, which can be attributable to the fact that the excited quantum states of 2h have a greater overlap with 1e states and enhance other hole quantum states in the well by a hybridization. These results would provide a new approach to improve the transition probability and light emission by enhancing the polarization fields in a proper way.

Revised and extended analysis of the eighth spectrum of platinum (Pt VIII)

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

Azarov, Vladimir I., E-mail: vlad_azarov@yahoo.com; Gayasov, Robert R.

2017-05-15

The spectrum of platinum was observed in the 300–2100 Å wavelength region. Grazing and normal incidence VUV spectrographs have been used to record the spectrum. The (5d{sup 3}+5d{sup 2}6s)−5d{sup 2}6p transition array of seven times ionized platinum, Pt VIII, has been investigated. The configurations 5d{sup 3} and 5d{sup 2}6p had been previously studied, and all levels of these configurations (19 and 45 levels, respectively) had been established. The previous analysis was based on 178 classified spectral lines. In the current analysis we have confirmed identification of all previously found levels and all but 10 previously assigned spectral lines, although we havemore » detected a large (up to 35 mÅ) systematic shift in wavelength measurements used in the previous analysis. Based on new wavelength measurements, we have corrected the 5d{sup 3} and 5d{sup 2}6p energy level values (by up to 55 cm{sup −1}) and established for the first time 14 out of 16 theoretically possible 5d{sup 2}6s levels in Pt VIII. The total list of identified lines (including 180 new lines) contains 349 entries. The orthogonal operators technique was used to calculate the level structure and transition probabilities. The energy parameters have been determined by the least squares fit to the observed levels. Calculated transition probability and energy values, as well as LS-compositions obtained from the fitted parameters are presented.« less

Density functional study for crystalline structures and electronic properties of Si1- x Sn x binary alloys

NASA Astrophysics Data System (ADS)

Nagae, Yuki; Kurosawa, Masashi; Shibayama, Shigehisa; Araidai, Masaaki; Sakashita, Mitsuo; Nakatsuka, Osamu; Shiraishi, Kenji; Zaima, Shigeaki

2016-08-01

We have carried out density functional theory (DFT) calculation for Si1- x Sn x alloy and investigated the effect of the displacement of Si and Sn atoms with strain relaxation on the lattice constant and E- k dispersion. We calculated the formation probabilities for all atomic configurations of Si1- x Sn x according to the Boltzmann distribution. The average lattice constant and E- k dispersion were weighted by the formation probability of each configuration of Si1- x Sn x . We estimated the displacement of Si and Sn atoms from the initial tetrahedral site in the Si1- x Sn x unit cell considering structural relaxation under hydrostatic pressure, and we found that the breaking of the degenerated electronic levels of the valence band edge could be caused by the breaking of the tetrahedral symmetry. We also calculated the E- k dispersion of the Si1- x Sn x alloy by the DFT+U method and found that a Sn content above 50% would be required for the indirect-direct transition.

A quarter of a century of job transitions in Germany☆

PubMed Central

Kattenbach, Ralph; Schneidhofer, Thomas M.; Lücke, Janine; Latzke, Markus; Loacker, Bernadette; Schramm, Florian; Mayrhofer, Wolfgang

2014-01-01

By examining trends in intra-organizational and inter-organizational job transition probabilities among professional and managerial employees in Germany, we test the applicability of mainstream career theory to a specific context and challenge its implied change assumption. Drawing on data from the German Socio-Economic Panel (GSOEP), we apply linear probability models to show the influence of time, economic cycle and age on the probability of job transitions between 1984 and 2010. Results indicate a slight negative trend in the frequency of job transitions during the analyzed time span, owing to a pronounced decrease in intra-organizational transitions, which is only partly offset by a comparatively weaker positive trend towards increased inter-organizational transitions. The latter is strongly influenced by fluctuations in the economic cycle. Finally, the probability of job transitions keeps declining steadily through the course of one's working life. In contrast to inter-organizational transitions, however, this age effect for intra-organizational transitions has decreased over time. PMID:24493876

A quarter of a century of job transitions in Germany.

PubMed

Kattenbach, Ralph; Schneidhofer, Thomas M; Lücke, Janine; Latzke, Markus; Loacker, Bernadette; Schramm, Florian; Mayrhofer, Wolfgang

2014-02-01

By examining trends in intra-organizational and inter-organizational job transition probabilities among professional and managerial employees in Germany, we test the applicability of mainstream career theory to a specific context and challenge its implied change assumption. Drawing on data from the German Socio-Economic Panel (GSOEP), we apply linear probability models to show the influence of time, economic cycle and age on the probability of job transitions between 1984 and 2010. Results indicate a slight negative trend in the frequency of job transitions during the analyzed time span, owing to a pronounced decrease in intra-organizational transitions, which is only partly offset by a comparatively weaker positive trend towards increased inter-organizational transitions. The latter is strongly influenced by fluctuations in the economic cycle. Finally, the probability of job transitions keeps declining steadily through the course of one's working life. In contrast to inter-organizational transitions, however, this age effect for intra-organizational transitions has decreased over time.

Reduced-Dimensionality Semiclassical Transition State Theory: Application to Hydrogen Atom Abstraction and Exchange Reactions of Hydrocarbons.

PubMed

Greene, Samuel M; Shan, Xiao; Clary, David C

2015-12-17

Quantum mechanical methods for calculating rate constants are often intractable for reactions involving many atoms. Semiclassical transition state theory (SCTST) offers computational advantages over these methods but nonetheless scales exponentially with the number of degrees of freedom (DOFs) of the system. Here we present a method with more favorable scaling, reduced-dimensionality SCTST (RD SCTST), that treats only a subset of DOFs of the system explicitly. We apply it to three H abstraction and exchange reactions for which two-dimensional potential energy surfaces (PESs) have previously been constructed and evaluated using RD quantum scattering calculations. We differentiated these PESs to calculate harmonic frequencies and anharmonic constants, which were then used to calculate cumulative reaction probabilities and rate constants by RD SCTST. This method yielded rate constants in good agreement with quantum scattering results. Notably, it performed well for a heavy-light-heavy reaction, even though it does not explicitly account for corner-cutting effects. Recent extensions to SCTST that improve its treatment of deep tunneling were also evaluated within the reduced-dimensionality framework. The success of RD SCTST in this study suggests its potential applicability to larger systems.

Potential Energy Curves, Transition Dipole Moments, and Franck-Condon Factors of the 12 Low-Lying States of BrO- Anion.

PubMed

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2017-11-02

This work investigates the spectroscopic parameters, vibrational levels, and transition probabilities of 12 low-lying states, which are generated from the first dissociation limit, Br( 2 P u ) + O - ( 2 P u ), of the BrO - anion. The 12 states are X 1 Σ + , 2 1 Σ + , 1 1 Σ - , 1 1 Π, 2 1 Π, 1 1 Δ, a 3 Π, 1 3 Σ + , 2 3 Σ + , 1 3 Σ - , 2 3 Π, and 1 3 Δ. The potential energy curves are calculated with the complete active-space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with Davidson modification. The dissociation energy D 0 of X 1 Σ + state is determined to be approximately 26876.44 cm -1 , which agrees well with the experimental one of 26494.50 cm -1 . Of these 12 states, the 2 1 Σ + , 1 1 Σ - , 2 1 Π, 1 1 Δ, 1 3 Σ + , 2 3 Σ + , 2 3 Π, and 1 3 Δ states are very weakly bound states, whose well depths are only several-hundred cm -1 . The a 3 Π, 2 3 Π, and 1 3 Δ states are inverted and account for the spin-orbit coupling effect. No states are repulsive regardless of whether the spin-orbit coupling effect is included. The spectroscopic parameters and vibrational levels are determined. The transition dipole moments of 12-pair electronic states are calculated. Franck-Condon factors of a number of transitions of more than 20-pair electronic states are evaluated. The electronic transitions are discussed. The spin-orbit coupling effect on the spectroscopic parameters and vibrational properties is profound for all the states except for X 1 Σ + , a 3 Π, and 1 1 Π. The spectroscopic parameters and transition probabilities obtained in this paper can provide some powerful guidelines for observing these states in a proper spectroscopy experiment, in particular the states that have very shallow potential wells.

Forbidden transition probabilities for ground terms of ions with p or p5 configurations. [for solar atmosphere

NASA Technical Reports Server (NTRS)

Kastner, S. O.

1976-01-01

Forbidden transition probabilities are given for ground term transitions of ions in the isoelectronic sequences with outer configurations 2s2 2p (B I), 2p5 (F I), 3s2 3p (Al I), and 3p5 (Cl I). Tables give, for each ion, the ground term interval, the associated wavelength, the quadrupole radial integral, the electric quadrupole transition probability, and the magnetic dipole transition probability. Coronal lines due to some of these ions have been observed, while others are yet to be observed. The tales for the Al I and Cl I sequences include elements up to germanium.

Constrained proper sampling of conformations of transition state ensemble of protein folding

PubMed Central

Lin, Ming; Zhang, Jian; Lu, Hsiao-Mei; Chen, Rong; Liang, Jie

2011-01-01

Characterizing the conformations of protein in the transition state ensemble (TSE) is important for studying protein folding. A promising approach pioneered by Vendruscolo [Nature (London) 409, 641 (2001)] to study TSE is to generate conformations that satisfy all constraints imposed by the experimentally measured ϕ values that provide information about the native likeness of the transition states. Faísca [J. Chem. Phys. 129, 095108 (2008)] generated conformations of TSE based on the criterion that, starting from a TS conformation, the probabilities of folding and unfolding are about equal through Markov Chain Monte Carlo (MCMC) simulations. In this study, we use the technique of constrained sequential Monte Carlo method [Lin , J. Chem. Phys. 129, 094101 (2008); Zhang Proteins 66, 61 (2007)] to generate TSE conformations of acylphosphatase of 98 residues that satisfy the ϕ-value constraints, as well as the criterion that each conformation has a folding probability of 0.5 by Monte Carlo simulations. We adopt a two stage process and first generate 5000 contact maps satisfying the ϕ-value constraints. Each contact map is then used to generate 1000 properly weighted conformations. After clustering similar conformations, we obtain a set of properly weighted samples of 4185 candidate clusters. Representative conformation of each of these cluster is then selected and 50 runs of Markov chain Monte Carlo (MCMC) simulation are carried using a regrowth move set. We then select a subset of 1501 conformations that have equal probabilities to fold and to unfold as the set of TSE. These 1501 samples characterize well the distribution of transition state ensemble conformations of acylphosphatase. Compared with previous studies, our approach can access much wider conformational space and can objectively generate conformations that satisfy the ϕ-value constraints and the criterion of 0.5 folding probability without bias. In contrast to previous studies, our results show that transition state conformations are very diverse and are far from nativelike when measured in cartesian root-mean-square deviation (cRMSD): the average cRMSD between TSE conformations and the native structure is 9.4 Å  for this short protein, instead of 6 Å reported in previous studies. In addition, we found that the average fraction of native contacts in the TSE is 0.37, with enrichment in native-like β-sheets and a shortage of long range contacts, suggesting such contacts form at a later stage of folding. We further calculate the first passage time of folding of TSE conformations through calculation of physical time associated with the regrowth moves in MCMC simulation through mapping such moves to a Markovian state model, whose transition time was obtained by Langevin dynamics simulations. Our results indicate that despite the large structural diversity of the TSE, they are characterized by similar folding time. Our approach is general and can be used to study TSE in other macromolecules. PMID:21341875

NO TIMING VARIATIONS OBSERVED IN THIRD TRANSIT OF SNOW-LINE EXOPLANET KEPLER-421b

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

Dalba, Paul A.; Muirhead, Philip S., E-mail: pdalba@bu.edu

2016-07-20

We observed Kepler-421 during the anticipated third transit of the snow-line exoplanet Kepler-421b in order to constrain the existence and extent of transit timing variations (TTVs). Previously, the Kepler spacecraft only observed two transits of Kepler-421b, leaving the planet’s transit ephemeris unconstrained. Our visible light, time-series observations from the 4.3 m Discovery Channel Telescope were designed to capture pre-transit baseline and the partial transit of Kepler-421b, barring significant TTVs. We use the light curves to assess the probabilities of various transit models using both the posterior odds ratio and the Bayesian Information Criterion, and find that a transit model withmore » no TTVs is favored to 3.6 σ confidence. These observations suggest that Kepler-421b is either alone in its system or is only experiencing minor dynamic interactions with an unseen companion. With the Kepler-421b ephemeris constrained, we calculate future transit times and discuss the opportunity to characterize the atmosphere of this cold, long-period exoplanet via transmission spectroscopy. Our investigation emphasizes the difficulties associated with observing long-period exoplanet transits and the consequences that arise from failing to refine transit ephemerides.« less

A Gaussian Model-Based Probabilistic Approach for Pulse Transit Time Estimation.

PubMed

Jang, Dae-Geun; Park, Seung-Hun; Hahn, Minsoo

2016-01-01

In this paper, we propose a new probabilistic approach to pulse transit time (PTT) estimation using a Gaussian distribution model. It is motivated basically by the hypothesis that PTTs normalized by RR intervals follow the Gaussian distribution. To verify the hypothesis, we demonstrate the effects of arterial compliance on the normalized PTTs using the Moens-Korteweg equation. Furthermore, we observe a Gaussian distribution of the normalized PTTs on real data. In order to estimate the PTT using the hypothesis, we first assumed that R-waves in the electrocardiogram (ECG) can be correctly identified. The R-waves limit searching ranges to detect pulse peaks in the photoplethysmogram (PPG) and to synchronize the results with cardiac beats--i.e., the peaks of the PPG are extracted within the corresponding RR interval of the ECG as pulse peak candidates. Their probabilities of being the actual pulse peak are then calculated using a Gaussian probability function. The parameters of the Gaussian function are automatically updated when a new pulse peak is identified. This update makes the probability function adaptive to variations of cardiac cycles. Finally, the pulse peak is identified as the candidate with the highest probability. The proposed approach is tested on a database where ECG and PPG waveforms are collected simultaneously during the submaximal bicycle ergometer exercise test. The results are promising, suggesting that the method provides a simple but more accurate PTT estimation in real applications.

Hydrogeologic unit flow characterization using transition probability geostatistics.

PubMed

Jones, Norman L; Walker, Justin R; Carle, Steven F

2005-01-01

This paper describes a technique for applying the transition probability geostatistics method for stochastic simulation to a MODFLOW model. Transition probability geostatistics has some advantages over traditional indicator kriging methods including a simpler and more intuitive framework for interpreting geologic relationships and the ability to simulate juxtapositional tendencies such as fining upward sequences. The indicator arrays generated by the transition probability simulation are converted to layer elevation and thickness arrays for use with the new Hydrogeologic Unit Flow package in MODFLOW 2000. This makes it possible to preserve complex heterogeneity while using reasonably sized grids and/or grids with nonuniform cell thicknesses.

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

Kastner, S.O.; Bhatia, A.K.

A generalized method for obtaining individual level population ratios is used to obtain relative intensities of extreme ultraviolet Fe XV emission lines in the range 284 --500 A, which are density dependent for electron densities in the tokamak regime or higher. Four lines in particular are found to attain quite high intensities in the high-density limit. The same calculation provides inelastic contributions to linewidths. The method connects level populations and level widths through total probabilities t/sub i/j, related to ''taboo'' probabilities of Markov chain theory. The t/sub i/j are here evaluated for a real atomic system, being therefore of potentialmore » interest to random-walk theorists who have been limited to idealized systems characterized by simplified transition schemes.« less

Oscillation characteristics of neutrino in the model with three sterile neutrinos for analysis of the anomalies on small distances

NASA Astrophysics Data System (ADS)

Khruschov, V. V.; Fomichev, S. V.

2017-11-01

In the framework of the model with three sterile neutrinos, the transition probabilities for different flavours of neutrino are calculated and the graphical dependences are obtained, in particular, for the appearance probability of electron neutrino and antineutrino in the muon neutrino and antineutrino jets as a function of distance and other model parameters at their acceptable values and at the neutrino energy less than 50 MeV, as well as a function of a ratio of distance to the neutrino energy. The theoretical results obtained can be used for analysis of the neutrino data related to the anomalies on small distances.

Predicted impact of extending the screening interval for diabetic retinopathy: the Scottish Diabetic Retinopathy Screening programme.

PubMed

Looker, H C; Nyangoma, S O; Cromie, D T; Olson, J A; Leese, G P; Philip, S; Black, M W; Doig, J; Lee, N; Briggs, A; Hothersall, E J; Morris, A D; Lindsay, R S; McKnight, J A; Pearson, D W M; Sattar, N A; Wild, S H; McKeigue, P; Colhoun, H M

2013-08-01

The aim of our study was to identify subgroups of patients attending the Scottish Diabetic Retinopathy Screening (DRS) programme who might safely move from annual to two yearly retinopathy screening. This was a retrospective cohort study of screening data from the DRS programme collected between 2005 and 2011 for people aged ≥12 years with type 1 or type 2 diabetes in Scotland. We used hidden Markov models to calculate the probabilities of transitions to referable diabetic retinopathy (referable background or proliferative retinopathy) or referable maculopathy. The study included 155,114 individuals with no referable diabetic retinopathy or maculopathy at their first DRS examination and with one or more further DRS examinations. There were 11,275 incident cases of referable diabetic eye disease (9,204 referable maculopathy, 2,071 referable background or proliferative retinopathy). The observed transitions to referable background or proliferative retinopathy were lower for people with no visible retinopathy vs mild background retinopathy at their prior examination (respectively, 1.2% vs 8.1% for type 1 diabetes and 0.6% vs 5.1% for type 2 diabetes). The lowest probability for transitioning to referable background or proliferative retinopathy was among people with two consecutive screens showing no visible retinopathy, where the probability was <0.3% for type 1 and <0.2% for type 2 diabetes at 2 years. Transition rates to referable diabetic eye disease were lowest among people with type 2 diabetes and two consecutive screens showing no visible retinopathy. If such people had been offered two yearly screening the DRS service would have needed to screen 40% fewer people in 2009.

Thermodynamically stable diatomic dications: The cases of SrO2+ and SrH2+

NASA Astrophysics Data System (ADS)

Gonçalves dos Santos, Levi; Franzreb, Klaus; Ornellas, Fernando R.

2018-03-01

A high level theoretical investigation of the low-lying electronic states of the diatomic dications SrO2+ and SrH2+ is presented for the first time along with experimental results of their mass spectra where they were detected. A global and reliable picture of the potential energy curves of the electronic states and the associated spectroscopic parameters provide quantitative results attesting to the thermodynamic stability of both species. Inclusion of spin-orbit interactions does not significantly change the energetic characterization. For SrO2+, the ground (X 3Σ-) and first excited (A 3Π, Te = 3971 cm-1) states are bound (De) by 15.94 kcal mol-1 and 4.71 kcal mol-1, respectively. Transition probabilities (Av'v″) have been evaluated and radiative lifetimes estimated for the vibrational states of A 3Π (v'), and transition probabilities are expected to be diagonally dominant and fall in the far-IR region of the spectrum. For the singlet states a 1Δ, b 1Π, c 1Σ+, and d 1Σ+, transition probabilities have also been calculated for all symmetry allowed transitions and the radiative lifetimes evaluated for selected vibrational states of the upper levels. The transitions associated with the band systems d 1Σ+-b 1Π and d 1Σ+-c 1Σ+, although falling in the yellow region of the spectrum, with overlapping bands, are expected to show quite distinct intensities since the transition moment associated with d 1Σ+-c 1Σ+ is much larger. For singlet transitions, the prediction of relative intensities using the Franck-Condon approximation fails in most of the cases. For SrH2+, only the ground state is bound (De = 6.54 kcal mol-1); with an equilibrium distance of 5.117 a0, the associated spectroscopic parameters (ωe, ωexe, Be) turned out to be (518.9, 32.77, 2.3227) in cm-1. For both species, dipole moment functions illustrate the variation of the molecular polarity with the internuclear distance.

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO₂.

PubMed

Wagner, Albert F; Dawes, Richard; Continetti, Robert E; Guo, Hua

2014-08-07

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO2 on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least amount of information about the reaction path and produces too high a tunneling probability on PIP-NN surface, leading to survival fractions that peak at half their measured values.

Non-resonant excitation of rare-earth ions via virtual Auger process

NASA Astrophysics Data System (ADS)

Yassievich, I. N.

2011-05-01

The luminescence of rare-earth ions (REI) is often intensified by defects associated with REIs or excitons bound to these defects. In this paper we show that the presence of such a state opens the possibility of non-resonance optical pumping via the process involving virtual Auger transition. It is the second order perturbation process when an electron arrives in an virtual intermediate state due to the optical transition (the first step) and the Auger transition is the second one. We have calculated the cross-section of such an excitation process when the optical transition is accompanied by creation of the exciton bound to the defect associated with REI and obtained a simple analytical expression for the cross-section. The excess energy of the excitation quanta is taken away by multiphonon emission. The electron-phonon interaction with local phonon vibrations of the bound exciton is assumed to determine the multiphonon process. It is shown that the probability of the process under study exceeds considerably the probability of direct optical 4f-4f absorption even in the case when the energy distance between the excitation quantum energy and the exciton energy is about 0.1 of the exciton energy. The excitation mechanism considered leads to the appearance of a broad unsymmetrical band in the excitation spectrum with the red side much wider and flatter than the blue one.

E 3 and M 2 transition strengths in Bi20983

NASA Astrophysics Data System (ADS)

Roberts, O. J.; NiÅ£ǎ, C. R.; Bruce, A. M.; Mǎrginean, N.; Bucurescu, D.; Deleanu, D.; Filipescu, D.; Florea, N. M.; Gheorghe, I.; GhiÅ£ǎ, D.; Glodariu, T.; Lica, R.; Mǎrginean, R.; Mihai, C.; Negret, A.; Sava, T.; Stroe, L.; Şuvǎilǎ, R.; Toma, S.; Alharbi, T.; Alexander, T.; Aydin, S.; Brown, B. A.; Browne, F.; Carroll, R. J.; Mulholland, K.; Podolyák, Zs.; Regan, P. H.; Smith, J. F.; Smolen, M.; Townsley, C. M.

2016-01-01

The 1 i13/2→1 h9/2 (M 2 ) and 3 s1/2→2 f7/2 (E 3 ) reduced proton transition probabilities in Bi20983 have been determined from the direct half-life measurements of the 13/21+ and 1/21+ states using the Romanian array for γ -ray SPectroscopy in HEavy ion REactions (RoSPHERE). The 13/21+ and 1/21+ states were found to have T1/2=0.120 (15 ) ns and T1/2=9.02 (24 ) ns respectively. Angular distribution measurements were used to determine an E 3 /M 2 mixing ratio of δ =-0.184 (13 ) for the 1609 keV γ -ray transition deexciting the 13/21+ state. This value for δ was combined with the measured half-life to give reduced transition probabilities of B (E 3 ,13/21+→9/21-) =12 (2 ) ×103 e2fm6 and B (M 2 ,13/21+→9/21-) =38 (5 ) μN2fm2 . These values are in good agreement with calculations within the finite Fermi system. The extracted value of B (E 3 ,1/21+→7/21-) =6.3 (2 ) ×103 e2fm6 can be explained by a small (˜6 % ) admixture in the wave function of the 1/21+ state.

Determination and Use of the Local Recovery Factor for Calculating the Effectiveness Gas Temperature for Turbine Blades / Jack B. Esgar and Alfred L. Lea

NASA Technical Reports Server (NTRS)

Esgar, Jack B; Lea, Alfred L

1951-01-01

In an in experimental investigation of local recovery factors for a blade having a pressure distribution similar to that of a typical reaction-type turbine blade, it a was found that the recovery factors were essentially independent of Mach number, Reynolds number, pressure gradient, and position on the blade surface except for regions where the boundary layer was probably in the transition range from laminar to turbulent. The recommended value of local subsonic recovery factor for use in calculating the effective gas temperature for gas turbine blades was 0.89.

The radiative lifetime of the 5S(0)2 metastable level of O(2+)

NASA Technical Reports Server (NTRS)

Johnson, B. C.; Smith, P. L.; Knight, R. D.

1984-01-01

The radiative lifetime of the 5S(0)2 metastable level of O(2+) was measured as 1.22 + or - 0.08 ms at the 90 percent confidence level by observing the time dependence of the spontaneous emission from metastable ions created and stored in a cylindrical radio-frequency ion trap. The intersystem line emission 2s(2)2p(2) 3P - 2s2p(3) 5S(0) was observed at 1660.8 and 1666.2 A. Discrepancies between measured and calculated values indicate that certain calculated transition probabilities for intersystem lines may be less reliable than previously believed.

Electron impact excitation of NeIII intercombination lines

NASA Astrophysics Data System (ADS)

Daw, Adrian; McLaughlin, Brendan M.; Bell, Kenneth L.

2000-06-01

Observations on the spectra of doubly ionized neon (NeIII) have been recently recorded below 25O Å(A. E. Livington, R. Buttner, A. S. Zacarias, B. Kraus, K-H Schartner, F. Folkmann and P. H. Mokler, J. Opt. Soc. Am. B 14) 522-525 (1997).. This work together with previous studies give line intensies which may be used as density diagnostics but required accurate collision strengths and transition probabilities for their interpretation. Recent studies on electron collisions with NeIII ions using the R-matrix approach (B. M. McLaughlin and K. L. Bell, J. Phys. B. 33), 597 (2000). for Δ n=0 transitions, illustrated the importance of including n=3 and 4 levels in the calculations compared to previous work. (K. Butler and C. Mendoza, Mon. Not. R. Astr. Soc. 208), 17 (1984). Particular emphasis is now placed on transitions to the intercombination 2s^22p^3[^4S^o]3s ^3,5S^o levels and to the other n=3 levels where comparison can be made with previous distorted-wave work. The calculations of fine-structure transitions by electron impact, to and within these multiplets of NeIII provide much needed accurate data for astrophysical models. Further details and a comprehensive set of results will be presented at the meeting.

Optical transitions of Ho(3+) in oxyfluoride glasses and upconversion luminescence of Ho(3+)/Yb(3+)-codoped oxyfluoride glasses.

PubMed

Feng, Li; Wu, Yinsu

2015-05-05

Optical properties of Ho(3+)-doped SiO2-BaF2-ZnF2 glasses have been investigated on the basis of the Judd-Ofelt theory. Judd-Ofelt intensity parameters, radiative transition probabilities, fluorescence branching ratios and radiative lifetimes have been calculated for different glass compositions. Upconversion emissions were observed in Ho(3+)/Yb(3+)-codoped SiO2-BaF2-ZnF2 glasses under 980nm excitation. The effects of composition, concentration of the doping ions, and excitation pump power on the upconversion emissions were also systematically studied. Copyright © 2015 Elsevier B.V. All rights reserved.

Optical transitions of Tm3+ in oxyfluoride glasses and compositional and thermal effect on upconversion luminescence of Tm3+/Yb3+-codoped oxyfluoride glasses.

PubMed

Feng, Li; Wu, Yinsu; Liu, Zhuo; Guo, Tao

2014-01-24

Optical properties of Tm(3+)-doped SiO2-BaF2-ZnF2 glasses have been investigated on the basis of the Judd-Ofelt theory. Judd-Ofelt intensity parameters, radiative transition probabilities, fluorescence branching ratios and radiative lifetimes have been calculated for different glass compositions. Upconversion emissions were observed in Tm(3+)/Yb(3+)-codoped SiO2-BaF2-ZnF2 glasses under 980 nm excitation. The effects of composition, concentration of the doping ions, temperature, and excitation pump power on the upconversion emissions were also systematically studied. Copyright © 2013 Elsevier B.V. All rights reserved.

Stark broadening parameters and transition probabilities of persistent lines of Tl II

NASA Astrophysics Data System (ADS)

de Andrés-García, I.; Colón, C.; Fernández-Martínez, F.

2018-05-01

The presence of singly ionized thallium in the stellar atmosphere of the chemically peculiar star χ Lupi was reported by Leckrone et al. in 1999 by analysis of its stellar spectrum obtained with the Goddard High Resolution Spectrograph (GHRS) on board the Hubble Space Telescope. Atomic data about the spectral line of 1307.50 Å and about the hyperfine components of the spectral lines of 1321.71 Å and 1908.64 Å were taken from different sources and used to analyse the isotopic abundance of thallium II in the star χ Lupi. From their results the authors concluded that the photosphere of the star presents an anomalous isotopic composition of Tl II. A study of the atomic parameters of Tl II and of the broadening by the Stark effect of its spectral lines (and therefore of the possible overlaps of these lines) can help to clarify the conclusions about the spectral abundance of Tl II in different stars. In this paper we present calculated values of the atomic transition probabilities and Stark broadening parameters for 49 spectral lines of Tl II obtained by using the Cowan code including core polarization effects and the Griem semiempirical approach. Theoretical values of radiative lifetimes for 11 levels (eight with experimental values in the bibliography) are calculated and compared with the experimental values in order to test the quality of our results. Theoretical trends of the Stark width and shift parameters versus the temperature for spectral lines of astrophysical interest are displayed. Trends of our calculated Stark width for the isoelectronic sequence Tl II-Pb III-Bi IV are also displayed.

A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method.

PubMed

Caricato, Marco

2013-07-28

The calculation of vertical electronic transition energies of molecular systems in solution with accurate quantum mechanical methods requires the use of approximate and yet reliable models to describe the effect of the solvent on the electronic structure of the solute. The polarizable continuum model (PCM) of solvation represents a computationally efficient way to describe this effect, especially when combined with coupled cluster (CC) methods. Two formalisms are available to compute transition energies within the PCM framework: State-Specific (SS) and Linear-Response (LR). The former provides a more complete account of the solute-solvent polarization in the excited states, while the latter is computationally very efficient (i.e., comparable to gas phase) and transition properties are well defined. In this work, I review the theory for the two formalisms within CC theory with a focus on their computational requirements, and present the first implementation of the LR-PCM formalism with the coupled cluster singles and doubles method (CCSD). Transition energies computed with LR- and SS-CCSD-PCM are presented, as well as a comparison between solvation models in the LR approach. The numerical results show that the two formalisms provide different absolute values of transition energy, but similar relative solvatochromic shifts (from nonpolar to polar solvents). The LR formalism may then be used to explore the solvent effect on multiple states and evaluate transition probabilities, while the SS formalism may be used to refine the description of specific states and for the exploration of excited state potential energy surfaces of solvated systems.

Tables of Calculated Transition Probabilities for the A-X System of OH

DTIC Science & Technology

1981-06-01

June 1981 US ARMY ARMAMENT RESEARCH AND DEVELOPMENT COMMAND BALLISTIC RESEARCH LABORATORY ABERDEEN PROVING GROUND , MARYLAND Approved for public release...Laboratory ATTN: DRDAR-BLP Aberdeen Proving Ground , MD 21005 1L16112AH43 II. CONTROLLING OFFICE NAME AND ADDRESS 12. REPORT DATE USA Armament Research and...Development Command /I JUNE. 1981 USA Ballistic Research Laboratory 4 ATTN: DRDAR-BL 1/1) S 2P’GE Aberden Provine Ground . MD 21001 56 Pazes 14

Routing a High Value Unit for Optimized Missile Defense in Coastal Waters

DTIC Science & Technology

2008-03-01

model ( XRP ), whose solution yields an optimal transit path for the CSG through a notional sea space called the “area of transit” (AT). XRP discretizes... XRP calculates and then writes to a text file the maximum-reliability route through the AT by vertex location, configuration, and direction of travel...in order to keep this research unclassified, no real threat data, such as probabilities of kill, are used. The XRP solution algorithm is written in

Breit–Pauli atomic structure calculations for Fe XI

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

Aggarwal, Sunny, E-mail: sunny.du87@gmail.com; Singh, Jagjit; Mohan, Man

Energy levels, oscillator strengths, and transition probabilities are calculated for the lowest-lying 165 energy levels of Fe XI using configuration-interaction wavefunctions. The calculations include all the major correlation effects. Relativistic effects are included in the Breit–Pauli approximation by adding mass-correction, Darwin, and spin–orbit interaction terms to the non-relativistic Hamiltonian. For comparison with the calculated ab initio energy levels, we have also calculated the energy levels by using the fully relativistic multiconfiguration Dirac–Fock method. The calculated results are in close agreement with the National Institute of Standards and Technology compilation and other available results. New results are predicted for many ofmore » the levels belonging to the 3s3p{sup 4}3d and 3s3p{sup 3}3d{sup 2} configurations, which are very important in astrophysics, relevant, for example, to the recent observations by the Hinode spacecraft. We expect that our extensive calculations will be useful to experimentalists in identifying the fine structure levels in their future work.« less

Video Shot Boundary Detection Using QR-Decomposition and Gaussian Transition Detection

NASA Astrophysics Data System (ADS)

Amiri, Ali; Fathy, Mahmood

2010-12-01

This article explores the problem of video shot boundary detection and examines a novel shot boundary detection algorithm by using QR-decomposition and modeling of gradual transitions by Gaussian functions. Specifically, the authors attend to the challenges of detecting gradual shots and extracting appropriate spatiotemporal features that affect the ability of algorithms to efficiently detect shot boundaries. The algorithm utilizes the properties of QR-decomposition and extracts a block-wise probability function that illustrates the probability of video frames to be in shot transitions. The probability function has abrupt changes in hard cut transitions, and semi-Gaussian behavior in gradual transitions. The algorithm detects these transitions by analyzing the probability function. Finally, we will report the results of the experiments using large-scale test sets provided by the TRECVID 2006, which has assessments for hard cut and gradual shot boundary detection. These results confirm the high performance of the proposed algorithm.

Study on the spectroscopic parameters and transition probabilities of 25 low-lying states of the AlC+ cation

NASA Astrophysics Data System (ADS)

Zhang, Jicai; Shi, Deheng; Xing, Wei; Sun, Jinfeng; Zhu, Zunlue

2017-11-01

This paper investigates the spectroscopic parameters and transition probabilities of 25 low-lying states, which come from the first five dissociation channels of AlC+ cation. The potential energy curves are calculated with the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with Davidson correction. Of these 25 states, only the 35Σ-state is repulsive; the c1Σ+, f1Π, and 15Π states have the double well; the first well of c1Σ+ state and the second well of 15Π state are very weakly bound; the first well of c1Σ+ state has no vibrational levels; the 25Π state and the double well of f1Π state have only several vibrational states; the B3Σ-, E3Σ+, D3Π, 15Σ+, 25Σ-, and 15Π states are inverted when the spin-orbit coupling effect is included. The avoided crossings exist between the B3Σ- and 33Σ- states, the c1Σ+ and d1Σ+ states, the f1Π and 31Π states, the 15Π and 25Π states, as well as the 25Π and 35Π states. Core-valence correlation and scalar relativistic corrections are considered. The extrapolation of potential energies to the complete basis set limit is done. The spectroscopic parameters and vibrational levels are determined for all the Λ-S and Ω bound states. The transition dipole moments are calculated. Franck-Condon factors of a great number of electronic transitions are evaluated. On the whole, the spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is small except for very few states. The results determined in this paper could provide some powerful guidelines to observe these states in a spectroscopy experiment.

The 557.7 and 297.2 nm lines of O(1S) in the atmospheres of the terrestrial planets

NASA Astrophysics Data System (ADS)

Slanger, Tom; Sharpee, Brian; Pejakovic, Dusan; Gattinger, Richard; Llewellyn, Edward J.; McDade, Ian; Siskind, David; Minschwaner, Kenneth

There are few examples of spectral features in nightglows or in auroras which can be used for relative intensity calibration from space, particularly over a broad wavelength region. One potential candidate is the atomic oxygen line pair at 297.2 nm (the trans-auroral line) and 557.7 nm (the green line). They share the common O(1 S0 ) upper level, and therefore the observed intensity ratio of the O(1 S0 -1 D2 ) and O(1 S0 -3 P1 ) lines has a value that is a quantum-mechanical constant, equal to the ratio of the respective transition probabilities. The recently-published figure of 9.3 ± 0.5 [Gattinger et al., 2009] for I557.7 /I297.2 confirms the earlier value of 9.8 ± 1.0 [Slanger et al., 2006] as well as a previous estimate of 9 [Sharp and Siskind,1989] (all expressed in photon units). Such good agreement suggests that this value can be used for a two-point calibration of orbiting spectrometers where both lines can be observed. O(1 S) emission is seen in the atmospheres of all three terrestrial planets -Venus, Earth, Mars. Comparison with theory is less satisfactory. The current ratio of these transition probabilities recommended by NIST is 16.7, based on numerous calculations. This emphasizes the uncertain-ties inherent in making calculations on strongly forbidden transitions. For the O(1 S) case, the transition to O(3 P) proceeds by spin-orbit interaction, whereas that to O(1 D) involves electric quadrupole interaction. References Gattinger, R.L., et al., Can. J. Phys. 87, 1133, 2009 Sharp, W.E. and D.E. Siskind, Geophys. Res. Lett. 16, 1453, 1989 Slanger, T.G., et al., J. Geophys. Res. 111, A12318, 2006

Absolute Transition Probabilities of Lines in the Spectra of Astrophysical Atoms, Molecules, and Ions

NASA Technical Reports Server (NTRS)

Parkinson, W. H.; Smith, P. L.; Yoshino, K.

1984-01-01

Progress in the investigation of absolute transition probabilities (A-values or F values) for ultraviolet lines is reported. A radio frequency ion trap was used for measurement of transition probabilities for intersystem lines seen in astronomical spectra. The intersystem line at 2670 A in Al II, which is seen in pre-main sequence stars and symbiotic stars, was studied.

Protein side chain rotational isomerization: A minimum perturbation mapping study

NASA Astrophysics Data System (ADS)

Haydock, Christopher

1993-05-01

A theory of the rotational isomerization of the indole side chain of tryptophan-47 of variant-3 scorpion neurotoxin is presented. The isomerization potential energy, entropic part of the isomerization free energy, isomer probabilities, transition state theory reaction rates, and indole order parameters are calculated from a minimum perturbation mapping over tryptophan-47 χ1×χ2 torsion space. A new method for calculating the fluorescence anisotropy from molecular dynamics simulations is proposed. The method is based on an expansion that separates transition dipole orientation from chromophore dynamics. The minimum perturbation potential energy map is inverted and applied as a bias potential for a 100 ns umbrella sampling simulation. The entropic part of the isomerization free energy as calculated by minimum perturbation mapping and umbrella sampling are in fairly close agreement. Throughout, the approximation is made that two glutamine and three tyrosine side chains neighboring tryptophan-47 are truncated at the Cβ atom. Comparison with the previous combination thermodynamic perturbation and umbrella sampling study suggests that this truncated neighbor side chain approximation leads to at least a qualitatively correct theory of tryptophan-47 rotational isomerization in the wild type variant-3 scorpion neurotoxin. Analysis of van der Waals interactions in a transition state region indicates that for the simulation of barrier crossing trajectories a linear combination of three specially defined dihedral angles will be superior to a simple side chain dihedral reaction coordinate.

Quantum-Chemical Simulation of the Solvent Effect on Spontaneous Emission of Singlet Oxygen

NASA Astrophysics Data System (ADS)

Ivashin, N. V.; Shchupak, E. E.

2018-01-01

A molecular simulation of the solvent effect on radiative rate constant k r of singlet oxygen is carried out. This study included a search for the most probable conformations of the complexes of molecules of singlet oxygen and ten solvents and calculation of dipole moments M of transitions a 1Δ g -b1Σ g + ( M a-b ) and a 1Δ g - X 3Σ g - ( M a-X ) of the oxygen molecule for them. Averaging of M a-b by conformations, taking into account the probability of their formation for complexes without atoms with a large atomic number (Cl, S), yields values that, as a rule, correlate well with the behavior of k r in the experiment. Taking into account the possibility of decreasing the distance (compared to equilibrium) between molecules in a collision complex at room temperature made it possible to achieve satisfactory agreement of the calculated and experimental data also for complexes with CCl4, C2Cl4, and CS2. The obtained data indicate that a number of factors affect k r . The correlation of k r with molecular polarizability in a number of cases is due, on the one hand, to its effect on the strength of dispersion interactions in the complex and, on the other hand, to the fact that it to some extent reflects the position of the upper filled orbitals of the solvent molecule. Both factors affect the degree of mixing of the π orbitals of the singlet oxygen molecule with the orbitals of the solvent molecule, which, as was found earlier, facilitates the activation of the a 1Δ g -b1Σ g + transition and the borrowing of its intensity by the a 1Δ g - X 3Σ g - transition.

Studies of the Ge(100) Surface Using a Low Energy Positron Beam: The Effects of Surface Reconstructions on Positron Trapping and Annihilation Characteristics

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2008-03-01

Positron annihilation induced Auger electron spectroscopy (PAES) has been applied to study the Ge(100) surface. The PAES spectrum from the Ge(100) surface displays several strong Auger peaks corresponding to M4,5N1N2,3 , M2,3M4,5M4,5 , M2,3M4,5V, and M1M4,5M4,5 Auger transitions. The integrated peak intensities of Auger transitions are used to obtain experimental annihilation probabilities for the Ge 3d and 3p core level electrons. The experimental results are analyzed by performing calculations of positron surface states and annihilation characteristics of surface trapped positrons with relevant Ge core-level electrons for the reconstructed Ge(100)-p(2x1), Ge(100)-p(2x2), and Ge(100)-c(4x2) surfaces. Estimates of positron binding energy, work function, and annihilation characteristics reveal their sensitivity to surface reconstruction of the topmost layers of clean Ge(100). These results are compared to the ones obtained for the reconstructed Si(100)-(2x1) and Si(100)-p(2x2) surfaces. A comparison with PAES data reveals an agreement with theoretical core annihilation probabilities for the Auger transitions considered.

The impact of individual-level heterogeneity on estimated infectious disease burden: a simulation study.

PubMed

McDonald, Scott A; Devleesschauwer, Brecht; Wallinga, Jacco

2016-12-08

Disease burden is not evenly distributed within a population; this uneven distribution can be due to individual heterogeneity in progression rates between disease stages. Composite measures of disease burden that are based on disease progression models, such as the disability-adjusted life year (DALY), are widely used to quantify the current and future burden of infectious diseases. Our goal was to investigate to what extent ignoring the presence of heterogeneity could bias DALY computation. Simulations using individual-based models for hypothetical infectious diseases with short and long natural histories were run assuming either "population-averaged" progression probabilities between disease stages, or progression probabilities that were influenced by an a priori defined individual-level frailty (i.e., heterogeneity in disease risk) distribution, and DALYs were calculated. Under the assumption of heterogeneity in transition rates and increasing frailty with age, the short natural history disease model predicted 14% fewer DALYs compared with the homogenous population assumption. Simulations of a long natural history disease indicated that assuming homogeneity in transition rates when heterogeneity was present could overestimate total DALYs, in the present case by 4% (95% quantile interval: 1-8%). The consequences of ignoring population heterogeneity should be considered when defining transition parameters for natural history models and when interpreting the resulting disease burden estimates.

Stochastic simulation of human pulmonary blood flow and transit time frequency distribution based on anatomic and elasticity data.

PubMed

Huang, Wei; Shi, Jun; Yen, R T

2012-12-01

The objective of our study was to develop a computing program for computing the transit time frequency distributions of red blood cell in human pulmonary circulation, based on our anatomic and elasticity data of blood vessels in human lung. A stochastic simulation model was introduced to simulate blood flow in human pulmonary circulation. In the stochastic simulation model, the connectivity data of pulmonary blood vessels in human lung was converted into a probability matrix. Based on this model, the transit time of red blood cell in human pulmonary circulation and the output blood pressure were studied. Additionally, the stochastic simulation model can be used to predict the changes of blood flow in human pulmonary circulation with the advantage of the lower computing cost and the higher flexibility. In conclusion, a stochastic simulation approach was introduced to simulate the blood flow in the hierarchical structure of a pulmonary circulation system, and to calculate the transit time distributions and the blood pressure outputs.

Cross sections and rate coefficients for inner-shell excitation of Li-like ions with 6 < Z < 42

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.; Kato, T.

1996-07-01

Excitation cross sections and rate coefficients by electron impact were calculated for the 1s22s-1s2s2p, 1s22s-1s2s2 and 1s22s-1s2p2 transitions of the Li-like ions (C IV, N V, O VI, Ne VIII, Mg X, Al XI, Si XII, S XIV, Ar XVI, Ca XVIII, Ti XX, Fe XXIV, Ni XXVI, Zn XXVIII, Ge XXX, Se XXXII, Kr XXXIV and Mo XXXX) in the Coulomb-Born approximation with exchange including relativistic effects and configuration interaction. Level energies, mixing coefficients and transition wavelengths and probabilities were also computed. Calculations performed by the 1/Z perturbation theory and Coulomb-Born approximation are compared with the R-matrix method and the distorted-wave approximation were Z is the nuclear charge. Formulae obtained for the angular factors of n-electron atomic system allow one to generalize this method to an arbitrary system of highly charged ions.

Efficient Transition Probability Computation for Continuous-Time Branching Processes via Compressed Sensing.

PubMed

Xu, Jason; Minin, Vladimir N

2015-07-01

Branching processes are a class of continuous-time Markov chains (CTMCs) with ubiquitous applications. A general difficulty in statistical inference under partially observed CTMC models arises in computing transition probabilities when the discrete state space is large or uncountable. Classical methods such as matrix exponentiation are infeasible for large or countably infinite state spaces, and sampling-based alternatives are computationally intensive, requiring integration over all possible hidden events. Recent work has successfully applied generating function techniques to computing transition probabilities for linear multi-type branching processes. While these techniques often require significantly fewer computations than matrix exponentiation, they also become prohibitive in applications with large populations. We propose a compressed sensing framework that significantly accelerates the generating function method, decreasing computational cost up to a logarithmic factor by only assuming the probability mass of transitions is sparse. We demonstrate accurate and efficient transition probability computations in branching process models for blood cell formation and evolution of self-replicating transposable elements in bacterial genomes.

Efficient Transition Probability Computation for Continuous-Time Branching Processes via Compressed Sensing

PubMed Central

Xu, Jason; Minin, Vladimir N.

2016-01-01

Branching processes are a class of continuous-time Markov chains (CTMCs) with ubiquitous applications. A general difficulty in statistical inference under partially observed CTMC models arises in computing transition probabilities when the discrete state space is large or uncountable. Classical methods such as matrix exponentiation are infeasible for large or countably infinite state spaces, and sampling-based alternatives are computationally intensive, requiring integration over all possible hidden events. Recent work has successfully applied generating function techniques to computing transition probabilities for linear multi-type branching processes. While these techniques often require significantly fewer computations than matrix exponentiation, they also become prohibitive in applications with large populations. We propose a compressed sensing framework that significantly accelerates the generating function method, decreasing computational cost up to a logarithmic factor by only assuming the probability mass of transitions is sparse. We demonstrate accurate and efficient transition probability computations in branching process models for blood cell formation and evolution of self-replicating transposable elements in bacterial genomes. PMID:26949377

Use of generalized population ratios to obtain Fe XV line intensities and linewidths at high electron densities

NASA Technical Reports Server (NTRS)

Kastner, S. O.; Bhatia, A. K.

1980-01-01

A generalized method for obtaining individual level population ratios is used to obtain relative intensities of extreme ultraviolet Fe XV emission lines in the range 284-500 A, which are density dependent for electron densities in the tokamak regime or higher. Four lines in particular are found to attain quite high intensities in the high-density limit. The same calculation provides inelastic contributions to linewidths. The method connects level populations and level widths through total probabilities t(ij), related to 'taboo' probabilities of Markov chain theory. The t(ij) are here evaluated for a real atomic system, being therefore of potential interest to random-walk theorists who have been limited to idealized systems characterized by simplified transition schemes.

Use of generalized population ratios to obtain Fe XV line intensities and linewidths at high electron densities

NASA Astrophysics Data System (ADS)

Kastner, S. O.; Bhatia, A. K.

1980-08-01

A generalized method for obtaining individual level population ratios is used to obtain relative intensities of extreme ultraviolet Fe XV emission lines in the range 284-500 A, which are density dependent for electron densities in the tokamak regime or higher. Four lines in particular are found to attain quite high intensities in the high-density limit. The same calculation provides inelastic contributions to linewidths. The method connects level populations and level widths through total probabilities t(ij), related to 'taboo' probabilities of Markov chain theory. The t(ij) are here evaluated for a real atomic system, being therefore of potential interest to random-walk theorists who have been limited to idealized systems characterized by simplified transition schemes.

Network Security Risk Assessment System Based on Attack Graph and Markov Chain

NASA Astrophysics Data System (ADS)

Sun, Fuxiong; Pi, Juntao; Lv, Jin; Cao, Tian

2017-10-01

Network security risk assessment technology can be found in advance of the network problems and related vulnerabilities, it has become an important means to solve the problem of network security. Based on attack graph and Markov chain, this paper provides a Network Security Risk Assessment Model (NSRAM). Based on the network infiltration tests, NSRAM generates the attack graph by the breadth traversal algorithm. Combines with the international standard CVSS, the attack probability of atomic nodes are counted, and then the attack transition probabilities of ones are calculated by Markov chain. NSRAM selects the optimal attack path after comprehensive measurement to assessment network security risk. The simulation results show that NSRAM can reflect the actual situation of network security objectively.

Black hole as a point radiator and recoil effect on the brane world.

PubMed

Frolov, Valeri; Stojković, Dejan

2002-10-07

A small black hole attached to a brane in a higher-dimensional space emitting quanta into the bulk may leave the brane as a result of a recoil. We construct a field theory model in which such a black hole is described as a massive scalar particle with internal degrees of freedom. In this model, the probability of transition between the different internal levels is identical to the probability of thermal emission calculated for the Schwarzschild black hole. The discussed recoil effect implies that the thermal emission of the black holes, which might be created by interaction of high energy particles in colliders, could be terminated and the energy nonconservation can be observed in the brane experiments.

Statistic inversion of multi-zone transition probability models for aquifer characterization in alluvial fans

DOE PAGES

Zhu, Lin; Dai, Zhenxue; Gong, Huili; ...

2015-06-12

Understanding the heterogeneity arising from the complex architecture of sedimentary sequences in alluvial fans is challenging. This study develops a statistical inverse framework in a multi-zone transition probability approach for characterizing the heterogeneity in alluvial fans. An analytical solution of the transition probability matrix is used to define the statistical relationships among different hydrofacies and their mean lengths, integral scales, and volumetric proportions. A statistical inversion is conducted to identify the multi-zone transition probability models and estimate the optimal statistical parameters using the modified Gauss–Newton–Levenberg–Marquardt method. The Jacobian matrix is computed by the sensitivity equation method, which results in anmore » accurate inverse solution with quantification of parameter uncertainty. We use the Chaobai River alluvial fan in the Beijing Plain, China, as an example for elucidating the methodology of alluvial fan characterization. The alluvial fan is divided into three sediment zones. In each zone, the explicit mathematical formulations of the transition probability models are constructed with optimized different integral scales and volumetric proportions. The hydrofacies distributions in the three zones are simulated sequentially by the multi-zone transition probability-based indicator simulations. Finally, the result of this study provides the heterogeneous structure of the alluvial fan for further study of flow and transport simulations.« less

Generalized self-consistent method for predicting the effective elastic properties of composites with random hybrid structures

NASA Astrophysics Data System (ADS)

Pan'kov, A. A.

1997-05-01

The feasibility of using a generalized self-consistent method for predicting the effective elastic properties of composites with random hybrid structures has been examined. Using this method, the problem is reduced to solution of simpler special averaged problems for composites with single inclusions and corresponding transition layers in the medium examined. The dimensions of the transition layers are defined by correlation radii of the composite random structure of the composite, while the heterogeneous elastic properties of the transition layers take account of the probabilities for variation of the size and configuration of the inclusions using averaged special indicator functions. Results are given for a numerical calculation of the averaged indicator functions and analysis of the effect of the micropores in the matrix-fiber interface region on the effective elastic properties of unidirectional fiberglass—epoxy using the generalized self-consistent method and compared with experimental data and reported solutions.

The properties of the anti-tumor model with coupling non-Gaussian noise and Gaussian colored noise

NASA Astrophysics Data System (ADS)

Guo, Qin; Sun, Zhongkui; Xu, Wei

2016-05-01

The anti-tumor model with correlation between multiplicative non-Gaussian noise and additive Gaussian-colored noise has been investigated in this paper. The behaviors of the stationary probability distribution demonstrate that the multiplicative non-Gaussian noise plays a dual role in the development of tumor and an appropriate additive Gaussian colored noise can lead to a minimum of the mean value of tumor cell population. The mean first passage time is calculated to quantify the effects of noises on the transition time of tumors between the stable states. An increase in both the non-Gaussian noise intensity and the departure from the Gaussian noise can accelerate the transition from the disease state to the healthy state. On the contrary, an increase in cross-correlated degree will slow down the transition. Moreover, the correlation time can enhance the stability of the disease state.

Judd-Ofelt Analysis of Dy3+-Activated Aluminosilicate Glasses Prepared by Sol-Gel Method

NASA Astrophysics Data System (ADS)

Sengthong, Buonyavong; Van Tuyen, Ho; An, Nguyen Thi Thai; Van Do, Phan; Hai, Nguyen Thi Quy; Chau, Pham Thi Minh; Quang, Vu Xuan

2018-04-01

Aluminosilicate (AS) glasses doped with different Dy3+ concentrations were synthesized via sol-gel method. Absorption, photoluminescence spectra and lifetime of this material have been studied. From analytical results of absorption spectra, the Judd-Ofelt (JO) parameters of prepared samples have been determined. These JO parameters combined with photoluminescence spectra have been used to evaluate transition probabilities ( A R), branching ratios ( β) and the calculated oscillator strengths of AS:Dy3+ glasses. The radiative branching ratio of 4F9/2 → 6H13/2 transition has a minimum value at 62.2% for β R which predicts that this transition in AS:Dy3+ glasses can give rise to lasing action. JO parameters show that the Ω2 increases with the increasing of Dy3+ ion concentration due to the increased polarizability of the average coordination medium and decreased average symmetry.

49 CFR 173.50 - Class 1-Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... insensitive that there is very little probability of initiation or of transition from burning to detonation under normal conditions of transport. 1 The probability of transition from burning to detonation is... contain only extremely insensitive detonating substances and which demonstrate a negligible probability of...

The Feynman-Vernon Influence Functional Approach in QED

NASA Astrophysics Data System (ADS)

Biryukov, Alexander; Shleenkov, Mark

2016-10-01

In the path integral approach we describe evolution of interacting electromagnetic and fermionic fields by the use of density matrix formalism. The equation for density matrix and transitions probability for fermionic field is obtained as average of electromagnetic field influence functional. We obtain a formula for electromagnetic field influence functional calculating for its various initial and final state. We derive electromagnetic field influence functional when its initial and final states are vacuum. We present Lagrangian for relativistic fermionic field under influence of electromagnetic field vacuum.

Octupole correlations in the 144Ba nucleus described with symmetry-conserving configuration-mixing calculations

NASA Astrophysics Data System (ADS)

Bernard, Rémi N.; Robledo, Luis M.; Rodríguez, Tomás R.

2016-06-01

We study the interplay of quadrupole and octupole degrees of freedom in the structure of the isotope 144Ba. A symmetry-conserving configuration-mixing method (SCCM) based on a Gogny energy density functional (EDF) has been used. The method includes particle number, parity, and angular momentum restoration as well as axial quadrupole and octupole shape mixing within the generator coordinate method. Predictions both for excitation energies and electromagnetic transition probabilities are in good agreement with the most recent experimental data.

Improved phase shift approach to the energy correction of the infinite order sudden approximation

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

Chang, B.; Eno, L.; Rabitz, H.

1980-07-15

A new method is presented for obtaining energy corrections to the infinite order sudden (IOS) approximation by incorporating the effect of the internal molecular Hamiltonian into the IOS wave function. This is done by utilizing the JWKB approximation to transform the Schroedinger equation into a differential equation for the phase. It is found that the internal Hamiltonian generates an effective potential from which a new improved phase shift is obtained. This phase shift is then used in place of the IOS phase shift to generate new transition probabilities. As an illustration the resulting improved phase shift (IPS) method is appliedmore » to the Secrest--Johnson model for the collinear collision of an atom and diatom. In the vicinity of the sudden limit, the IPS method gives results for transition probabilities, P/sub n/..-->..n+..delta..n, in significantly better agreement with the 'exact' close coupling calculations than the IOS method, particularly for large ..delta..n. However, when the IOS results are not even qualitatively correct, the IPS method is unable to satisfactorily provide improvements.« less

Formation of primordial black holes from non-Gaussian perturbations produced in a waterfall transition

NASA Astrophysics Data System (ADS)

Bugaev, Edgar; Klimai, Peter

2012-05-01

We consider the process of primordial black hole (PBH) formation originated from primordial curvature perturbations produced during waterfall transition (with tachyonic instability), at the end of hybrid inflation. It is known that in such inflation models, rather large values of curvature perturbation amplitudes can be reached, which can potentially cause a significant PBH production in the early Universe. The probability distributions of density perturbation amplitudes in this case can be strongly non-Gaussian, which requires a special treatment. We calculated PBH abundances and PBH mass spectra for the model and analyzed their dependence on model parameters. We obtained the constraints on the parameters of the inflationary potential, using the available limits on βPBH.

Comparative study of quantal and semiclassical treatments of charge transfer between O+ and He

NASA Astrophysics Data System (ADS)

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

2009-03-01

A comparative study for the electron capture process O+(S40,D20,P20)+He→O(P3)+He+ is reported. The cross sections are calculated using fully quantal and semiclassical molecular-orbital close-coupling (MOCC) approaches in the adiabatic representation. Detailed comparison of transition probabilities and cross sections is made from both MOCC approaches and displays close agreement above ˜125eV/u . The remarkable discrepancies between the earlier semiclassical and quantal MOCC approaches may be attributed to the insufficient step-size resolution in their semiclassical calculation [M. Kimura , Phys. Rev. A 50, 4854 (1994)]. Our results have also been compared with experiment and found to be in good agreement.

Positive parity low spin states of odd-mass tellurium isotopes

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

Yazar, Harun Resit

2006-11-15

In this work, we analyse the positive parity of states of odd-mass nucleus within the framework of interacting boson fermion model. The result of an IBFM-1 multilevel calculation with the lg{sub 9/2}, 2d{sub 5/2}, 2d{sub 3/2}, 3s{sub 1/2} and one level, 1h{sub 11/2} with negative parity, single particle orbits is reported for the positive parity states of the odd mass nucleus {sup 123-125}Te. Also, an IBM-1 calculation is presented for the low-lying states in the even-even {sup 124-126}Te core nucleus. The energy levels and B (E2) transition probabilities were calculated and compared with the experimental data. It was found thatmore » the calculated positive parity low spin state energy spectra of the odd-mass {sup 123-125}Te isotopes agree quite well with the experimental data.« less

Optical spectra and emission characteristics of terbium-doped potassium-lead double chloride crystals (KPb2Cl5:Tb3+)

NASA Astrophysics Data System (ADS)

Tkachuk, A. M.; Ivanova, S. E.; Mirzaeva, A. A.; Isaenko, L. I.

2017-05-01

Optical transitions in KPb2Cl5:Tb3+ crystals are studied experimentally and theoretically. The absorption cross-section spectra are plotted and the oscillator strengths of transitions from the ground terbium state to excited multiplets are determined. Intensity parameters Ωt for KPC:Tb3+ are determined by the Judd-Ofelt method to be Ω2 = 2.70 × 10-20 cm2, Ω4 = 7.0 × 10-20 cm2, and Ω6 = 0.72 × 10-20 cm2. These values were used to calculate such characteristics of spontaneous radiative transitions as oscillator strengths, probabilities of radiative transitions, and radiative lifetimes. The emission spectra of KPb2Cl5:Tb3+ crystals upon UV excitation and the decay kinetics of luminescence from the excited 5 D 3 and 5 D 4 levels are studied experimentally, the lifetimes of these levels are determined, and the dependences of the rates of nonradiative relaxation from the excited 7 F j ( j = 0-5), 5 D 4, and 5 D 3 levels to lower-lying terbium levels are calculated. It is shown that the population of the 5 D 4 level in KPC:Tb3+ crystals occurs according to a cascade scheme, which leads to quenching of the 5 D 3 level. The calculated data agree well with the known experimental rates of multiphonon nonradiative transitions for Dy:KPC, Nd:KPC, Er:KPC, Tb:KPB, and Nd:KPB crystals. It is shown that transitions in the near-IR (3-6 μm) region in double halide crystals (MPb2Hal5) are almost unquenched and the rates of nonradiative relaxation of excited levels spaced by energy gaps Δ E ji > 1000 cm-1 are W ji NR < 103s-1. This circumstance suggests that it is possible to obtain stimulated emission in KPb2Cl5:RE3+ crystals in the IR spectral region up to 6 μm.

Transition probabilities for general birth-death processes with applications in ecology, genetics, and evolution

PubMed Central

Crawford, Forrest W.; Suchard, Marc A.

2011-01-01

A birth-death process is a continuous-time Markov chain that counts the number of particles in a system over time. In the general process with n current particles, a new particle is born with instantaneous rate λn and a particle dies with instantaneous rate μn. Currently no robust and efficient method exists to evaluate the finite-time transition probabilities in a general birth-death process with arbitrary birth and death rates. In this paper, we first revisit the theory of continued fractions to obtain expressions for the Laplace transforms of these transition probabilities and make explicit an important derivation connecting transition probabilities and continued fractions. We then develop an efficient algorithm for computing these probabilities that analyzes the error associated with approximations in the method. We demonstrate that this error-controlled method agrees with known solutions and outperforms previous approaches to computing these probabilities. Finally, we apply our novel method to several important problems in ecology, evolution, and genetics. PMID:21984359

Hydrogeologic Unit Flow Characterization Using Transition Probability Geostatistics

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

Jones, N L; Walker, J R; Carle, S F

2003-11-21

This paper describes a technique for applying the transition probability geostatistics method for stochastic simulation to a MODFLOW model. Transition probability geostatistics has several advantages over traditional indicator kriging methods including a simpler and more intuitive framework for interpreting geologic relationships and the ability to simulate juxtapositional tendencies such as fining upwards sequences. The indicator arrays generated by the transition probability simulation are converted to layer elevation and thickness arrays for use with the new Hydrogeologic Unit Flow (HUF) package in MODFLOW 2000. This makes it possible to preserve complex heterogeneity while using reasonably sized grids. An application of themore » technique involving probabilistic capture zone delineation for the Aberjona Aquifer in Woburn, Ma. is included.« less

The Effect of the Spin-Forbidden Co((sup 1) Sigma plus) plus O((sup 3) P) Yields CO2 (1 Sigma (sub G) plus) Recombination Reaction on Afterbody Heating of Mars Entry Vehicles

NASA Technical Reports Server (NTRS)

Xu, Lu T.; Jaffe, Richard L.; Schwenke, David W.; Panesi, Marco

2017-01-01

Vibrationally excited CO2, formed by two-body recombination from CO((sup 1) sigma plus) and O((sup 3) P) in the wake behind spacecraft entering the Martian atmosphere reaction, is potentially responsible for the higher than anticipated radiative heating of the backshell, compared to pre-flight predictions. This process involves a spin-forbidden transition of the transient triplet CO2 molecule to the longer-lived singlet. To accurately predict the singlet-triplet transition probability and estimate the thermal rate coefficient of the recombination reaction, ab initio methods were used to compute the first singlet and three lowest triplet CO2 potential energy surfaces and the spin-orbit coupling matrix elements between these states. Analytical fits to these four potential energy surfaces were generated for surface hopping trajectory calculations, using Tully's fewest switches surface hopping algorithm. Preliminary results for the trajectory calculations are presented. The calculated probability of a CO((sup 1) sigma plus) and O((sup 3) P) collision leading to singlet CO2 formation is on the order of 10 (sup -4). The predicted flowfield conditions for various Mars entry scenarios predict temperatures in the range of 1000 degrees Kelvin - 4000 degrees Kelvin and pressures in the range of 300-2500 pascals at the shoulder and in the wake, which is consistent with a heavy-particle collision frequency of 10 (sup 6) to 10 (sup 7) per second. Owing to this low collision frequency, it is likely that CO((sup 1) sigma plus) molecules formed by this mechanism will mostly be frozen in a highly nonequilibrium rovibrational energy state until they relax by photoemission.

A comparison between semi-spheroid- and dome-shaped quantum dots coupled to wetting layer

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

Shahzadeh, Mohammadreza; Sabaeian, Mohammad, E-mail: Sabaeian@scu.ac.ir

2014-06-15

During the epitaxial growth method, self-assembled semi-spheroid-shaped quantum dots (QDs) are formed on the wetting layer (WL). However for sake of simplicity, researchers sometimes assume semi-spheroid-shaped QDs to be dome-shaped (hemisphere). In this work, a detailed and comprehensive study on the difference between electronic and transition properties of dome- and semi-spheroid-shaped quantum dots is presented. We will explain why the P-to-S intersubband transition behaves the way it does. The calculated results for intersubband P-to-S transition properties of quantum dots show two different trends for dome-shaped and semi-spheroid-shaped quantum dots. The results are interpreted using the probability of finding electron insidemore » the dome/spheroid region, with emphasis on the effects of wetting layer. It is shown that dome-shaped and semi-spheroid-shaped quantum dots feature different electronic and transition properties, arising from the difference in lateral dimensions between dome- and semi-spheroid-shaped QDs. Moreover, an analogy is presented between the bound S-states in the quantum dots and a simple 3D quantum mechanical particle in a box, and effective sizes are calculated. The results of this work will benefit researchers to present more realistic models of coupled QD/WL systems and explain their properties more precisely.« less

Thz and Long Path Fourier Transform Spectroscopy of Methanol; Torsionally Coupled High-K Levels

NASA Astrophysics Data System (ADS)

Pearson, John C.; Yu, Shanshan; Drouin, Brian J.; Lees, Ronald M.; Xu, Li-Hong; Billinghurst, Brant E.

2012-06-01

Methanol is nearly ubiquitous in the interstellar gas. The presence of both a-type and b-type dipole moments, asymmetry, and internal rotation assure that any small astronomical observation window will contain multiple methanol transitions. This often allows a great deal about the local physical conditions to be deduced, but only insofar as the spectra are characterized. The Herschel Space Observatory has detected numerous, clearly beam diluted, methanol transitions with quanta surpassing J = 35 in many regions. Unfortunately, observations of methanol often display strong non-thermal behavior whose modeling requires many additional levels to be included in a radiative transfer analysis. Additionally, the intensities of many more highly excited transitions are strongly dependent on the accuracy of the wave functions used in the calculation. We report a combined Fourier Transform Infrared and THz study targeting the high J and K transitions in the ground torsional manifold. Microwave accuracy energy levels have been derived to J > 40 and K as high as 20. These levels illuminate a number of strongly resonant torsional interactions that dominate the high K spectrum of the molecule. Comparison with levels calculated from the rho-axis method Hamiltonian suggest that the rho-axis method should be able to model v_t = 0, 1 and probably v_t = 2 to experimental accuracy. The challenges in determining methanol wave functions to experimental accuracy will be discussed.

Reduced probabilities for E2 transitions between excited collective states of triaxial even–even nuclei

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

Nadyrbekov, M. S., E-mail: nodirbekov@inp.uz; Bozarov, O. A.

Reduced probabilities for intra- and interband E2 transitions in excited collective states of even–even lanthanide and actinide nuclei are analyzed on the basis of a model that admits an arbitrary triaxiality. They are studied in detail in the energy spectra of {sup 154}Sm, {sup 156}Gd, {sup 158}Dy, {sup 162,164}Er, {sup 230,232}Th, and {sup 232,234,236,238}U even–even nuclei. Theoretical and experimental values of the reduced probabilities for the respective E2 transitions are compared. This comparison shows good agreement for all states, including high-spin ones. The ratios of the reduced probabilities for the E2 transitions in question are compared with results following frommore » the Alaga rules. These comparisons make it possible to assess the sensitivity of the probabilities being considered to the presence of quadrupole deformations.« less

Bidirectional Classical Stochastic Processes with Measurements and Feedback

NASA Technical Reports Server (NTRS)

Hahne, G. E.

2005-01-01

A measurement on a quantum system is said to cause the "collapse" of the quantum state vector or density matrix. An analogous collapse occurs with measurements on a classical stochastic process. This paper addresses the question of describing the response of a classical stochastic process when there is feedback from the output of a measurement to the input, and is intended to give a model for quantum-mechanical processes that occur along a space-like reaction coordinate. The classical system can be thought of in physical terms as two counterflowing probability streams, which stochastically exchange probability currents in a way that the net probability current, and hence the overall probability, suitably interpreted, is conserved. The proposed formalism extends the . mathematics of those stochastic processes describable with linear, single-step, unidirectional transition probabilities, known as Markov chains and stochastic matrices. It is shown that a certain rearrangement and combination of the input and output of two stochastic matrices of the same order yields another matrix of the same type. Each measurement causes the partial collapse of the probability current distribution in the midst of such a process, giving rise to calculable, but non-Markov, values for the ensuing modification of the system's output probability distribution. The paper concludes with an analysis of a classical probabilistic version of the so-called grandfather paradox.

A Markov decision process for managing habitat for Florida scrub-jays

USGS Publications Warehouse

Johnson, Fred A.; Breininger, David R.; Duncan, Brean W.; Nichols, James D.; Runge, Michael C.; Williams, B. Ken

2011-01-01

Florida scrub-jays Aphelocoma coerulescens are listed as threatened under the Endangered Species Act due to loss and degradation of scrub habitat. This study concerned the development of an optimal strategy for the restoration and management of scrub habitat at Merritt Island National Wildlife Refuge, which contains one of the few remaining large populations of scrub-jays in Florida. There are documented differences in the reproductive and survival rates of scrubjays among discrete classes of scrub height (<120 cm or "short"; 120-170 cm or "optimal"; .170 cm or "tall"; and a combination of tall and optimal or "mixed"), and our objective was to calculate a state-dependent management strategy that would maximize the long-term growth rate of the resident scrub-jay population. We used aerial imagery with multistate Markov models to estimate annual transition probabilities among the four scrub-height classes under three possible management actions: scrub restoration (mechanical cutting followed by burning), a prescribed burn, or no intervention. A strategy prescribing the optimal management action for management units exhibiting different proportions of scrub-height classes was derived using dynamic programming. Scrub restoration was the optimal management action only in units dominated by mixed and tall scrub, and burning tended to be the optimal action for intermediate levels of short scrub. The optimal action was to do nothing when the amount of short scrub was greater than 30%, because short scrub mostly transitions to optimal height scrub (i.e., that state with the highest demographic success of scrub-jays) in the absence of intervention. Monte Carlo simulation of the optimal policy suggested that some form of management would be required every year. We note, however, that estimates of scrub-height transition probabilities were subject to several sources of uncertainty, and so we explored the management implications of alternative sets of transition probabilities. Generally, our analysis demonstrated the difficulty of managing for a species that requires midsuccessional habitat, and suggests that innovative management tools may be needed to help ensure the persistence of scrub-jays at Merritt Island National Wildlife Refuge. The development of a tailored monitoring program as a component of adaptive management could help reduce uncertainty about controlled and uncontrolled variation in transition probabilities of scrub-height and thus lead to improved decision making.

A photometric search for transiting planets

NASA Astrophysics Data System (ADS)

Baliber, Nairn Reese

In the decade since the discovery of the first planet orbiting a main-sequence star other than the Sun, more than 160 planets have been detected in orbit around other stars, most of them discovered by measuring the velocity of the reflexive motion of their parent stars caused by the gravitational pull of the planets. These discoveries produced a population of planets much different to the ones in our Solar System and created interest in other methods to detect these planets. One such method is searching for transits, the slight photometric dimming of stars caused by a close-orbiting, Jupiter-sized planet passing between a star and our line of sight once per orbit. We report results from TeMPEST, the Texas, McDonald Photometric Extrasolar Search for Transits, a transit survey conducted with the McDonald Observatory 0.76 m Prime Focus Corrector (PFC). We monitored five fields of stars in the plane of the Milky Way over the course of two and a half years. We created a photometry pipeline to perform high-precision differential photometry on all of the images, and used a software detection algorithm to detect transit signals in the light curves. Although no transits were found, we calculated our detection probability by determining the fraction of the stars monitored by TeMPEST which were suitable to show transits, measuring the probability of detecting transit signals based on the temporal coverage of our fields, and measuring our detection efficiency by inserting false transits into TeMPEST data to see what fraction could be recovered by our automatic detection software. We conclude that in our entire data set, we generated an effective sample of 2660 stars, a sample in which if any star is showing a transit, it would have been detected. We found no convincing transits in our data, but current statistics from radial velocity surveys indicate that only one in about 1300 of these stars should be showing transits. These numbers are consistent with the lack of transits produced by TeMPEST and the small number of transits generated by other surveys. We therefore discuss methods by which a transit survey's effective sample may be increased to make such surveys productive in a reasonable amount of time.

VizieR Online Data Catalog: KOI transit probabilities of multi-planet syst. (Brakensiek+, 2016)

NASA Astrophysics Data System (ADS)

Brakensiek, J.; Ragozzine, D.

2016-06-01

Using CORBITS, we computed the transit probabilities of all the KOIs with at least three candidate or confirmed transiting planets and report the results in Table 2 for a variety of inclination distributions. See section 4.6. (1 data file).

Impulsive synchronization of Markovian jumping randomly coupled neural networks with partly unknown transition probabilities via multiple integral approach.

PubMed

Chandrasekar, A; Rakkiyappan, R; Cao, Jinde

2015-10-01

This paper studies the impulsive synchronization of Markovian jumping randomly coupled neural networks with partly unknown transition probabilities via multiple integral approach. The array of neural networks are coupled in a random fashion which is governed by Bernoulli random variable. The aim of this paper is to obtain the synchronization criteria, which is suitable for both exactly known and partly unknown transition probabilities such that the coupled neural network is synchronized with mixed time-delay. The considered impulsive effects can be synchronized at partly unknown transition probabilities. Besides, a multiple integral approach is also proposed to strengthen the Markovian jumping randomly coupled neural networks with partly unknown transition probabilities. By making use of Kronecker product and some useful integral inequalities, a novel Lyapunov-Krasovskii functional was designed for handling the coupled neural network with mixed delay and then impulsive synchronization criteria are solvable in a set of linear matrix inequalities. Finally, numerical examples are presented to illustrate the effectiveness and advantages of the theoretical results. Copyright © 2015 Elsevier Ltd. All rights reserved.

Transition probability, dynamic regimes, and the critical point of financial crisis

NASA Astrophysics Data System (ADS)

Tang, Yinan; Chen, Ping

2015-07-01

An empirical and theoretical analysis of financial crises is conducted based on statistical mechanics in non-equilibrium physics. The transition probability provides a new tool for diagnosing a changing market. Both calm and turbulent markets can be described by the birth-death process for price movements driven by identical agents. The transition probability in a time window can be estimated from stock market indexes. Positive and negative feedback trading behaviors can be revealed by the upper and lower curves in transition probability. Three dynamic regimes are discovered from two time periods including linear, quasi-linear, and nonlinear patterns. There is a clear link between liberalization policy and market nonlinearity. Numerical estimation of a market turning point is close to the historical event of the US 2008 financial crisis.

Transition probabilities of Br II

NASA Technical Reports Server (NTRS)

Bengtson, R. D.; Miller, M. H.

1976-01-01

Absolute transition probabilities of the three most prominent visible Br II lines are measured in emission. Results compare well with Coulomb approximations and with line strengths extrapolated from trends in homologous atoms.

Plant calendar pattern based on rainfall forecast and the probability of its success in Deli Serdang regency of Indonesia

NASA Astrophysics Data System (ADS)

Darnius, O.; Sitorus, S.

2018-03-01

The objective of this study was to determine the pattern of plant calendar of three types of crops; namely, palawija, rice, andbanana, based on rainfall in Deli Serdang Regency. In the first stage, we forecasted rainfall by using time series analysis, and obtained appropriate model of ARIMA (1,0,0) (1,1,1)12. Based on the forecast result, we designed a plant calendar pattern for the three types of plant. Furthermore, the probability of success in the plant types following the plant calendar pattern was calculated by using the Markov process by discretizing the continuous rainfall data into three categories; namely, Below Normal (BN), Normal (N), and Above Normal (AN) to form the probability transition matrix. Finally, the combination of rainfall forecasting models and the Markov process were used to determine the pattern of cropping calendars and the probability of success in the three crops. This research used rainfall data of Deli Serdang Regency taken from the office of BMKG (Meteorologist Climatology and Geophysics Agency), Sampali Medan, Indonesia.

Role of nuclear charge change and nuclear recoil on shaking processes and their possible implication on physical processes

NASA Astrophysics Data System (ADS)

Sharma, Prashant

2017-12-01

The probable role of the sudden nuclear charge change and nuclear recoil in the shaking processes during the neutron- or heavy-ion-induced nuclear reactions and weakly interacting massive particle-nucleus scattering has been investigated in the present work. Using hydrogenic wavefunctions, general analytical expressions of survival, shakeup/shakedown, and shakeoff probability have been derived for various subshells of hydrogen-like atomic systems. These expressions are employed to calculate the shaking, shakeup/shakedown, and shakeoff probabilities in some important cases of interest in the nuclear astrophysics and the dark matter search experiments. The results underline that the shaking processes are one of the probable channels of electronic transitions during the weakly interacting massive particle-nucleus scattering, which can be used to probe the dark matter in the sub-GeV regime. Further, it is found that the shaking processes initiating due to nuclear charge change and nuclear recoil during the nuclear reactions may influence the electronic configuration of the participating atomic systems and thus may affect the nuclear reaction measurements at astrophysically relevant energies.

Steady-state distributions of probability fluxes on complex networks

NASA Astrophysics Data System (ADS)

Chełminiak, Przemysław; Kurzyński, Michał

2017-02-01

We consider a simple model of the Markovian stochastic dynamics on complex networks to examine the statistical properties of the probability fluxes. The additional transition, called hereafter a gate, powered by the external constant force breaks a detailed balance in the network. We argue, using a theoretical approach and numerical simulations, that the stationary distributions of the probability fluxes emergent under such conditions converge to the Gaussian distribution. By virtue of the stationary fluctuation theorem, its standard deviation depends directly on the square root of the mean flux. In turn, the nonlinear relation between the mean flux and the external force, which provides the key result of the present study, allows us to calculate the two parameters that entirely characterize the Gaussian distribution of the probability fluxes both close to as well as far from the equilibrium state. Also, the other effects that modify these parameters, such as the addition of shortcuts to the tree-like network, the extension and configuration of the gate and a change in the network size studied by means of computer simulations are widely discussed in terms of the rigorous theoretical predictions.

Deterioration and cost information for bridge management.

DOT National Transportation Integrated Search

2012-05-01

This study applies contract bid tabulations and elementlevel condition records to develop elementlevel actions, : costs for actions, transition probabilities for models of deterioration of bridge elements, and transition probabilities : for imp...

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N I

NASA Astrophysics Data System (ADS)

Tayal, S. S.

2006-03-01

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N I lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strengths over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s22p3 4So, 2Do, 2Po, 2s2p4 4P, 2s22p23s 4P, and 2P terms and from these levels to the levels of the 2s22p23p 2So, 4Do, 4Po, 4So, 2Do, 2Po, 2s22p23s 2D, 2s22p24s 4P, 2P, 2s22p23d 2P, 4F, 2F, 4P, 4D, and 2D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Step Towards Modeling the Atmosphere of Titan: State-Selected Reactions of O+ with Methane.

PubMed

Hrušák, J; Paidarová, I

2016-11-01

Methane conversion and in particular the formation of the C-O bond is one of fundamental entries to organic chemistry and it appears to be essential for understanding parts of atmospheric chemistry of Titan, but, in broader terms it might be also relevant for Earth-like exoplanets. Theoretical study of the reactions of methane with atomic oxygen ion in its excited electronic states requires treating simultaneously at least 19 electronic states. Development of a computational strategy that would allow chemically reasonable and computationally feasible treatment of the CH 4 (X)/O + ( 2 D, 2 P) system is by far not trivial and it requires careful examination of all the complex features of the corresponding 19 potential energy surfaces. Before entering the discussion of the rich (photo) chemistry, inspection of the long range behavior of the system with focus on electric dipole transition moments is required. Our calculations show nonzero probability for the reactants to decay before entering the multiple avoided crossings region of the [CH 4  + O → products] + reaction. For the CH 4 /O + ( 2 P) system non-zero transition moment probabilities occur over the entire range of considered C-O distances (up to 15 Å), while for the CH 4 /O + ( 2 D) system these probabilities are lower by one order of magnitude and were found only at C-O distances smaller than 6 Å.

Hydrometer in the mantle: dln(Vs)/dln(Vp)

NASA Astrophysics Data System (ADS)

Li, L.; Weidner, D. J.

2010-12-01

The absorption of water into nominally non-hydrous phases is the probable storage mechanism of hydrogen throughout most of the mantle. Thus the water capacity in the mantle is greatest in the transition zone owing to the large water-solubility of ringwoodite and wadsleyite. However, the actual amount of water that is stored there is highly uncertain. Since water is probably brought down by subduction activity, it’s abundance is probably laterally variable. Thus, a metric that is sensitive to variations of water content are good candidates for hydrometers. Here we evaluate the parameter, dln(Vs)/dln(Vp), as such a parameter. It is useful to detect lateral variations of water if the effects of hydration on the parameter are different than those of temperature or composition. We compare the value of dln(Vs)/dln(Vp) due to the temperature with that due to the water content as a function of depth for the upper mantle. We have calculated dln(Vs)/dln(Vp) due to both water and temperature using a density functional theory approach, and available experimental data. Our results indicate that dln(Vs)/dln(Vp) due to water is distinguishable from dln(Vs)/dln(Vp) due to temperature or variations in iron content, particularly in ringwoodite. The difference increases with depth and making the lower part of the transition zone most identifiable as a water reservoir.

Prospective prediction of children's smoking transitions: role of parents' and older siblings' smoking.

PubMed

Bricker, Jonathan B; Peterson, Arthur V; Leroux, Brian G; Andersen, M Robyn; Rajan, K Bharat; Sarason, Irwin G

2006-01-01

To use a novel social epidemic probability model to investigate longitudinally the extent to which parents' and older siblings' smoking predict children's smoking transitions. Parents' and older siblings' smoking status was assessed when children were in 3rd grade (baseline). Three smoking transitions were assessed over the period of child/adolescent smoking acquisition (up to 12th grade): (1) transition from never smoking to trying smoking, (2) transition from trying to monthly smoking and (3) transition from monthly to daily smoking. Forty Washington State school districts participating in the long term Hutchinson Smoking Prevention Project (HSPP). Participants were the 5520 families for whom data on both parents' and older siblings' baseline smoking status, as well as on children's smoking transitions, were available. The probability that a smoking parent influenced their child to make the first transition to trying smoking was 32% (95% CI: 27%, 36%); to make the second transition from trying to monthly smoking, 15% (95% CI: 10%, 19%); and to make the third transition from monthly to daily smoking, 28% (95% CI: 21%, 34%). The probability that an older sibling influenced a child to make the first transition to trying smoking was 29% (95% CI: 17%, 39%); to make the second transition from trying to monthly smoking, 0% (95% CI: 0%, 8%); and to make the third transition from monthly to daily smoking, 20% (95% CI: 4%, 33%). In contrast to previous research, the results provide new evidence suggesting that family smoking influences both initiation and escalation of children's smoking. Results also quantify, in terms of probabilities, the importance of parents' and older siblings' smoking on children's three major smoking transitions. Parents' smoking, as well as older siblings' smoking, are important behaviors to target in preventing adolescents from making smoking transitions.

Multipartite entanglement characterization of a quantum phase transition

NASA Astrophysics Data System (ADS)

Costantini, G.; Facchi, P.; Florio, G.; Pascazio, S.

2007-07-01

A probability density characterization of multipartite entanglement is tested on the one-dimensional quantum Ising model in a transverse field. The average and second moment of the probability distribution are numerically shown to be good indicators of the quantum phase transition. We comment on multipartite entanglement generation at a quantum phase transition.

Study of the physical properties of Ge-S-Ga glassy alloy

NASA Astrophysics Data System (ADS)

Rana, Anjli; Sharma, Raman

2018-05-01

In the present work, we have studied the effect of Ga doping on the physical properties of Ge20S80-xGax glassy alloy. The basic physical parameters which have important role in determining the structure and strength of the material viz. average coordination number, lone-pair electrons, mean bond energy, glass transition temperature, electro negativity, probabilities for bond distribution and cohesive energy have been computed theoretically for Ge-S-Ga glassy alloy. Here, the glass transition temperature and mean bond energy have been investigated using the Tichy-Ticha approach. The cohesive energy has been calculated by using chemical bond approach (CBA) method. It has been found that while average coordination number increases, all the other parameters decrease with the increase in Ga content in Ge-S-Ga system.

Stochastic sensitivity of a bistable energy model for visual perception

NASA Astrophysics Data System (ADS)

Pisarchik, Alexander N.; Bashkirtseva, Irina; Ryashko, Lev

2017-01-01

Modern trends in physiology, psychology and cognitive neuroscience suggest that noise is an essential component of brain functionality and self-organization. With adequate noise the brain as a complex dynamical system can easily access different ordered states and improve signal detection for decision-making by preventing deadlocks. Using a stochastic sensitivity function approach, we analyze how sensitive equilibrium points are to Gaussian noise in a bistable energy model often used for qualitative description of visual perception. The probability distribution of noise-induced transitions between two coexisting percepts is calculated at different noise intensity and system stability. Stochastic squeezing of the hysteresis range and its transition from positive (bistable regime) to negative (intermittency regime) are demonstrated as the noise intensity increases. The hysteresis is more sensitive to noise in the system with higher stability.

Pressure-induced electronic topological transitions in the charge-density-wave material In 4 Se 3

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

Zhang, Yuhang; Song, Liyan; Shao, Xuecheng

2017-08-01

High-pressure in situ angle dispersive X-ray diffraction (ADXRD) measurements were performed on the charge-density-wave (CDW) material In4Se3 up to 48.8 GPa. Pressure-induced structural changes were observed at 7.0 and 34.2 GPa, respectively. Using the CALYPSO methodology, the first high-pressure phase was solved as an exotic Pca21 structure. The compressional behaviors of the initial Pnnm and the Pca21 phases were all determined. Combined with first-principle calculations, we find that, unexpectedly, the Pnnm phase probably experiences twice electronic topological transitions (ETTs), from the initial possible CDW state to a semimetallic state at about 2.3 GPa and then back to a possible CDWmore » state at around 3.5 GPa, which was uncovered for the first time in CDW systems. In the both possible CDW states, pressure provokes a decrease of band-gap. The observation of a bulk metallic state was ascribed to structural transition to the Pca21 phase. Besides, based on electronic band structure calculations, the thermoelectric property of the Pnnm phase under compression was discussed. Our results show that pressure play a dramatic role in tuning In4Se3's structure and transport properties.« less

Optical absorption and photoluminescence properties of Nd3+ doped mixed alkali phosphate glasses-spectroscopic investigations.

PubMed

Ratnakaram, Y C; Srihari, N V; Kumar, A Vijaya; Naidu, D Thirupathi; Chakradhar, R P S

2009-02-01

Spectroscopic investigations were performed on 68NH(4)H(2)PO(4).xLi(2)CO(3)(30-x)K(2)CO(3) and 68NH(4)H(2)PO(4).xNa(2)CO(3)(30-x)K(2)CO(3) (where x=5, 10, 15, 20 and 25) glasses containing 2 mol% Nd(2)O(3). Various spectroscopic parameters (Racah (E(1), E(2), E(3)), spin-orbit (xi(4f)) and configuration interaction (alpha)) are reported. Judd-Ofelt intensity parameters (Omega(2), Omega(4), Omega(6)) are calculated for Nd(3+) doped two mixed alkali phosphate glass matrices. From the magnitude of Judd-Ofelt parameters, covalency is studied as a function of x in the glass matrix. Using Judd-Ofelt intensity parameters, total radiative transition probabilities (A(T)), radiative lifetimes (tau(R)), branching ratios (beta) and integrated absorption cross sections (Sigma) have been computed for certain excited states of Nd(3+) in these mixed alkali phosphate glasses. Emission cross sections (sigma(P)) are calculated for the two transitions, (4)G(7/2)-->(4)I(11/2) and (4)G(7/2)-->(4)I(13/2) of Nd(3+) in these mixed alkali phosphate glasses. Optical band gaps (E(opt)) for direct and indirect transitions are reported.

Reexamining the role of the (n ,γ f ) process in the low-energy fission of 235U and 239Pu

NASA Astrophysics Data System (ADS)

Lynn, J. E.; Talou, P.; Bouland, O.

2018-06-01

The (n ,γ f ) process is reviewed in light of modern nuclear reaction calculations in both slow and fast neutron-induced fission reactions on 235U and 239Pu. Observed fluctuations of the average prompt fission neutron multiplicity and average total γ -ray energy below 100-eV incident neutron energy are interpreted in this framework. The surprisingly large contribution of the M 1 transitions to the prefission γ -ray spectrum of 239Pu is explained by the dominant fission probabilities of 0+ and 2+ transition states, which can only be accessed from compound nucleus states formed by the interaction of s -wave neutrons with the target nucleus in its ground state, and decaying through M 1 transitions. The impact of an additional low-lying M 1 scissors mode in the photon strength function is analyzed. We review experimental evidence for fission fragment mass and kinetic-energy fluctuations in the resonance region and their importance in the interpretation of experimental data on prompt neutron data in this region. Finally, calculations are extended to the fast energy range where (n ,γ f ) corrections can account for up to 3% of the total fission cross section and about 20% of the capture cross section.

Does the finite size of the proto-neutron star preclude supernova neutrino flavor scintillation due to turbulence?

DOE PAGES

Kneller, James P.; Mauney, Alex W.

2013-08-23

Here, the transition probabilities describing the evolution of a neutrino with a given energy along some ray through a turbulent supernova profile are random variates unique to each ray. If the proto-neutron-star source of the neutrinos were a point, then one might expect the evolution of the turbulence would cause the flavor composition of the neutrinos to vary in time i.e. the flavor would scintillate. But in reality the proto-neutron star is not a point source—it has a size of order ˜10km, so the neutrinos emitted from different points at the source will each have seen different turbulence. The finitemore » source size will reduce the correlation of the flavor transition probabilities along different trajectories and reduce the magnitude of the flavor scintillation. To determine whether the finite size of the proto-neutron star will preclude flavor scintillation, we calculate the correlation of the neutrino flavor transition probabilities through turbulent supernova profiles as a function of the separation δx between the emission points. The correlation will depend upon the power spectrum used for the turbulence, and we consider two cases: when the power spectrum is isotropic, and the more realistic case of a power spectrum which is anisotropic on large scales and isotropic on small. Although it is dependent on a number of uncalibrated parameters, we show the supernova neutrino source is not of sufficient size to significantly blur flavor scintillation in all mixing channels when using an isotropic spectrum, and this same result holds when using an anisotropic spectrum, except when we greatly reduce the similarity of the turbulence along parallel trajectories separated by ˜10km or less.« less

Excitation of atoms and ions in plasmas by ultra-short electromagnetic pulses

NASA Astrophysics Data System (ADS)

Astapenko, V. A.; Sakhno, S. V.; Svita, S. Yu; Lisitsa, V. S.

2017-02-01

The problem of atoms and ions diagnostics in rarefied and dense plasmas by ultrashort laser pulses (USP) is under consideration. The application of USP provides: 1) excitation from ground states due to their carrier frequency high enough, 2) penetration into optically dense media due to short pulses duration. The excitation from ground atomic states increases sharply populations of excited atomic states in contrast with standard laser induced fluorescence spectroscopy based on radiative transitions between excited atomic states. New broadening parameter in radiation absorption, namely inverse pulse duration time 1/τ appears in addition to standard line-shape width in the profile G(ω). The Lyman-beta absorption spectra for USP are calculated for Holtsmark static broadening mechanism. Excitation of highly charged H-like ions in hot plasmas is described by both Gaussian shapes for Doppler broadening and pulse spectrum resulting in analytical absorption line-shape. USP penetration into optically thick media and corresponding excitation probability are calculated. It is shown a great effect of USP duration on excitation probabilities in optically thick media. The typical situations for plasma diagnostics by USP are discussed in details.

Er{sup 3+}-doped strontium lithium bismuth borate glasses for broadband 1.5 {mu}m emission - optical properties

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

Rajesh, D.; Balakrishna, A.; Ratnakaram, Y. C.

2013-02-05

Strontium lithium bismuth borate glasses (SLBiB) doped with various concentrations of Er{sup 3+} were prepared using conventional melt quench technique and investigated their optical properties. The amorphous nature of the prepared glass samples was confirmed by X-ray diffraction and SEM analysis. Optical properties were studied by measuring the optical absorption and near infrared luminescence spectra at room temperature. Judd-Ofelt (J-O) theory has been applied for the f.f transitions of Er{sup 3+} ions to evaluate J-O intensity parameters, {Omega}{lambda} ({lambda} = 2, 4 and 6). Using the J-O intensity parameters, radiative properties such as transition probabilities (A{sub R}), branching ratios ({beta})more » and radiative lifetimes ({tau}) are estimated for certain transitions. From the emission spectra, peak emission-cross sections ({sigma}{sub p}) and products of stimulated emission cross-section and full width at half maximum ({sigma}{sub p} Multiplication-Sign FWHM) were calculated for the observed emission transition, {sup 4}I{sub 13/2}{yields}{sup 4}I{sub 15/2}.« less

Red light emission from europium doped zinc sodium bismuth borate glasses

NASA Astrophysics Data System (ADS)

Hegde, Vinod; Viswanath, C. S. Dwaraka; Upadhyaya, Vyasa; Mahato, K. K.; Kamath, Sudha D.

2017-12-01

Zinc sodium bismuth borate (ZNBB) glasses doped with different concentrations of europium were prepared by conventional melt quenching method and characterized through the measurements of density, refractive index, X-ray diffraction (XRD), Fourier Transform Infrared (FTIR) spectra, optical absorption, luminescence and radiative lifetimes. FTIR spectra showed seven characteristic peaks of bismuth and borate functional groups in the range of 400-1600 cm-1. The optical band gap and bonding parameters have been calculated from absorption spectra. Photoluminescence spectra recorded in the visible region with 394 nm excitation are used to calculate the Judd-Ofelt (JO) intensity parameters (Ω2 and Ω4). The JO intensity parameters have been used to calculate the radiative parameters such as branching ratio (β), stimulated emission cross-section (σse), transition probability (A) for the fluorescent level of 5D0→7F2. Decay rates through single exponential are used to calculate the lifetime (τm) of the meta-stable state 5D0 of (Eu3+ ion) these glasses. The radiative parameters measured for all these glasses show 0.7 mol% europium doped zinc sodium bismuth borate glass 5D0→7F2 transition has the potential for red laser applications. The quality of the colour emitted by the present glasses are estimated quantitatively by CIE chromaticity coordinates, which confirms the suitability of these glasses as a red emitting material for field emission technologies and LEDs.

Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension.

PubMed

Greene, Samuel M; Shan, Xiao; Clary, David C

2016-06-28

Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives are obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.

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

Zhu, Lin; Dai, Zhenxue; Gong, Huili

Understanding the heterogeneity arising from the complex architecture of sedimentary sequences in alluvial fans is challenging. This study develops a statistical inverse framework in a multi-zone transition probability approach for characterizing the heterogeneity in alluvial fans. An analytical solution of the transition probability matrix is used to define the statistical relationships among different hydrofacies and their mean lengths, integral scales, and volumetric proportions. A statistical inversion is conducted to identify the multi-zone transition probability models and estimate the optimal statistical parameters using the modified Gauss–Newton–Levenberg–Marquardt method. The Jacobian matrix is computed by the sensitivity equation method, which results in anmore » accurate inverse solution with quantification of parameter uncertainty. We use the Chaobai River alluvial fan in the Beijing Plain, China, as an example for elucidating the methodology of alluvial fan characterization. The alluvial fan is divided into three sediment zones. In each zone, the explicit mathematical formulations of the transition probability models are constructed with optimized different integral scales and volumetric proportions. The hydrofacies distributions in the three zones are simulated sequentially by the multi-zone transition probability-based indicator simulations. Finally, the result of this study provides the heterogeneous structure of the alluvial fan for further study of flow and transport simulations.« less

Analysis and design of a second-order digital phase-locked loop

NASA Technical Reports Server (NTRS)

Blasche, P. R.

1979-01-01

A specific second-order digital phase-locked loop (DPLL) was modeled as a first-order Markov chain with alternatives. From the matrix of transition probabilities of the Markov chain, the steady-state phase error of the DPLL was determined. In a similar manner the loop's response was calculated for a fading input. Additionally, a hardware DPLL was constructed and tested to provide a comparison to the results obtained from the Markov chain model. In all cases tested, good agreement was found between the theoretical predictions and the experimental data.

Spatial evolution of laser filaments in turbulent air

NASA Astrophysics Data System (ADS)

Zeng, Tao; Zhu, Shiping; Zhou, Shengling; He, Yan

2018-04-01

In this study, the spatial evolution properties of laser filament clusters in turbulent air were evaluated using numerical simulations. Various statistical parameters were calculated, such as the percolation probability, filling factor, and average cluster size. The results indicate that turbulence-induced multi-filamentation can be described as a new phase transition universality class. In addition, during this process, the relationship between the average cluster size and filling factor could be fit by a power function. Our results are valuable for applications involving filamentation that can be influenced by the geometrical features of multiple filaments.

On the quantum-channel capacity for orbital angular momentum-based free-space optical communications.

PubMed

Zhang, Yequn; Djordjevic, Ivan B; Gao, Xin

2012-08-01

Inspired by recent demonstrations of orbital angular momentum-(OAM)-based single-photon communications, we propose two quantum-channel models: (i) the multidimensional quantum-key distribution model and (ii) the quantum teleportation model. Both models employ operator-sum representation for Kraus operators derived from OAM eigenkets transition probabilities. These models are highly important for future development of quantum-error correction schemes to extend the transmission distance and improve date rates of OAM quantum communications. By using these models, we calculate corresponding quantum-channel capacities in the presence of atmospheric turbulence.

Groundwater age, life expectancy and transit time distributions in advective dispersive systems; 2. Reservoir theory for sub-drainage basins

NASA Astrophysics Data System (ADS)

Cornaton, F.; Perrochet, P.

2006-09-01

Groundwater age and life expectancy probability density functions (pdf) have been defined, and solved in a general three-dimensional context by means of forward and backward advection-dispersion equations [Cornaton F, Perrochet P. Groundwater age, life expectancy and transit time distributions in advective-dispersive systems; 1. Generalized reservoir theory. Adv Water Res (xxxx)]. The discharge and recharge zones transit time pdfs were then derived by applying the reservoir theory (RT) to the global system, thus considering as ensemble the union of all inlet boundaries on one hand, and the union of all outlet boundaries on the other hand. The main advantages in using the RT to calculate the transit time pdf is that the outlet boundary geometry does not represent a computational limiting factor (e.g. outlets of small sizes), since the methodology is based on the integration over the entire domain of each age, or life expectancy, occurrence. In the present paper, we extend the applicability of the RT to sub-drainage basins of groundwater reservoirs by treating the reservoir flow systems as compartments which transfer the water fluxes to a particular discharge zone, and inside which mixing and dispersion processes can take place. Drainage basins are defined by the field of probability of exit at outlet. In this way, we make the RT applicable to each sub-drainage system of an aquifer of arbitrary complexity and configuration. The case of the well-head protection problem is taken as illustrative example, and sensitivity analysis of the effect of pore velocity variations on the simulated ages is carried out.

Spectroscopic studies of Nd3+ doped lead tungsten tellurite glasses for the NIR emission at 1062 nm

NASA Astrophysics Data System (ADS)

Venkateswarlu, M.; Mahamuda, Sk.; Swapna, K.; Prasad, M. V. V. K. S.; Srinivasa Rao, A.; Mohan Babu, A.; Shakya, Suman; Vijaya Prakash, G.

2015-01-01

Lead Tungsten Tellurite (LTT) glasses doped with different concentrations of Nd3+ ions were prepared by using the melt quenching technique to study the absorption, emission and decay spectral profiles with an aim to understand the lasing potentialities of these glasses. From the absorption spectra, the Judd-Ofelt (J-O) parameters are evaluated and in turn used to calculate the transition probability (AR), total transition probability (AT), radiative lifetime (τR) and branching ratios (βR) for prominent emission levels of Nd3+. The emission spectra recorded for LTT glasses gives three emission transitions 4F3/2 → 4I9/2, 4F3/2 → 4I11/2 and 4F3/2 → 4I13/2 for which effective band widths (ΔλP) and stimulated emission cross-sections (σse) are evaluated. Branching ratios (βR) measured for all the LTT glasses show that 4F3/2 → 4I11/2 transition is quite suitable for lasing applications. The intensity of emission spectra increases with increase in the concentrations of Nd3+ up to 1.0 mol% and beyond concentration quenching is observed. Relatively higher emission cross-sections and branching ratios observed for the present LTT glasses over the reported glasses suggests the feasibility of using LTT glasses for infrared laser applications. From the absorption, emission and decay spectral measurements, it was found that 1.0 mol% of Nd3+ ion concentration is aptly suitable for LTT glasses to give a strong NIR laser emission at 1062 nm.

Lasing transition at 1.06 μm emission in Nd3+ -doped borate-based tellurium calcium zinc niobium oxide glasses for high-power solid-state lasers.

PubMed

Ravi, O; Prasad, K; Jain, Rajiv; Venkataswamy, M; Chaurasia, Shivanand; Deva Prasad Raju, B

2017-08-01

The spectroscopic properties of Tellurium Calcium Zinc Niobium oxide Borate (TCZNB) glasses of composition (in mol%) 10TeO 2  + 15CaO + 5ZnO + 10 Nb 2 O 5  + (60 - x)B 2 O 3  + Nd 2 O 3 (x = 0.1, 0.5, 1.0 or 1.5 mol%) have been investigated experimentally. The three phenomenological intensity parameters Ω 2 , Ω 4, Ω 6 have been calculated using the Judd-Ofelt theory and in turn radiative properties such as radiative transition probabilities, emission cross-sections, branching ratios and radiative lifetimes have been estimated. The trend found in the JO intensity parameter is Ω 2  > Ω 6  > Ω 4 If Ω 6  > Ω 4 , the glass system is favourable for the laser emission 4 F 3 /2  →  4 I 11 /2 in the infrared (IR) wavelength. The experimental values of branching ratio of 4 F 3 /2  →  4 I 11 /2 transition indicate favourable lasing action with low threshold power. The evaluated total radiative transition probabilities (A T ), stimulated emission cross-section (σ e ) and gain bandwidth parameters (σ e  × Δλ p ) were compared with earlier reports. An energy level analysis has been carried out considering the experimental energy positions of the absorption and emission bands. Copyright © 2016 John Wiley & Sons, Ltd.

Time-Varying Transition Probability Matrix Estimation and Its Application to Brand Share Analysis.

PubMed

Chiba, Tomoaki; Hino, Hideitsu; Akaho, Shotaro; Murata, Noboru

2017-01-01

In a product market or stock market, different products or stocks compete for the same consumers or purchasers. We propose a method to estimate the time-varying transition matrix of the product share using a multivariate time series of the product share. The method is based on the assumption that each of the observed time series of shares is a stationary distribution of the underlying Markov processes characterized by transition probability matrices. We estimate transition probability matrices for every observation under natural assumptions. We demonstrate, on a real-world dataset of the share of automobiles, that the proposed method can find intrinsic transition of shares. The resulting transition matrices reveal interesting phenomena, for example, the change in flows between TOYOTA group and GM group for the fiscal year where TOYOTA group's sales beat GM's sales, which is a reasonable scenario.

Time-Varying Transition Probability Matrix Estimation and Its Application to Brand Share Analysis

PubMed Central

Chiba, Tomoaki; Akaho, Shotaro; Murata, Noboru

2017-01-01

In a product market or stock market, different products or stocks compete for the same consumers or purchasers. We propose a method to estimate the time-varying transition matrix of the product share using a multivariate time series of the product share. The method is based on the assumption that each of the observed time series of shares is a stationary distribution of the underlying Markov processes characterized by transition probability matrices. We estimate transition probability matrices for every observation under natural assumptions. We demonstrate, on a real-world dataset of the share of automobiles, that the proposed method can find intrinsic transition of shares. The resulting transition matrices reveal interesting phenomena, for example, the change in flows between TOYOTA group and GM group for the fiscal year where TOYOTA group’s sales beat GM’s sales, which is a reasonable scenario. PMID:28076383

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.

2010-10-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to oxygen diffusion into the sub-surface region and the formation of oxides. In this work we present the results of an ab-initio investigation of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. The geometry of the surfaces with adsorbed oxygen is fully optimized. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

Energies and transition rates in Ge-like ions between In XVIII and Ce XXVII

NASA Astrophysics Data System (ADS)

Chen, Zhan-Bin; Wang, Kai

2017-03-01

The energy levels, wavelengths, oscillator strengths, and radiative electric dipole (E1), magnetic quadrupole (M2) transition probabilities for Ge-like ions (49 ≤ Z ≤ 58) among the lowest 88 fine-structure levels belonging to the ([Ar] 3d10)4s24p2, ([Ar] 3d10)4s24p4d, ([Ar] 3d10)4s4p3, ([Ar] 3d10)4s4p24d, ([Ar] 3d10)4s24d2, and ([Ar] 3d10)4p4 configurations are calculated using the fully relativistic multiconfiguration Dirac-Fock (MCDF) approach including the correlations within the n = 7 complex, Breit interaction (BI) and quantum electrodynamics (QED) effects. For comparison, an independent calculation using the many-body perturbation theory (MBPT) method is also carried out to confirm the present energy levels accuracy, taking Xe XXIII as an example. The present results are compared with available experimental and theoretical results and good agreement is obtained. These accurate theoretical data are useful for controlled thermonuclear fusion research, plasma physics, and astrophysical applications.

General methods for sensitivity analysis of equilibrium dynamics in patch occupancy models

USGS Publications Warehouse

Miller, David A.W.

2012-01-01

Sensitivity analysis is a useful tool for the study of ecological models that has many potential applications for patch occupancy modeling. Drawing from the rich foundation of existing methods for Markov chain models, I demonstrate new methods for sensitivity analysis of the equilibrium state dynamics of occupancy models. Estimates from three previous studies are used to illustrate the utility of the sensitivity calculations: a joint occupancy model for a prey species, its predators, and habitat used by both; occurrence dynamics from a well-known metapopulation study of three butterfly species; and Golden Eagle occupancy and reproductive dynamics. I show how to deal efficiently with multistate models and how to calculate sensitivities involving derived state variables and lower-level parameters. In addition, I extend methods to incorporate environmental variation by allowing for spatial and temporal variability in transition probabilities. The approach used here is concise and general and can fully account for environmental variability in transition parameters. The methods can be used to improve inferences in occupancy studies by quantifying the effects of underlying parameters, aiding prediction of future system states, and identifying priorities for sampling effort.

From elemental tellurium to Ge2Sb2Te5 melts: High temperature dynamic and relaxation properties in relationship with the possible fragile to strong transition

NASA Astrophysics Data System (ADS)

Flores-Ruiz, H.; Micoulaut, M.

2018-01-01

We investigate the dynamic properties of Ge-Sb-Te phase change melts using first principles molecular dynamics with a special emphasis on the effect of tellurium composition on melt dynamics. From structural models and trajectories established previously [H. Flores-Ruiz et al., Phys. Rev. B 92, 134205 (2015)], we calculate the diffusion coefficients for the different species, the activation energies for diffusion, the Van Hove correlation, and the intermediate scattering functions able to substantiate the dynamics and relaxation behavior of the liquids as a function of temperature and composition that is also compared to experiment whenever possible. We find that the diffusion is mostly Arrhenius-like and that the addition of Ge/Sb atoms leads to a global decrease of the jump probability and to an increase in activated dynamics for diffusion. Relaxation behavior is analyzed and used in order to evaluate the possibility of a fragile to strong transition that is evidenced from the calculated high fragility (M = 129) of Ge2Sb2Te5 at high temperatures.

SURE - SEMI-MARKOV UNRELIABILITY RANGE EVALUATOR (VAX VMS VERSION)

NASA Technical Reports Server (NTRS)

Butler, R. W.

1994-01-01

The Semi-Markov Unreliability Range Evaluator, SURE, is an analysis tool for reconfigurable, fault-tolerant systems. Traditional reliability analyses are based on aggregates of fault-handling and fault-occurrence models. SURE provides an efficient means for calculating accurate upper and lower bounds for the death state probabilities for a large class of semi-Markov models, not just those which can be reduced to critical-pair architectures. The calculated bounds are close enough (usually within 5 percent of each other) for use in reliability studies of ultra-reliable computer systems. The SURE bounding theorems have algebraic solutions and are consequently computationally efficient even for large and complex systems. SURE can optionally regard a specified parameter as a variable over a range of values, enabling an automatic sensitivity analysis. Highly reliable systems employ redundancy and reconfiguration as methods of ensuring operation. When such systems are modeled stochastically, some state transitions are orders of magnitude faster than others; that is, fault recovery is usually faster than fault arrival. SURE takes these time differences into account. Slow transitions are described by exponential functions and fast transitions are modeled by either the White or Lee theorems based on means, variances, and percentiles. The user must assign identifiers to every state in the system and define all transitions in the semi-Markov model. SURE input statements are composed of variables and constants related by FORTRAN-like operators such as =, +, *, SIN, EXP, etc. There are a dozen major commands such as READ, READO, SAVE, SHOW, PRUNE, TRUNCate, CALCulator, and RUN. Once the state transitions have been defined, SURE calculates the upper and lower probability bounds for entering specified death states within a specified mission time. SURE output is tabular. The mathematical approach chosen to solve a reliability problem may vary with the size and nature of the problem. Although different solution techniques are utilized on different programs, it is possible to have a common input language. The Systems Validation Methods group at NASA Langley Research Center has created a set of programs that form the basis for a reliability analysis workstation. The set of programs are: SURE reliability analysis program (COSMIC program LAR-13789, LAR-14921); the ASSIST specification interface program (LAR-14193, LAR-14923), PAWS/STEM reliability analysis programs (LAR-14165, LAR-14920); and the FTC fault tree tool (LAR-14586, LAR-14922). FTC is used to calculate the top-event probability for a fault tree. PAWS/STEM and SURE are programs which interpret the same SURE language, but utilize different solution methods. ASSIST is a preprocessor that generates SURE language from a more abstract definition. SURE, ASSIST, and PAWS/STEM are also offered as a bundle. Please see the abstract for COS-10039/COS-10041, SARA - SURE/ASSIST Reliability Analysis Workstation, for pricing details. SURE was originally developed for DEC VAX series computers running VMS and was later ported for use on Sun computers running SunOS. The VMS version (LAR13789) is written in PASCAL, C-language, and FORTRAN 77. The standard distribution medium for the VMS version of SURE is a 9-track 1600 BPI magnetic tape in VMSINSTAL format. It is also available on a TK50 tape cartridge in VMSINSTAL format. Executables are included. The Sun UNIX version (LAR14921) is written in ANSI C-language and PASCAL. An ANSI compliant C compiler is required in order to compile the C portion of this package. The standard distribution medium for the Sun version of SURE is a .25 inch streaming magnetic tape cartridge in UNIX tar format. Both Sun3 and Sun4 executables are included. SURE was developed in 1988 and last updated in 1992. DEC, VAX, VMS, and TK50 are trademarks of Digital Equipment Corporation. TEMPLATE is a registered trademark of Template Graphics Software, Inc. UNIX is a registered trademark of AT&T Bell Laboratories. Sun3 and Sun4 are trademarks of Sun Microsystems, Inc.

SURE - SEMI-MARKOV UNRELIABILITY RANGE EVALUATOR (SUN VERSION)

NASA Technical Reports Server (NTRS)

Butler, R. W.

1994-01-01

The Semi-Markov Unreliability Range Evaluator, SURE, is an analysis tool for reconfigurable, fault-tolerant systems. Traditional reliability analyses are based on aggregates of fault-handling and fault-occurrence models. SURE provides an efficient means for calculating accurate upper and lower bounds for the death state probabilities for a large class of semi-Markov models, not just those which can be reduced to critical-pair architectures. The calculated bounds are close enough (usually within 5 percent of each other) for use in reliability studies of ultra-reliable computer systems. The SURE bounding theorems have algebraic solutions and are consequently computationally efficient even for large and complex systems. SURE can optionally regard a specified parameter as a variable over a range of values, enabling an automatic sensitivity analysis. Highly reliable systems employ redundancy and reconfiguration as methods of ensuring operation. When such systems are modeled stochastically, some state transitions are orders of magnitude faster than others; that is, fault recovery is usually faster than fault arrival. SURE takes these time differences into account. Slow transitions are described by exponential functions and fast transitions are modeled by either the White or Lee theorems based on means, variances, and percentiles. The user must assign identifiers to every state in the system and define all transitions in the semi-Markov model. SURE input statements are composed of variables and constants related by FORTRAN-like operators such as =, +, *, SIN, EXP, etc. There are a dozen major commands such as READ, READO, SAVE, SHOW, PRUNE, TRUNCate, CALCulator, and RUN. Once the state transitions have been defined, SURE calculates the upper and lower probability bounds for entering specified death states within a specified mission time. SURE output is tabular. The mathematical approach chosen to solve a reliability problem may vary with the size and nature of the problem. Although different solution techniques are utilized on different programs, it is possible to have a common input language. The Systems Validation Methods group at NASA Langley Research Center has created a set of programs that form the basis for a reliability analysis workstation. The set of programs are: SURE reliability analysis program (COSMIC program LAR-13789, LAR-14921); the ASSIST specification interface program (LAR-14193, LAR-14923), PAWS/STEM reliability analysis programs (LAR-14165, LAR-14920); and the FTC fault tree tool (LAR-14586, LAR-14922). FTC is used to calculate the top-event probability for a fault tree. PAWS/STEM and SURE are programs which interpret the same SURE language, but utilize different solution methods. ASSIST is a preprocessor that generates SURE language from a more abstract definition. SURE, ASSIST, and PAWS/STEM are also offered as a bundle. Please see the abstract for COS-10039/COS-10041, SARA - SURE/ASSIST Reliability Analysis Workstation, for pricing details. SURE was originally developed for DEC VAX series computers running VMS and was later ported for use on Sun computers running SunOS. The VMS version (LAR13789) is written in PASCAL, C-language, and FORTRAN 77. The standard distribution medium for the VMS version of SURE is a 9-track 1600 BPI magnetic tape in VMSINSTAL format. It is also available on a TK50 tape cartridge in VMSINSTAL format. Executables are included. The Sun UNIX version (LAR14921) is written in ANSI C-language and PASCAL. An ANSI compliant C compiler is required in order to compile the C portion of this package. The standard distribution medium for the Sun version of SURE is a .25 inch streaming magnetic tape cartridge in UNIX tar format. Both Sun3 and Sun4 executables are included. SURE was developed in 1988 and last updated in 1992. DEC, VAX, VMS, and TK50 are trademarks of Digital Equipment Corporation. TEMPLATE is a registered trademark of Template Graphics Software, Inc. UNIX is a registered trademark of AT&T Bell Laboratories. Sun3 and Sun4 are trademarks of Sun Microsystems, Inc.

Generating probabilistic Boolean networks from a prescribed transition probability matrix.

PubMed

Ching, W-K; Chen, X; Tsing, N-K

2009-11-01

Probabilistic Boolean networks (PBNs) have received much attention in modeling genetic regulatory networks. A PBN can be regarded as a Markov chain process and is characterised by a transition probability matrix. In this study, the authors propose efficient algorithms for constructing a PBN when its transition probability matrix is given. The complexities of the algorithms are also analysed. This is an interesting inverse problem in network inference using steady-state data. The problem is important as most microarray data sets are assumed to be obtained from sampling the steady-state.

Reliability analysis of redundant systems. [a method to compute transition probabilities

NASA Technical Reports Server (NTRS)

Yeh, H. Y.

1974-01-01

A method is proposed to compute the transition probability (the probability of partial or total failure) of parallel redundant system. The effect of geometry of the system, the direction of load, and the degree of redundancy on the probability of complete survival of parachute-like system are also studied. The results show that the probability of complete survival of three-member parachute-like system is very sensitive to the variation of horizontal angle of the load. However, it becomes very insignificant as the degree of redundancy increases.

Recovering a full dimensional quantum rate constant from a reduced dimensionality calculation: Application to the OH+CO{r_arrow}H+CO{sub 2} reaction

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

Dzegilenko, F.N.; Bowman, J.M.

1996-08-01

Two reduced dimensionality theories are used to calculate the thermal rate constant for the OH+CO{r_arrow}H+CO{sub 2} reaction. The standard theory employs energy-shift approximations to extract the full six degree-of-freedom quantum rate constant for this reaction from the previous two degree-of-freedom (2-DOF) quantum calculations of Hernandez and Clary [M.I. Hernandez and D.C. Clary, J. Chem. Phys. {bold 101}, 2779 (1994)]. Three extra bending modes and one extra {open_quote}{open_quote}spectator{close_quote}{close_quote} CO stretch mode are treated adiabatically in the harmonic fashion. The parameters of the exit channel transition state are used to evaluate the frequencies of those additional modes. A new reduced dimensionality theorymore » is also applied to this reaction. This theory explicitly addresses the finding from the 2-DOF calculations that the reaction proceeds mainly via complex formation. A J-shifting approximation has been used to take into account the initial states with non-zero values of total angular momentum in both reduced dimensionality theories. Cumulative reaction probabilities and thermal rate constants are calculated and compared with the previous quasiclassical and reduced dimensionality quantum calculations and with experiment. The rate constant from the new reduced dimensionality theory is between a factor of 5 and 100 times smaller than the statistical transition state theory result, and is in much better agreement with experiment. {copyright} {ital 1996 American Institute of Physics.}« less

MRCI study on the spectroscopic parameters, transition dipole moments and transition probabilities of 16 low-lying states of the BeB radical

NASA Astrophysics Data System (ADS)

Zhou, Dan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-03-01

In this work, we calculate the potential energy curves of 16 Λ-S and 36 Ω states of beryllium boride (BeB) radical using the complete active space self-consistent field method, followed by the valence internally contracted multireference configuration interaction approach with Davidson correction. The 16 Λ-S states are the X2Π, A2Σ+, B2Π, C2Δ, D2Ʃ-, E2Σ+, G2Π, I2Σ+, a4Σ-, b4Π, c4Σ-, d4Δ, e4Σ+, g4Π, h4Π, and 24Σ+, which are obtained from the first three dissociation channels of the BeB radical. The Ω states are obtained from the Λ-S states. Of the Λ-S states, the G2Π, I2Σ+, and h4Π states exhibit double well curves. The G2Π, b4Π, and g4Π states are inverted with the spin-orbit coupling effect included. The d4Δ, e4Σ+, and g4Π states as well as the second well of the h4Π state are very weakly bound. Avoided crossings exist between the G2Π and H2Π states, the A2Σ+ and E2Σ+ states, the c4Σ- and f4Σ- states, the g4Π and h4Π states, the I2Σ+ and 42Σ+ states, as well as the 24Σ+ and 34Σ+ states. To improve the quality of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of the potential energies to the complete basis set limit, are included. The transition dipole moments are computed. Spectroscopic parameters and vibrational levels are determined along with Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many electronic transitions. The transition probabilities are evaluated. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is discussed. The spectroscopic parameters, vibrational levels, and transition probabilities reported in this paper can be considered very reliable and can be employed to predict these states in an appropriate spectroscopy experiment.

Analyzing diffuse scattering with supercomputers. Corrigendum

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

Michels-Clark, Tara M.; Lynch, Vickie E.; Hoffmann, Christina M.

2016-03-01

The study by Michels-Clark et al. (2013 [Michels-Clark, T. M., Lynch, V. E., Hoffmann, C. M., Hauser, J., Weber, T., Harrison, R. & Bürgi, H. B. (2013). J. Appl. Cryst. 46, 1616-1625.]) contains misleading errors which are corrected here. The numerical results reported in that paper and the conclusions given there are not affected and remain unchanged. The transition probabilities in Table 1 (rows 4, 5, 7, 8) and Fig. 2 (rows 1 and 2) of the original paper were different from those used in the numerical calculations. Corrected transition probabilities as used in the computations are given in Tablemore » 1 and Fig. 1 of this article. The Δ parameter in the stacking model expresses the preference for the fifth layer in a five-layer stack to be eclipsed with respect to the first layer. This statement corrects the original text on p. 1622, lines 4–7. In the original Fig. 2 the helicity of the layer stacks b L and b R in rows 3 and 4 had been given as opposite to those in rows 1, 2 and 5. Fig. 1 of this article shows rows 3 and 4 corrected to correspond to rows 1, 2 and 5.« less

A theoretical approach to the photochemical activation of matrix isolated aluminum atoms and their reaction with methane

NASA Astrophysics Data System (ADS)

Pacheco-Blas, M. A.; Novaro, O. A.; Pacheco-Sánchez, J. H.

2010-11-01

The photochemical activation of Al atoms in cryogenic matrices to induce their reaction with methane has been experimentally studied before. Here, a theoretical study of the nonadiabatic transition probabilities for the ground (P2:3s23p1) and the lowest excited states (S2:3s24s1 and D2:3s23d1) of an aluminum atom interacting with a methane molecule (CH4) was carried out through ab initio Hartree-Fock self-consistent field calculations. This was followed by a multiconfigurational study of the correlation energy obtained by extensive variational and perturbational configuration interaction analyses using the CIPSI program. The D2 state is readily inserted into a C-H bond, this being a prelude to a sequence of avoided crossings with the initially repulsive (to CH4) lower lying states P2 and S2. We then use a direct extension of the Landau-Zener theory to obtain transition probabilities at each avoided crossing, allowing the formation of an HAlCH3 intermediate that eventually leads to the final pair of products H+AlCH3 and HAl+CH3.

An exacting transition probability measurement - a direct test of atomic many-body theories.

PubMed

Dutta, Tarun; De Munshi, Debashis; Yum, Dahyun; Rebhi, Riadh; Mukherjee, Manas

2016-07-19

A new protocol for measuring the branching fraction of hydrogenic atoms with only statistically limited uncertainty is proposed and demonstrated for the decay of the P3/2 level of the barium ion, with precision below 0.5%. Heavy hydrogenic atoms like the barium ion are test beds for fundamental physics such as atomic parity violation and they also hold the key to understanding nucleo-synthesis in stars. To draw definitive conclusion about possible physics beyond the standard model by measuring atomic parity violation in the barium ion it is necessary to measure the dipole transition probabilities of low-lying excited states with a precision better than 1%. Furthermore, enhancing our understanding of the barium puzzle in barium stars requires branching fraction data for proper modelling of nucleo-synthesis. Our measurements are the first to provide a direct test of quantum many-body calculations on the barium ion with a precision below one percent and more importantly with no known systematic uncertainties. The unique measurement protocol proposed here can be easily extended to any decay with more than two channels and hence paves the way for measuring the branching fractions of other hydrogenic atoms with no significant systematic uncertainties.

Investigation of mid-infrared emission characteristics and energy transfer dynamics in Er3+ doped oxyfluoride tellurite glass

PubMed Central

Chen, Fangze; Wei, Tao; Jing, Xufeng; Tian, Ying; Zhang, Junjie; Xu, Shiqing

2015-01-01

Er3+ doped oxyfluoride tellurite glasses have been prepared. Three Judd-Ofelt parameters Ωt (t = 2, 4, 6) and radiative properties are calculated for prepared glasses. Emission characteristics are analyzed and it is found that prepared glasses possess larger calculated predicted spontaneous transition probability (39.97 s−1), emission cross section σem (10.18 × 10−21 cm2) and σem × Δλeff (945.32 × 10−28 cm3), corresponding to the 2.7 μm emission of Er3+: 4I11/2→ 4I13/2 transition. The results suggest that the prepared glasses might be appropriate optical material for mid-infrared laser application. Moreover, rate equation analysis which is rarely used in bulk glass has been carried out to explain the relationship between emission intensity and Er3+ concentration. The calculation results show that with the increment of Er3+ concentration, the energy transfer up-conversion rate of 4I13/2 state increases while the rate of 4I11/2 state reduces, resulting in the change of 2.7 μm emission. PMID:26032900

Low-temperature magnetic properties of GdCoIn5

NASA Astrophysics Data System (ADS)

Betancourth, D.; Facio, J. I.; Pedrazzini, P.; Jesus, C. B. R.; Pagliuso, P. G.; Vildosola, V.; Cornaglia, Pablo S.; García, D. J.; Correa, V. F.

2015-01-01

A comprehensive experimental and theoretical study of the low temperature properties of GdCoIn5 was performed. Specific heat, thermal expansion, magnetization and electrical resistivity were measured in good quality single crystals down to 4He temperatures. All the experiments show a second-order-like phase transition at 30 K probably associated with the onset of antiferromagnetic order. The magnetic susceptibility shows a pronounced anisotropy below TN with an easy magnetic axis perpendicular to the crystallographic ĉ-axis. Total energy GGA+U calculations indicate a ground state with magnetic moments localized at the Gd ions and allowed a determination of the Gd-Gd magnetic interactions. Band structure calculations of the electron and phonon contributions to the specific heat together with Quantum Monte Carlo calculations of the magnetic contributions show a very good agreement with the experimental data. Comparison between experiment and calculations suggests a significant anharmonic contribution to the specific heat at high temperature (T ≳ 100 K).

Linear combination of atomic orbitals calculation of the Auger neutralization rate of He{sup +} on Al(111) (100), and (110) surfaces

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

Valdes, Diego; Blanco, J.M.; Monreal, R.C.

2005-06-15

We develop a theory of the Auger neutralization rate of ions on solid surfaces in which the matrix elements for the transition are calculated by means of a linear combination of atomic orbitals technique. We apply the theory to the calculation of the Auger rate of He{sup +} on unreconstructed Al(111) (100), and (110) surfaces, assuming He{sup +} to approach these surfaces on high symmetry positions and compare them with the results of the jellium model. Although there are substantial differences between the Auger rates calculated with both kinds of approaches, those differences tend to compensate when evaluating the integralmore » along the ion trajectory and, consequently, are of minor influence in some physical magnitudes like the ion survival probability for perpendicular energies larger than 100 eV. We find that many atoms contribute to the Auger process and small effects of lateral corrugation are registered.« less

Probability calculations for three-part mineral resource assessments

USGS Publications Warehouse

Ellefsen, Karl J.

2017-06-27

Three-part mineral resource assessment is a methodology for predicting, in a specified geographic region, both the number of undiscovered mineral deposits and the amount of mineral resources in those deposits. These predictions are based on probability calculations that are performed with computer software that is newly implemented. Compared to the previous implementation, the new implementation includes new features for the probability calculations themselves and for checks of those calculations. The development of the new implementation lead to a new understanding of the probability calculations, namely the assumptions inherent in the probability calculations. Several assumptions strongly affect the mineral resource predictions, so it is crucial that they are checked during an assessment. The evaluation of the new implementation leads to new findings about the probability calculations,namely findings regarding the precision of the computations,the computation time, and the sensitivity of the calculation results to the input.

Theoretical Study of the B(sup 3) Sigma(sup -, sub u) - X(sup3)Sigma(sub g, sup -) and B"(sup 3)Pi(sub u) - X(sup 3)Sigma(sub g, sup -) Band Systems of S(sub 2)

NASA Technical Reports Server (NTRS)

Pradhan, Atul D.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Multireference configuration-interaction (MRCI) wavefunctions and potential energy curves have been calculated for the X(sup 3)Sigma(sub g,sup -), B(sup 3)Sigma(sub u, Sup -) and B"(sup 3)Pi((sub u) states of S(sub 2) using correlation consistent Gaussian basis sets. These wavefunctions are utilized to compute the the transition dipole moments of the B(sup 3)Sigma(sub g, sup -) - X(sup 3) Sigma(sub g, sup -) and B"(sup 3)Pi(sub u) - X(sup 3)Sigma(sub g, sup -) systems. Oscillator strengths, transition probabilities, and radiative lifetimes are computed for the X-B system and comparison is made with experimental data.

Fast-timing lifetime measurements of excited states in Cu67

NASA Astrophysics Data System (ADS)

NiÅ£ǎ, C. R.; Bucurescu, D.; Mǎrginean, N.; Avrigeanu, M.; Bocchi, G.; Bottoni, S.; Bracco, A.; Bruce, A. M.; Cǎta-Danil, G.; Coló, G.; Deleanu, D.; Filipescu, D.; GhiÅ£ǎ, D. G.; Glodariu, T.; Leoni, S.; Mihai, C.; Mason, P. J. R.; Mǎrginean, R.; Negret, A.; Pantelicǎ, D.; Podolyak, Z.; Regan, P. H.; Sava, T.; Stroe, L.; Toma, S.; Ur, C. A.; Wilson, E.

2014-06-01

The half-lives of the 9/2+, 13/2+, and 15/2+ yrast states in the neutron-rich Cu67 nucleus were determined by using the in-beam fast-timing technique. The experimentally deduced E3 transition strength for the decay of the 9/2+ level to the 3/2- ground state indicates that the wave function of this level might contain a collective component arising from the coupling of the odd proton p3/2 with the 3- state in Ni66. Theoretical interpretations of the 9/2+ state are presented within the particle-vibration weak-coupling scheme involving the unpaired proton and the 3- state from Ni66 and within shell-model calculations with a Ni56 core using the jj44b residual interaction. The shell model also accounts reasonably well for the other measured electromagnetic transition probabilities.

The Theoretical Transition Probabilities Between the B(sup 3)Pi(sub g) and the A(sup 3)Sigma(Sup +, sub u), W(sup 3)Delta(sub u), B'(sup 3)Sigma(sup -, sub u) States of N2

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Partridge, Harry; Huo, Winifred M.; Langhoff, Stephen (Technical Monitor)

1995-01-01

The electronic transition moment functions between the B(sup 3)Pi(sub g) and the A(sup 3)Sigma(sup +, sub u), W(sup 3)Delta(sub u), B'(sup 3)Sigma(sup -, sub u) states of N2 are studied using the internally contracted multireference configuration interaction (ICMRCI) method based upon complete active space SCF (CASSCF) reference wave-functions. The dependence of the moments on both the one and n-particle basis sets has been investigated in detail. The calculated radiative lifetimes for the vibrational levels of B(sup 3)Pi(sub g) are in excellent agreement with the most recent measurement of Euler and Pipkin (1983)

Study of nuclear structure of 76-86Sr isotopes in the pn interacting boson model

NASA Astrophysics Data System (ADS)

Saxena, M.; Gupta, J. B.; Mandal, S.

2015-08-01

The proton neutron interacting boson model (IBM-2) has been used to make a systematic study of Strontium isotopes in this mass region of A ˜ 80 with 38 ≤slant N ≤slant 48 and Z = 38. The three-term Talmi-Otsuka general Hamiltonian in the framework of the neutron proton version of the Interaction boson model was used to perform the calculations. The yrast levels energy are reproduced. The beta and gamma band energy levels also matched well. The reduced transition probabilities were also calculated and were found to be in agreement with the experimental values. In addition, g-factor for the {2}1+ state was evaluated. Possible candidates for mixed symmetry states were also predicted for several nuclei in this isotopic chain.

The true quantum face of the "exponential" decay: Unstable systems in rest and in motion

NASA Astrophysics Data System (ADS)

Urbanowski, K.

2017-12-01

Results of theoretical studies and numerical calculations presented in the literature suggest that the survival probability P0(t) has the exponential form starting from times much smaller than the lifetime τ up to times t ⪢τ and that P0(t) exhibits inverse power-law behavior at the late time region for times longer than the so-called crossover time T ⪢ τ (The crossover time T is the time when the late time deviations of P0(t) from the exponential form begin to dominate). More detailed analysis of the problem shows that in fact the survival probability P0(t) can not take the pure exponential form at any time interval including times smaller than the lifetime τ or of the order of τ and it has has an oscillating form. We also study the survival probability of moving relativistic unstable particles with definite momentum . These studies show that late time deviations of the survival probability of these particles from the exponential-like form of the decay law, that is the transition times region between exponential-like and non-exponential form of the survival probability, should occur much earlier than it follows from the classical standard considerations.

Racial and Ethnic Variation in the Relationship Between Student Loan Debt and the Transition to First Birth.

PubMed

Min, Stella; Taylor, Miles G

2018-02-01

The present study employs discrete-time hazard regression models to investigate the relationship between student loan debt and the probability of transitioning to either marital or nonmarital first childbirth using the 1997 National Longitudinal Survey of Youth (NLSY97). Accounting for nonrandom selection into student loans using propensity scores, our study reveals that the effect of student loan debt on the transition to motherhood differs among white, black, and Hispanic women. Hispanic women holding student loans experience significant declines in the probability of transitioning to both marital and nonmarital motherhood, whereas black women with student loans are significantly more likely to transition to any first childbirth. Indebted white women experience only a decrease in the probability of a marital first birth. The results from this study suggest that student loans will likely play a key role in shaping future demographic patterns and behaviors.

Characterizing the Cool KOIs. III. KOI 961: A Small Star with Large Proper Motion and Three Small Planets

NASA Astrophysics Data System (ADS)

Muirhead, Philip S.; Johnson, John Asher; Apps, Kevin; Carter, Joshua A.; Morton, Timothy D.; Fabrycky, Daniel C.; Pineda, John Sebastian; Bottom, Michael; Rojas-Ayala, Bárbara; Schlawin, Everett; Hamren, Katherine; Covey, Kevin R.; Crepp, Justin R.; Stassun, Keivan G.; Pepper, Joshua; Hebb, Leslie; Kirby, Evan N.; Howard, Andrew W.; Isaacson, Howard T.; Marcy, Geoffrey W.; Levitan, David; Diaz-Santos, Tanio; Armus, Lee; Lloyd, James P.

2012-03-01

We characterize the star KOI 961, an M dwarf with transit signals indicative of three short-period exoplanets discovered by the Kepler mission. We proceed by comparing KOI 961 to Barnard's Star, a nearby, well-characterized mid-M dwarf. We compare colors, optical and near-infrared spectra, and find remarkable agreement between the two, implying similar effective temperatures and metallicities. Both are metal-poor compared to the Solar neighborhood, have low projected rotational velocity, high absolute radial velocity, large proper motion, and no quiescent Hα emission—all of which are consistent with being old M dwarfs. We combine empirical measurements of Barnard's Star and expectations from evolutionary isochrones to estimate KOI 961's mass (0.13 ± 0.05 M ⊙), radius (0.17 ± 0.04 R ⊙), and luminosity (2.40 × 10-3.0 ± 0.3 L ⊙). We calculate KOI 961's distance (38.7 ± 6.3 pc) and space motions, which, like Barnard's Star, are consistent with a high scale-height population in the Milky Way. We perform an independent multi-transit fit to the public Kepler light curve and significantly revise the transit parameters for the three planets. We calculate the false-positive probability for each planet candidate, and find a less than 1% chance that any one of the transiting signals is due to a background or hierarchical eclipsing binary, validating the planetary nature of the transits. The best-fitting radii for all three planets are less than 1 R ⊕, with KOI 961.03 being Mars-sized (RP = 0.57 ± 0.18 R ⊕), and they represent some of the smallest exoplanets detected to date.

A multi-state model for sick-leave data applied to a randomized control trial study of low back pain.

PubMed

Lie, Stein Atle; Eriksen, Hege R; Ursin, Holger; Hagen, Eli Molde

2008-05-01

Analysing and presenting data on different outcomes after sick-leave is challenging. The use of extended statistical methods supplies additional information and allows further exploitation of data. Four hundred and fifty-seven patients, sick-listed for 8-12 weeks for low back pain, were randomized to intervention (n=237) or control (n=220). Outcome was measured as: "sick-listed'', "returned to work'', or "disability pension''. The individuals shifted between the three states between one and 22 times (mean 6.4 times). In a multi-state model, shifting between the states was set up in a transition intensity matrix. The probability of being in any of the states was calculated as a transition probability matrix. The effects of the intervention were modelled using a non-parametric model. There was an effect of the intervention for leaving the state sick-listed and shifting to returned to work (relative risk (RR)=1.27, 95% confidence interval (CI) 1.09- 1.47). The nonparametric estimates showed an effect of the intervention for leaving sick-listed and shifting to returned to work in the first 6 months. We found a protective effect of the intervention for shifting back to sick-listed between 6 and 18 months. The analyses showed that the probability of staying in the state returned to work was not different between the intervention and control groups at the end of the follow-up (3 years). We demonstrate that these alternative analyses give additional results and increase the strength of the analyses. The simple intervention did not decrease the probability of being on sick-leave in the long term; however, it decreased the time that individuals were on sick-leave.

Modeling of Abrasion and Crushing of Unbound Granular Materials During Compaction

NASA Astrophysics Data System (ADS)

Ocampo, Manuel S.; Caicedo, Bernardo

2009-06-01

Unbound compacted granular materials are commonly used in engineering structures as layers in road pavements, railroad beds, highway embankments, and foundations. These structures are generally subjected to dynamic loading by construction operations, traffic and wheel loads. These repeated or cyclic loads cause abrasion and crushing of the granular materials. Abrasion changes a particle's shape, and crushing divides the particle into a mixture of many small particles of varying sizes. Particle breakage is important because the mechanical and hydraulic properties of these materials depend upon their grain size distribution. Therefore, it is important to evaluate the evolution of the grain size distribution of these materials. In this paper an analytical model for unbound granular materials is proposed in order to evaluate particle crushing of gravels and soils subjected to cyclic loads. The model is based on a Markov chain which describes the development of grading changes in the material as a function of stress levels. In the model proposed, each particle size is a state in the system, and the evolution of the material is the movement of particles from one state to another in n steps. Each step is a load cycle, and movement between states is possible with a transition probability. The crushing of particles depends on the mechanical properties of each grain and the packing density of the granular material. The transition probability was calculated using both the survival probability defined by Weibull and the compressible packing model developed by De Larrard. Material mechanical properties are considered using the Weibull probability theory. The size and shape of the grains, as well as the method of processing the packing density are considered using De Larrard's model. Results of the proposed analytical model show a good agreement with the experimental tests carried out using the gyratory compaction test.

Examining Spillovers between Long and Short Repeated Prisoner's Dilemma Games Played in the Laboratory.

PubMed

Arechar, Antonio A; Kouchaki, Maryam; Rand, David G

2018-03-01

We had participants play two sets of repeated Prisoner's Dilemma (RPD) games, one with a large continuation probability and the other with a small continuation probability, as well as Dictator Games (DGs) before and after the RPDs. We find that, regardless of which is RPD set is played first, participants typically cooperate when the continuation probability is large and defect when the continuation probability is small. However, there is an asymmetry in behavior when transitioning from one continuation probability to the other. When switching from large to small, transient higher levels of cooperation are observed in the early games of the small continuation set. Conversely, when switching from small to large, cooperation is immediately high in the first game of the large continuation set. We also observe that response times increase when transitioning between sets of RPDs, except for altruistic participants transitioning into the set of RPDs with long continuation probabilities. These asymmetries suggest a bias in favor of cooperation. Finally, we examine the link between altruism and RPD play. We find that small continuation probability RPD play is correlated with giving in DGs played before and after the RPDs, whereas high continuation probability RPD play is not.

Closed-form solution of decomposable stochastic models

NASA Technical Reports Server (NTRS)

Sjogren, Jon A.

1990-01-01

Markov and semi-Markov processes are increasingly being used in the modeling of complex reconfigurable systems (fault tolerant computers). The estimation of the reliability (or some measure of performance) of the system reduces to solving the process for its state probabilities. Such a model may exhibit numerous states and complicated transition distributions, contributing to an expensive and numerically delicate solution procedure. Thus, when a system exhibits a decomposition property, either structurally (autonomous subsystems), or behaviorally (component failure versus reconfiguration), it is desirable to exploit this decomposition in the reliability calculation. In interesting cases there can be failure states which arise from non-failure states of the subsystems. Equations are presented which allow the computation of failure probabilities of the total (combined) model without requiring a complete solution of the combined model. This material is presented within the context of closed-form functional representation of probabilities as utilized in the Symbolic Hierarchical Automated Reliability and Performance Evaluator (SHARPE) tool. The techniques adopted enable one to compute such probability functions for a much wider class of systems at a reduced computational cost. Several examples show how the method is used, especially in enhancing the versatility of the SHARPE tool.

47 CFR 1.1623 - Probability calculation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 1 2010-10-01 2010-10-01 false Probability calculation. 1.1623 Section 1.1623 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRACTICE AND PROCEDURE Random Selection Procedures for Mass Media Services General Procedures § 1.1623 Probability calculation. (a) All calculations shall be...

Positron probes of the Ge(1 0 0) surface: The effects of surface reconstructions and electron positron correlations on positron trapping and annihilation characteristics

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Jung, E.; Weiss, A. H.

2007-08-01

Positron annihilation induced Auger electron spectroscopy (PAES) has been applied to study the Ge(1 0 0) surface. The high-resolution PAES spectrum from the Ge(1 0 0) surface displays several strong Auger peaks corresponding to M4,5N1N2,3, M2,3M4,5M4,5, M2,3M4,5V and M1M4,5M4,5 Auger transitions. The integrated peak intensities of Auger transitions are used to obtain experimental annihilation probabilities for the Ge 3d and 3p core level electrons. These experimental results are analyzed by performing calculations of positron surface states and annihilation characteristics of surface trapped positrons with relevant Ge core-level electrons for the non-reconstructed and reconstructed Ge(1 0 0)-p(2 × 1), Ge(1 0 0)-p(2 × 2) and Ge(1 0 0)-c(4 × 2) surfaces. It is found that the positron surface state wave function extends into the Ge lattice in the regions where atoms are displaced from their ideal terminated positions due to reconstructions. Estimates of the positron binding energy and the positron annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of Ge(1 0 0). A comparison with PAES data reveals an agreement with theoretical core annihilation probabilities for the Auger transitions considered.

[Comparison of two algorithms for development of design space-overlapping method and probability-based method].

PubMed

Shao, Jing-Yuan; Qu, Hai-Bin; Gong, Xing-Chu

2018-05-01

In this work, two algorithms (overlapping method and the probability-based method) for design space calculation were compared by using the data collected from extraction process of Codonopsis Radix as an example. In the probability-based method, experimental error was simulated to calculate the probability of reaching the standard. The effects of several parameters on the calculated design space were studied, including simulation number, step length, and the acceptable probability threshold. For the extraction process of Codonopsis Radix, 10 000 times of simulation and 0.02 for the calculation step length can lead to a satisfactory design space. In general, the overlapping method is easy to understand, and can be realized by several kinds of commercial software without coding programs, but the reliability of the process evaluation indexes when operating in the design space is not indicated. Probability-based method is complex in calculation, but can provide the reliability to ensure that the process indexes can reach the standard within the acceptable probability threshold. In addition, there is no probability mutation in the edge of design space by probability-based method. Therefore, probability-based method is recommended for design space calculation. Copyright© by the Chinese Pharmaceutical Association.

Reexamining the role of the ( n , γ f ) process in the low-energy fission of U 235 and Pu 239

DOE PAGES

Lynn, J. E.; Talou, P.; Bouland, O.

2018-06-01

In this paper, themore » $$(n,{\\gamma}f)$$ process is reviewed in light of modern nuclear reaction calculations in both slow and fast neutron-induced fission reactions on $$^{235}\\mathrm{U}$$ and $$^{239}\\mathrm{Pu}$$. Observed fluctuations of the average prompt fission neutron multiplicity and average total $${\\gamma}$$-ray energy below 100-eV incident neutron energy are interpreted in this framework. The surprisingly large contribution of the $M1$ transitions to the prefission $${\\gamma}$$-ray spectrum of $$^{239}\\mathrm{Pu}$$ is explained by the dominant fission probabilities of $${0}^{+}$$ and $${2}^{+}$$ transition states, which can only be accessed from compound nucleus states formed by the interaction of $s$-wave neutrons with the target nucleus in its ground state, and decaying through $M1$ transitions. The impact of an additional low-lying $M1$ scissors mode in the photon strength function is analyzed. We review experimental evidence for fission fragment mass and kinetic-energy fluctuations in the resonance region and their importance in the interpretation of experimental data on prompt neutron data in this region. In conclusion, calculations are extended to the fast energy range where $$(n,{\\gamma}f)$$ corrections can account for up to 3% of the total fission cross section and about 20% of the capture cross section.« less

Energy levels, oscillator strengths, line strengths, and transition probabilities in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI

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

Chen, Zhan-Bin, E-mail: chenzb008@qq.com; Ma, Kun; Wang, Hong-Jian

2017-01-15

Detailed calculations using the multi-configuration Dirac–Fock (MCDF) method are carried out for the lowest 64 fine-structure levels of the 3s{sup 2}3p{sup 2}, 3s{sup 2}3p3d, 3s3p{sup 3}, 3s3p{sup 2}3d, 3s{sup 2}3d{sup 2}, and 3p{sup 4} configurations in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI. Energies, oscillator strengths, wavelengths, line strengths, and radiative electric dipole transition rates are given for all ions. A parallel calculation using the many-body perturbation theory (MBPT) method is also carried out to assess the present energy levels accuracy. Comparisons are performed between these two sets of energy levels, as well as withmore » other available results, showing that they are in good agreement with each other within 0.5%. These high accuracy results can be used to the modeling and the interpretation of astrophysical objects and fusion plasmas. - Highlights: • Energy levels and E1 transition rates of Si-like ions are presented. • Breit interaction and Quantum Electrodynamics effects are discussed. • Present results should be useful in the astrophysical application and plasma modeling.« less

Reexamining the role of the ( n , γ f ) process in the low-energy fission of U 235 and Pu 239

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

Lynn, J. E.; Talou, P.; Bouland, O.

In this paper, themore » $$(n,{\\gamma}f)$$ process is reviewed in light of modern nuclear reaction calculations in both slow and fast neutron-induced fission reactions on $$^{235}\\mathrm{U}$$ and $$^{239}\\mathrm{Pu}$$. Observed fluctuations of the average prompt fission neutron multiplicity and average total $${\\gamma}$$-ray energy below 100-eV incident neutron energy are interpreted in this framework. The surprisingly large contribution of the $M1$ transitions to the prefission $${\\gamma}$$-ray spectrum of $$^{239}\\mathrm{Pu}$$ is explained by the dominant fission probabilities of $${0}^{+}$$ and $${2}^{+}$$ transition states, which can only be accessed from compound nucleus states formed by the interaction of $s$-wave neutrons with the target nucleus in its ground state, and decaying through $M1$ transitions. The impact of an additional low-lying $M1$ scissors mode in the photon strength function is analyzed. We review experimental evidence for fission fragment mass and kinetic-energy fluctuations in the resonance region and their importance in the interpretation of experimental data on prompt neutron data in this region. In conclusion, calculations are extended to the fast energy range where $$(n,{\\gamma}f)$$ corrections can account for up to 3% of the total fission cross section and about 20% of the capture cross section.« less

Ho3+-doped strontium-aluminium-bismuth-borate glasses for green light emission.

PubMed

Rajesh, D; Dhamodhara Naidu, M; Ratnakaram, Y C; Balakrishna, A

2014-11-01

Strontium-aluminium-bismuth-borate glasses (SAlBiB) doped with different concentrations of Ho(3+) were prepared using conventional melt quenching technique and their structural and optical properties investigated. X-ray diffraction and scanning electron microscopy analysis were used to study the structural properties. Optical properties were studied by measuring the optical absorption and visible luminescence spectra. The Judd-Ofelt (J-O) theory was applied to evaluate J-O intensity parameters, Ω(λ) (λ = 2, 4 and 6). Using J-O intensity parameters, radiative properties such as spontaneous transition probabilities (A(R)), branching ratios (β(R)) and radiative lifetimes (τ(R)) were determined. From the emission spectra, a strong green emission nearly at 549 nm corresponding to the transition, (5)S2 ((5)F4)→(5)I(8) was observed. Emission peak positions (λ(P)), effective bandwidths (Δλ(eff)) and stimulated emission cross-sections (σ(p)) were calculated for the observed emission transitions, (5)F3 →(5)I(8), (5)S2((5)F4)→(5)I(8) and (5)F5 →(5)I(8) of Ho(3+) in all the glass matrices. Chromaticity color coordinates were calculated using the emission spectra. The experimental results suggest that SAlBiB glass matrix with 1.5 mol% of Ho(3+) has better emission properties. Copyright © 2014 John Wiley & Sons, Ltd.

H theorem for generalized entropic forms within a master-equation framework

NASA Astrophysics Data System (ADS)

Casas, Gabriela A.; Nobre, Fernando D.; Curado, Evaldo M. F.

2016-03-01

The H theorem is proven for generalized entropic forms, in the case of a discrete set of states. The associated probability distributions evolve in time according to a master equation, for which the corresponding transition rates depend on these entropic forms. An important equation describing the time evolution of the transition rates and probabilities in such a way as to drive the system towards an equilibrium state is found. In the particular case of Boltzmann-Gibbs entropy, it is shown that this equation is satisfied in the microcanonical ensemble only for symmetric probability transition rates, characterizing a single path to the equilibrium state. This equation fulfils the proof of the H theorem for generalized entropic forms, associated with systems characterized by complex dynamics, e.g., presenting nonsymmetric probability transition rates and more than one path towards the same equilibrium state. Some examples considering generalized entropies of the literature are discussed, showing that they should be applicable to a wide range of natural phenomena, mainly those within the realm of complex systems.

Yong-Ki Kim — His Life and Recent Work

NASA Astrophysics Data System (ADS)

Stone, Philip M.

2007-08-01

Dr. Kim made internationally recognized contributions in many areas of atomic physics research and applications, and was still very active when he was killed in an automobile accident. He joined NIST in 1983 after 17 years at the Argonne National Laboratory following his Ph.D. work at the University of Chicago. Much of his early work at Argonne and especially at NIST was the elucidation and detailed analysis of the structure of highly charged ions. He developed a sophisticated, fully relativistic atomic structure theory that accurately predicts atomic energy levels, transition wavelengths, lifetimes, and transition probabilities for a large number of ions. This information has been vital to model the properties of the hot interior of fusion research plasmas, where atomic ions must be described with relativistic atomic structure calculations. In recent years, Dr. Kim worked on the precise calculation of ionization and excitation cross sections of numerous atoms, ions, and molecules that are important in fusion research and in plasma processing for manufacturing semiconductor chips. Dr. Kim greatly advanced the state-of-the-art of calculations for these cross sections through development and implementation of highly innovative methods, including his Binary-Encounter-Bethe (BEB) theory and a scaled plane wave Born (scaled PWB) theory. His methods, using closed quantum mechanical formulas and no adjustable parameters, avoid tedious large-scale computations with main-frame computers. His calculations closely reproduce the results of benchmark experiments as well as large-scale calculations requiring hours of computer time. This recent work on BEB and scaled PWB is reviewed and examples of its capabilities are shown.

Blackmail propagation on small-world networks

NASA Astrophysics Data System (ADS)

Shao, Zhi-Gang; Jian-Ping Sang; Zou, Xian-Wu; Tan, Zhi-Jie; Jin, Zhun-Zhi

2005-06-01

The dynamics of the blackmail propagation model based on small-world networks is investigated. It is found that for a given transmitting probability λ the dynamical behavior of blackmail propagation transits from linear growth type to logistical growth one with the network randomness p increases. The transition takes place at the critical network randomness pc=1/N, where N is the total number of nodes in the network. For a given network randomness p the dynamical behavior of blackmail propagation transits from exponential decrease type to logistical growth one with the transmitting probability λ increases. The transition occurs at the critical transmitting probability λc=1/, where is the average number of the nearest neighbors. The present work will be useful for understanding computer virus epidemics and other spreading phenomena on communication and social networks.

Dynamics of Sleep Stage Transitions in Health and Disease

NASA Astrophysics Data System (ADS)

Kishi, Akifumi; Struzik, Zbigniew R.; Natelson, Benjamin H.; Togo, Fumiharu; Yamamoto, Yoshiharu

2007-07-01

Sleep dynamics emerges from complex interactions between neuronal populations in many brain regions. Annotated sleep stages from electroencephalography (EEG) recordings could potentially provide a non-invasive way to obtain valuable insights into the mechanisms of these interactions, and ultimately into the very nature of sleep regulation. However, to date, sleep stage analysis has been restricted, only very recently expanding the scope of the traditional descriptive statistics to more dynamical concepts of the duration of and transitions between vigilance states and temporal evaluation of transition probabilities among different stages. Physiological and/or pathological implications of the dynamics of sleep stage transitions have, to date, not been investigated. Here, we study detailed duration and transition statistics among sleep stages in healthy humans and patients with chronic fatigue syndrome, known to be associated with disturbed sleep. We find that the durations of waking and non-REM sleep, in particular deep sleep (Stages III and IV), during the nighttime, follow a power-law probability distribution function, while REM sleep durations follow an exponential function, suggestive of complex underlying mechanisms governing the onset of light sleep. We also find a substantial number of REM to non-REM transitions in humans, while this transition is reported to be virtually non-existent in rats. Interestingly, the probability of this REM to non-REM transition is significantly lower in the patients than in controls, resulting in a significantly greater REM to awake, together with Stage I to awake, transition probability. This might potentially account for the reported poor sleep quality in the patients because the normal continuation of sleep after either the lightest or REM sleep is disrupted. We conclude that the dynamical transition analysis of sleep stages is useful for elucidating yet-to-be-determined human sleep regulation mechanisms with a pathophysiological implication.

Prediction of beta-turns in proteins using the first-order Markov models.

PubMed

Lin, Thy-Hou; Wang, Ging-Ming; Wang, Yen-Tseng

2002-01-01

We present a method based on the first-order Markov models for predicting simple beta-turns and loops containing multiple turns in proteins. Sequences of 338 proteins in a database are divided using the published turn criteria into the following three regions, namely, the turn, the boundary, and the nonturn ones. A transition probability matrix is constructed for either the turn or the nonturn region using the weighted transition probabilities computed for dipeptides identified from each region. There are two such matrices constructed for the boundary region since the transition probabilities for dipeptides immediately preceding or following a turn are different. The window used for scanning a protein sequence from amino (N-) to carboxyl (C-) terminal is a hexapeptide since the transition probability computed for a turn tetrapeptide is capped at both the N- and C- termini with a boundary transition probability indexed respectively from the two boundary transition matrices. A sum of the averaged product of the transition probabilities of all the hexapeptides involving each residue is computed. This is then weighted with a probability computed from assuming that all the hexapeptides are from the nonturn region to give the final prediction quantity. Both simple beta-turns and loops containing multiple turns in a protein are then identified by the rising of the prediction quantity computed. The performance of the prediction scheme or the percentage (%) of correct prediction is evaluated through computation of Matthews correlation coefficients for each protein predicted. It is found that the prediction method is capable of giving prediction results with better correlation between the percent of correct prediction and the Matthews correlation coefficients for a group of test proteins as compared with those predicted using some secondary structural prediction methods. The prediction accuracy for about 40% of proteins in the database or 50% of proteins in the test set is better than 70%. Such a percentage for the test set is reduced to 30 if the structures of all the proteins in the set are treated as unknown.

Survival modeling for the estimation of transition probabilities in model-based economic evaluations in the absence of individual patient data: a tutorial.

PubMed

Diaby, Vakaramoko; Adunlin, Georges; Montero, Alberto J

2014-02-01

Survival modeling techniques are increasingly being used as part of decision modeling for health economic evaluations. As many models are available, it is imperative for interested readers to know about the steps in selecting and using the most suitable ones. The objective of this paper is to propose a tutorial for the application of appropriate survival modeling techniques to estimate transition probabilities, for use in model-based economic evaluations, in the absence of individual patient data (IPD). An illustration of the use of the tutorial is provided based on the final progression-free survival (PFS) analysis of the BOLERO-2 trial in metastatic breast cancer (mBC). An algorithm was adopted from Guyot and colleagues, and was then run in the statistical package R to reconstruct IPD, based on the final PFS analysis of the BOLERO-2 trial. It should be emphasized that the reconstructed IPD represent an approximation of the original data. Afterwards, we fitted parametric models to the reconstructed IPD in the statistical package Stata. Both statistical and graphical tests were conducted to verify the relative and absolute validity of the findings. Finally, the equations for transition probabilities were derived using the general equation for transition probabilities used in model-based economic evaluations, and the parameters were estimated from fitted distributions. The results of the application of the tutorial suggest that the log-logistic model best fits the reconstructed data from the latest published Kaplan-Meier (KM) curves of the BOLERO-2 trial. Results from the regression analyses were confirmed graphically. An equation for transition probabilities was obtained for each arm of the BOLERO-2 trial. In this paper, a tutorial was proposed and used to estimate the transition probabilities for model-based economic evaluation, based on the results of the final PFS analysis of the BOLERO-2 trial in mBC. The results of our study can serve as a basis for any model (Markov) that needs the parameterization of transition probabilities, and only has summary KM plots available.

Skyrme RPA description of γ-vibrational states in rare-earth nuclei

NASA Astrophysics Data System (ADS)

Nesterenko, V. O.; Kartavenko, V. G.; Kleinig, W.; Kvasil, J.; Repko, A.; Jolos, R. V.; Reinhard, P.-G.

2016-01-01

The lowest γ-vibrational states with Kπ = 2+γ in well-deformed Dy, Er and Yb isotopes are investigated within the self-consistent separable quasiparticle random-phase-approximation (QRPA) approach based on the Skyrme functional. The energies Eγ and reduced transition probabilities B(E2)γ of the states are calculated with the Skyrme force SV-mas10. We demonstrate the strong effect of the pairing blocking on the energies of γ-vibrational states. It is also shown that collectivity of γ-vibrational states is strictly determined by keeping the Nilsson selection rules in the corresponding lowest 2qp configurations.

g-factor calculations from the generalized seniority approach

NASA Astrophysics Data System (ADS)

Maheshwari, Bhoomika; Jain, Ashok Kumar

2018-05-01

The generalized seniority approach proposed by us to understand the B(E1)/B(E2)/B(E3) properties of semi-magic nuclei has been widely successful in the explanation of the same and has led to an expansion in the scope of seniority isomers. In the present paper, we apply the generalized seniority scheme to understand the behavior of g-factors in semi-magic nuclei. We find that the magnetic moment and the gfactors do show a particle number independent behavior as expected and the understanding is consistent with the explanation of transition probabilities.

Landau-Zener extension of the Tavis-Cummings model: Structure of the solution

DOE PAGES

Sun, Chen; Sinitsyn, Nikolai A.

2016-09-07

We explore the recently discovered solution of the driven Tavis-Cummings model (DTCM). It describes interaction of an arbitrary number of two-level systems with a bosonic mode that has linearly time-dependent frequency. We derive compact and tractable expressions for transition probabilities in terms of the well-known special functions. In this form, our formulas are suitable for fast numerical calculations and analytical approximations. As an application, we obtain the semiclassical limit of the exact solution and compare it to prior approximations. Furthermore, we also reveal connection between DTCM and q-deformed binomial statistics.

Lattice gas models for particle systems in an underdamped hopping regime

NASA Astrophysics Data System (ADS)

Gobron, Thierry

A model in which the state of the particle is described by a multicomponent vector, each possible kinetic state for the particle being associated with one of the components is presented. A master equation describes the evolution of the probability distribution in an independent particle model. From the master equation and with the help of the symmetry group that leaves the state transition operator invariant, physical quantities such as the diffusion constant are explicitly calculated for several lattices in one, two, and three dimensions. A Boltzmann equation is established and compared to the Rice and Roth proposal.

Analysis of a semiclassical model for rotational transition probabilities. [in highly nonequilibrium flow of diatomic molecules

NASA Technical Reports Server (NTRS)

Deiwert, G. S.; Yoshikawa, K. K.

1975-01-01

A semiclassical model proposed by Pearson and Hansen (1974) for computing collision-induced transition probabilities in diatomic molecules is tested by the direct-simulation Monte Carlo method. Specifically, this model is described by point centers of repulsion for collision dynamics, and the resulting classical trajectories are used in conjunction with the Schroedinger equation for a rigid-rotator harmonic oscillator to compute the rotational energy transition probabilities necessary to evaluate the rotation-translation exchange phenomena. It is assumed that a single, average energy spacing exists between the initial state and possible final states for a given collision.

Multistate modeling of habitat dynamics: Factors affecting Florida scrub transition probabilities

USGS Publications Warehouse

Breininger, D.R.; Nichols, J.D.; Duncan, B.W.; Stolen, Eric D.; Carter, G.M.; Hunt, D.K.; Drese, J.H.

2010-01-01

Many ecosystems are influenced by disturbances that create specific successional states and habitat structures that species need to persist. Estimating transition probabilities between habitat states and modeling the factors that influence such transitions have many applications for investigating and managing disturbance-prone ecosystems. We identify the correspondence between multistate capture-recapture models and Markov models of habitat dynamics. We exploit this correspondence by fitting and comparing competing models of different ecological covariates affecting habitat transition probabilities in Florida scrub and flatwoods, a habitat important to many unique plants and animals. We subdivided a large scrub and flatwoods ecosystem along central Florida's Atlantic coast into 10-ha grid cells, which approximated average territory size of the threatened Florida Scrub-Jay (Aphelocoma coerulescens), a management indicator species. We used 1.0-m resolution aerial imagery for 1994, 1999, and 2004 to classify grid cells into four habitat quality states that were directly related to Florida Scrub-Jay source-sink dynamics and management decision making. Results showed that static site features related to fire propagation (vegetation type, edges) and temporally varying disturbances (fires, mechanical cutting) best explained transition probabilities. Results indicated that much of the scrub and flatwoods ecosystem was resistant to moving from a degraded state to a desired state without mechanical cutting, an expensive restoration tool. We used habitat models parameterized with the estimated transition probabilities to investigate the consequences of alternative management scenarios on future habitat dynamics. We recommend this multistate modeling approach as being broadly applicable for studying ecosystem, land cover, or habitat dynamics. The approach provides maximum-likelihood estimates of transition parameters, including precision measures, and can be used to assess evidence among competing ecological models that describe system dynamics. ?? 2010 by the Ecological Society of America.

Collisional Dynamics of the Cesium D1 and D2 Transitions

DTIC Science & Technology

2010-09-01

37 14. Comparison of Phase Changing Probability and Polarizability ...Phase Changing Probability and Polarizability for D2 Transition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 25...theoretically determined the values for broadening and shift rates for cesium with Argon , Krypton, and Xenon from the interatomic potentials [27]. The rates

On the polarization of the green emission of polyfluorenes

NASA Astrophysics Data System (ADS)

Yang, X. H.; Neher, D.; Spitz, C.; Zojer, E.; Brédas, J. L.; Güntner, R.; Scherf, U.

2003-10-01

An experimental and theoretical study of the anisotropic optical properties of polyfluorenes (PFs) bearing ketonic defects is presented. Polarized emission experiments performed on photooxidized aligned PF layers indicate that the transition dipole of the "green" CT π-π* transition of the keto-defect is oriented parallel to the chain direction. It is further observed that the polarization ratio of the green emission is slightly smaller than that of the blue emission component originating from undisturbed chains. Quantum mechanical calculations have been performed to support these observations. It is shown that the transition dipole moment of the CT π-π* transition of the defect is slightly misaligned with respect to the π-π* transition of the undisturbed PF chain, and that the angle between both depends on the chain conformation. For the most probably 5/2 helical conformation, this angle is, however, smaller than 5°. Further, polarized PL spectroscopy with polarized excitation has been performed to determine the extent of energy migration prior to emission from the keto-defect. For excitation at 380 nm, the polarization ratio of the green emission is essentially independent of the excitation polarization, indicating almost complete depolarization of the excitation before it is captured at a defect site. In contrast to this, energy migration after direct excitation of the keto-defect is inefficient or even absent.

Statistical Analysis of the Fractal Gating Motions of the Enzyme Acetylcholinesterase

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

Shen, T Y.; Tai, Kaihsu; Mccammon, Andy

The enzyme acetylcholinesterase has an active site that is accessible only by a gorge or main channel from the surface, and perhaps by secondary channels such as the back door. Molecular-dynamics simulations show that these channels are too narrow most of the time to admit substrate or other small molecules. Binding of substrates is therefore gated by structural fluctuations of the enzyme. Here, we analyze the fluctuations of these possible channels, as observed in the 10.8-ns trajectory of the simulation. The probability density function of the gorge proper radius (defined in the text) was calculated. A double-peak feature of themore » function was discovered and therefore two states with a threshold were identified. The relaxation (transition probability) functions of these two states were also calculated. The results revealed a power-law decay trend and an oscillation around it, which show properties of fractal dynamics with a complex exponent. The cross correlation of potential energy versus proper radius was also investigated. We discuss possible physical models behind the fractal protein dynamics; the dynamic hierarchical model for glassy systems is evaluated in detail.« less

Soil organic matter persistence as a stochastic process: age and transit time distributions of carbon in soils

NASA Astrophysics Data System (ADS)

Sierra, Carlos

2017-04-01

The question of why some organic matter is more persistent than other that decomposes quickly in soils has sparkled a large amount of research in recent years. Persistence is commonly characterized as the turnover or mean residence time of specific compounds or soil organic matter (SOM) pools. However, turnover and residence times are ambiguous measures of persistence, which is better characterized by the probability distribution of ages in the system and in particular pools. We calculated age distributions for a wide range of SOM models, which showed long-tail distributions far from the mean value. Age and transit time distributions from a variety of models also showed: 1) transit times are lower than ages of SOM, 2) turnover times differ significantly from mean ages in slow cycling pools, 3) change in the inputs, without changes in the allocation of photosynthetic products, has no effect on transit times, but does affect system and pool ages. We propose an index to assess persistence of C in soils that can be derived from observations alone or from models. We also ask whether random chance is an important contributor to the persistence of SOM.

Spectroscopy of Tb3+ ions in monoclinic KLu(WO4)2 crystal application of an intermediate configuration interaction theory

NASA Astrophysics Data System (ADS)

Loiko, Pavel; Volokitina, Anna; Mateos, Xavier; Dunina, Elena; Kornienko, Alexey; Vilejshikova, Elena; Aguiló, Magdalena; Díaz, Francesc

2018-04-01

The spectroscopic properties of Tb3+ ions in monoclinic KLu(WO4)2 double tungstate crystal are studied with polarized light. The absorption spectra in the visible, near- and mid-IR including the transitions to all lower-lying 7FJ (J = 0 … 5) excited states are measured. The maximum absorption cross-section for the 7F6 → 5D4 transition is 3.42 × 10-21 cm2 at 486.7 nm for light polarization E || Nm. The transition probabilities for Tb3+ ions are calculated within the Judd-Ofelt theory modified for the case of an intermediate configuration interaction (ICI). The radiative lifetime of the 5D4 state is 450 μs and the luminescence quantum yield is >90%. The polarized stimulated-emission cross-section spectra for all 5D4 → 7FJ (J = 0 … 6) emission channels are evaluated. The maximum σSE is 11.4 × 10-21 cm2 at 549.4 nm (for E || Nm). Tb3+:KLu(WO4)2 features high transition cross-sections for polarized light being promising for color-tunable visible lasers and imaging.

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

Donangelo, R.J.

An integral representation for the classical limit of the quantum mechanical S-matrix is developed and applied to heavy-ion Coulomb excitation and Coulomb-nuclear interference. The method combines the quantum principle of superposition with exact classical dynamics to describe the projectile-target system. A detailed consideration of the classical trajectories and of the dimensionless parameters that characterize the system is carried out. The results are compared, where possible, to exact quantum mechanical calculations and to conventional semiclassical calculations. It is found that in the case of backscattering the classical limit S-matrix method is able to almost exactly reproduce the quantum-mechanical S-matrix elements, andmore » therefore the transition probabilities, even for projectiles as light as protons. The results also suggest that this approach should be a better approximation for heavy-ion multiple Coulomb excitation than earlier semiclassical methods, due to a more accurate description of the classical orbits in the electromagnetic field of the target nucleus. Calculations using this method indicate that the rotational excitation probabilities in the Coulomb-nuclear interference region should be very sensitive to the details of the potential at the surface of the nucleus, suggesting that heavy-ion rotational excitation could constitute a sensitive probe of the nuclear potential in this region. The application to other problems as well as the present limits of applicability of the formalism are also discussed.« less

Stage line diagram: an age-conditional reference diagram for tracking development.

PubMed

van Buuren, Stef; Ooms, Jeroen C L

2009-05-15

This paper presents a method for calculating stage line diagrams, a novel type of reference diagram useful for tracking developmental processes over time. Potential fields of applications include: dentistry (tooth eruption), oncology (tumor grading, cancer staging), virology (HIV infection and disease staging), psychology (stages of cognitive development), human development (pubertal stages) and chronic diseases (stages of dementia). Transition probabilities between successive stages are modeled as smoothly varying functions of age. Age-conditional references are calculated from the modeled probabilities by the mid-P value. It is possible to eliminate the influence of age by calculating standard deviation scores (SDS). The method is applied to the empirical data to produce reference charts on secondary sexual maturation. The mean of the empirical SDS in the reference population is close to zero, whereas the variance depends on age. The stage line diagram provides quick insight into both status (in SDS) and tempo (in SDS/year) of development of an individual child. Other measures (e.g. height SDS, body mass index SDS) from the same child can be added to the chart. Diagrams for sexual maturation are available as a web application at http://vps.stefvanbuuren.nl/puberty. The stage line diagram expresses status and tempo of discrete changes on a continuous scale. Wider application of these measures scores opens up new analytic possibilities. (c) 2009 John Wiley & Sons, Ltd.

Formula for the Transition Probability Induced by Long-range Potential Terms Varying as R-8 and R-10 for Atom-dimer Collisions

NASA Astrophysics Data System (ADS)

Matthews, N. F.; Robson, D.; Grant, M. A.

1990-12-01

An explicit formula is derived for the transition probability between two different states of the atom-dimer collisional system governed by second-order long-range interaction potential terms varying as R-8 and R-10.

Theory of Disk-to-Vesicle Transformation

NASA Astrophysics Data System (ADS)

Li, Jianfeng; Shi, An-Chang

2009-03-01

Self-assembled membranes from amphiphilic molecules, such as lipids and block copolymers, can assume a variety of morphologies dictated by energy minimization of system. The membrane energy is characterized by a bending modulus (κ), a Gaussian modulus (κG), and the line tension (γ) of the edge. Two basic morphologies of membranes are flat disks that minimize the bending energy at the cost of the edge energy, and enclosed vesicles that minimize the edge energy at the cost of bending energy. In our work, the transition from disk to vesicle is studied theoretically using the string method, which is designed to find the minimum energy path (MEP) or the most probable transition path between two local minima of an energy landscape. Previous studies of disk-to-vesicle transition usually approximate the transitional states by a series of spherical cups, and found that the spherical cups do not correspond to stable or meta-stable states of the system. Our calculation demonstrates that the intermediate shapes along the MEP are very different from spherical cups. Furthermore, some of these transitional states can be meta-stable. The disk-to-vesicle transition pathways are governed by two scaled parameters, κG/κ and γR0/4κ, where R0 is the radius of the disk. In particular, a meta-stable intermediate state is predicted, which may correspond to the open morphologies observed in experiments and simulations.

Anticipating abrupt shifts in temporal evolution of probability of eruption

NASA Astrophysics Data System (ADS)

Rohmer, J.; Loschetter, A.

2016-04-01

Estimating the probability of eruption by jointly accounting for different sources of monitoring parameters over time is a key component for volcano risk management. In the present study, we are interested in the transition from a state of low-to-moderate probability value to a state of high probability value. By using the data of MESIMEX exercise at the Vesuvius volcano, we investigated the potential for time-varying indicators related to the correlation structure or to the variability of the probability time series for detecting in advance this critical transition. We found that changes in the power spectra and in the standard deviation estimated over a rolling time window both present an abrupt increase, which marks the approaching shift. Our numerical experiments revealed that the transition from an eruption probability of 10-15% to > 70% could be identified up to 1-3 h in advance. This additional lead time could be useful to place different key services (e.g., emergency services for vulnerable groups, commandeering additional transportation means, etc.) on a higher level of alert before the actual call for evacuation.

Structural and luminescence studies of Ho{sup 3+}-doped zinc-aluminium-sodium-phosphate (ZANP) glasses

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

Brahmachary, K.; Rajesh, D.; Ratnakaram, Y. C., E-mail: ratnakaramsvu@gmail.com

Trivalent holmium doped zinc-aluminium-sodium-phosphate (ZANP) glasses were prepared by conventional melt-quenching technique and characterized for their structural and luminescence properties. The amorphous nature, elemental analysis and thermal stability of the glasses were studied by using X-ray diffraction, energy dispersive spectrum and differential scanning calorimetry analysis, respectively. The absorption and fluorescence spectra have been recorded at room temperature. Based on the absorption spectra, the Judd-Ofelt parameters and radiative parameters such as spontaneous transition probabilities (A{sub R}), branching ratios (β{sub R}), radiative lifetimes (τ{sub R}) were calculated and discussed. From the emission spectra emission peak positions (λ{sub P}), effective bandwidths (Δλ{sub eff})more » and stimulated emission cross-sections (σ{sub P}) were calculated for the observed emission transitions,{sup 5}S{sub 2} ({sup 5}F{sub 4}→{sup 5}I{sub 8}) and {sup 5}F{sub 5}→{sup 5}I{sub 8} in all the glass samples. The stimulated emission cross-section is higher for ZANPHo10 glass matrix and so it may be useful for laser excitation.« less

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.; Reed, J. A.

2011-03-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which results from diffusion of oxygen into the sub-surface regions. In this work we present the results of an ab-initio investigation of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the Cu(100) missing row reconstructed surface under conditions of high oxygen coverage. Calculations are performed for various surface and subsurface oxygen coverages ranging from 0.50 to 1.50 monolayers. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. Estimates of the positron binding energy, positron work function, and annihilation characteristics reveal their sensitivity to atomic structure of the topmost layers of the surface and charge transfer. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

Analysis on energy transfer process of Ho3+ doped fluoroaluminate glass sensitized by Yb3+ for mid-infrared 2.85 μm emission

NASA Astrophysics Data System (ADS)

Zhou, Beier; Wei, Tao; Cai, Muzhi; Tian, Ying; Zhou, Jiajia; Deng, Degang; Xu, Shiqing; Zhang, Junjie

2014-12-01

This work reports the mid-infrared emission properties around 2.85 μm in a Yb3+/Ho3+ codoped fluoroaluminate glass. This fluoroaluminate glass shows a good thermal stability and high transmittance around 3 μm. The mid-infrared emission characteristics and energy transfer mechanism upon the excitation of the conventional 980 nm laser diode have been investigated. The prepared glass possesses higher spontaneous transition probability (31.77 s-1) along with the larger calculated emission cross section (1.91×10-20 cm2) corresponding to the laser transition of Ho3+:5I6→5I7. Besides, the upconversion, 1.2 μm and 2 μm fluorescence spectra were measured to understand mid-infrared emission behavior together with decay curves of Ho3+:5I6 level. Moreover, energy transfer microparameters between Yb3+ and Ho3+ were calculated and discussed based on Dexter's model. Hence, the advantageous spectroscopic characteristics of Yb3+/Ho3+ codoped fluoroaluminate glass as well as the good thermal property indicate that this kind of glass is an attractive host for developing mid-infrared solid state laser.

Changes in EEG activity and hypothalamic temperature as indices for non-REM sleep to REM sleep transitions.

PubMed

Capitani, Paolo; Cerri, Matteo; Amici, Roberto; Baracchi, Francesca; Jones, Christine Ann; Luppi, Marco; Perez, Emanuele; Parmeggiani, Pier Luigi; Zamboni, Giovanni

A shift of physiological regulations from a homeostatic to a non-homeostatic modality characterizes the passage from non-NREM sleep (NREMS) to REM sleep (REMS). In the rat, an EEG index which allows the automatic scoring of transitions from NREMS to REMS has been proposed: the NREMS to REMS transition indicator value, NIV [J.H. Benington et al., Sleep 17 (1994) 28-36]. However, such transitions are not always followed by a REMS episode, but are often followed by an awakening. In the present study, the relationship between changes in EEG activity and hypothalamic temperature (Thy), taken as an index of autonomic activity, was studied within a window consisting of the 60s which precedes a state change from a consolidated NREMS episode. Furthermore, the probability that a transition would lead to REMS or wake was analysed. The results showed that, within this time window, both a modified NIV (NIV(60)) and the difference between Thy at the limits of the window (Thy(D)) were related to the probability of REMS onset. Both the relationship between the indices and the probability of REMS onset was sigmoid, the latter of which saturated at a probability level around 50-60%. The efficacy for the prediction of successful transitions from NREMS to REMS found using Thy(D) as an index supports the view that such a transition is a dynamic process where the physiological risk to enter REMS is weighted at a central level.

Examining Spillovers between Long and Short Repeated Prisoner’s Dilemma Games Played in the Laboratory

PubMed Central

Arechar, Antonio A.; Kouchaki, Maryam; Rand, David G.

2018-01-01

We had participants play two sets of repeated Prisoner’s Dilemma (RPD) games, one with a large continuation probability and the other with a small continuation probability, as well as Dictator Games (DGs) before and after the RPDs. We find that, regardless of which is RPD set is played first, participants typically cooperate when the continuation probability is large and defect when the continuation probability is small. However, there is an asymmetry in behavior when transitioning from one continuation probability to the other. When switching from large to small, transient higher levels of cooperation are observed in the early games of the small continuation set. Conversely, when switching from small to large, cooperation is immediately high in the first game of the large continuation set. We also observe that response times increase when transitioning between sets of RPDs, except for altruistic participants transitioning into the set of RPDs with long continuation probabilities. These asymmetries suggest a bias in favor of cooperation. Finally, we examine the link between altruism and RPD play. We find that small continuation probability RPD play is correlated with giving in DGs played before and after the RPDs, whereas high continuation probability RPD play is not. PMID:29809199

The ferromagnetic-spin glass transition in PdMn alloys: symmetry breaking of ferromagnetism and spin glass studied by a multicanonical method.

PubMed

Kato, Tomohiko; Saita, Takahiro

2011-03-16

The magnetism of Pd(1-x)Mn(x) is investigated theoretically. A localized spin model for Mn spins that interact with short-range antiferromagnetic interactions and long-range ferromagnetic interactions via itinerant d electrons is set up, with no adjustable parameters. A multicanonical Monte Carlo simulation, combined with a procedure of symmetry breaking, is employed to discriminate between the ferromagnetic and spin glass orders. The transition temperature and the low-temperature phase are determined from the temperature variation of the specific heat and the probability distributions of the ferromagnetic order parameter and the spin glass order parameter at different concentrations. The calculation results reveal that only the ferromagnetic phase exists at x < 0.02, that only the spin glass phase exists at x > 0.04, and that the two phases coexist at intermediate concentrations. This result agrees semi-quantitatively with experimental results.

Tilted-axis wobbling in odd-mass nuclei

NASA Astrophysics Data System (ADS)

Budaca, R.

2018-02-01

A triaxial rotor Hamiltonian with a rigidly aligned high-j quasiparticle is treated by a time-dependent variational principle, using angular momentum coherent states. The resulting classical energy function has three unique critical points in a space of generalized conjugate coordinates, which can minimize the energy for specific ordering of the inertial parameters and a fixed angular momentum state. Because of the symmetry of the problem, there are only two unique solutions, corresponding to wobbling motion around a principal axis and, respectively, a tilted axis. The wobbling frequencies are obtained after a quantization procedure and then used to calculate E 2 and M 1 transition probabilities. The analytical results are employed in the study of the wobbling excitations of 135Pr nucleus, which is found to undergo a transition from low angular momentum transverse wobbling around a principal axis toward a tilted-axis wobbling at higher angular momentum.

Regional Classification of Traditional Japanese Folk Songs

NASA Astrophysics Data System (ADS)

Kawase, Akihiro; Tokosumi, Akifumi

In this study, we focus on the melodies of Japanese folk songs, and examine the basic structures of Japanese folk songs that represent the characteristics of different regions. We sample the five largest song genres within the music corpora of the Nihon Min-yo Taikan (Anthology of Japanese Folk Songs), consisting of 202,246 tones from 1,794 song pieces from 45 prefectures in Japan. Then, we calculate the probabilities of 24 transition patterns that fill the interval of the perfect fourth pitch, which is the interval that maintains most of the frequency for one-step and two-step pitch transitions within 11 regions, in order to determine the parameters for cluster analysis. As a result, we successively classify the regions into two basic groups, eastern Japan and western Japan, which corresponds to geographical factors and cultural backgrounds, and also match accent distributions in the Japanese language.

Spectroscopic analysis of transition state energy levels - Bending-rotational spectrum and lifetime analysis of H3 quasibound states

NASA Technical Reports Server (NTRS)

Zhao, Meishan; Mladenovic, Mirjana; Truhlar, Donald G.; Schwenke, David W.; Sharafeddin, Omar

1989-01-01

Converged quantum mechanical calculations of scattering matrices and transition probabilities are reported for the reaction of H with H2 with total angular momentum 0, 1, and 4 as functions of total energy in the range 0.85-1.15 eV on an accurate potential energy surface. The resonance structure is illustrated with Argand diagrams. State-to-state reactive collision delay times and lifetimes are presented. For J = 0, 1, and 4, the lowest-energy H3 resonance is at total energies of 0.983, 0.985, and 1.01 eV, respectively, with lifetimes of about 16-17 fs. For J = 1 and 4 there is a higher-energy resonance at 1.10-1.11 eV. For J = 1 the lifetime is about 4 fs and for J = 4 it is about 1 fs.

Optical transitions of Er3+/Yb3+ codoped TeO2-WO3-Bi2O3 glass.

PubMed

Shen, Xiang; Nie, Qiuhua; Xu, Tiefeng; Gao, Yuan

2005-10-01

Optical absorption and emission properties of the Er3+/Yb3+ codoped TeO2-WO3-Bi2O3 (TWB) glass has been investigated. The transition probabilities, excited state lifetimes, and the branching ratios have been predicted for Er3+ based on the Judd-Ofelt theory. The broad 1.5 microm fluorescence was observed under 970 nm excitation, and its full width at half maximum (FWHM) is 77 nm. The emission cross-section is calculated using the McCumber theory, and the peak emission cross-section is 1.03 x 10(-21) cm2 at 1.531 microm. This value is much larger than those of the silicate and phosphate glasses. Efficient green and weak red upconversion luminescence from Er3+ centers in the glass sample was observed at room temperature, and the upconversion excitation processes have been analyzed.

Optical spectroscopy, 1.06 μm emission properties of Nd3 +-doped phosphate based glasses

NASA Astrophysics Data System (ADS)

Sk. Nayab, Rasool; Sasikala, T.; Mohan Babu, A.; Rama Moorthy, L.; C. K., Jayasankar

2017-06-01

Neodymium doped phosphate based glasses with composition of (P2O5 + K2O + Al2O3 + CaF2) were prepared. The samples were analysed through differential thermal analysis (DTA), Fourier transform infrared (FTIR), absorption, emission and decay measurements. Judd-Ofelt parameters (Ωλ) have been determined from the spectral intensities of absorption bands in order to calculate the radiative parameters like radiative transition probabilities (AR), radiative lifetime (τR) and branching ratios (βR) for the 4F3/2 → 4I11/2 laser transition of Nd3 + ion. The effective emission bandwidths (Δλeff), experimental branching ratios (βexp) and stimulated emission cross-sections (σe) have been determined from the emission spectrum. The decay curves of the 4F3/2 level exhibited almost single exponential nature for all the Nd3 + ion concentrations.

PHYSICAL EFFECTS OCCURRING DURING GENERATION AND AMPLIFICATION OF LASER RADIATION: Self-induced resonance under conditions of radiative equilibrium of quasienergy states in a three-level system

NASA Astrophysics Data System (ADS)

Sarkisyan, M. A.

1989-02-01

An analysis is made of the interaction of a three-level "cascade" atomic system with a resonant laser field. An investigation is made of the dynamics of the populations of the quasienergy states and of the atomic levels over times greater than the spontaneous transition times. In the steady-state regime the distribution of atoms over various quasienergy states is obtained under two-photon resonance conditions and for the case when all the resonances are strong. It is found that a suitable selection of the interaction parameters can establish an inversion between the quasienergy states and also due to atomic transitions. The total probability of spontaneous scattering is calculated. It is shown that, under two-photon resonance conditions, the scattering intensity increases sharply due to a self-induced resonance.

Spectrum and Energy Levels of Five-Times Ionized Zirconium (Zr VI)

PubMed Central

Lindsay, Mark D.

2016-01-01

We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan Z. A. et al. 1985 Phys. Scr. 31 837 contained a significant number of incorrect energy levels. We have now classified ∼420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ∼135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777380±300 cm-1 (96.38±0.04 eV). PMID:27325903

Spectrum and Energy Levels of Five-Times Ionized Zirconium (Zr VI).

PubMed

Reader, Joseph; Lindsay, Mark D

2016-02-01

We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan Z. A. et al. 1985 Phys. Scr. 31 837 contained a significant number of incorrect energy levels. We have now classified ∼420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s 2 4p 5 , 4s4p 6 , 4s 2 4p 4 4d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s 2 4p 4 5d are tentative. We determined Ritz-type wavelengths for ∼135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777380±300 cm -1 (96.38±0.04 eV).

Spectrum and energy levels of five-times ionized zirconium (Zr VI)

NASA Astrophysics Data System (ADS)

Reader, Joseph; Lindsay, Mark D.

2016-02-01

We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ˜420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ˜135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm-1 (96.38 ± 0.04 eV).

Psychological and Social Risk Factors in Adolescent Smoking Transitions: A Population-Based Longitudinal Study

PubMed Central

Bricker, Jonathan B.; Rajan, K. Bharat; Zalewski, Maureen; Andersen, M. Robyn; Ramey, Madelaine; Peterson, Arthur V.

2009-01-01

Objective This study longitudinally investigated psychological and social risk factors consistent with the Theory of Triadic Influence (TTI) as predictors of adolescent smoking transitions. Design Among 4218 adolescents, five psychological risk factors (i.e., parent-noncompliance, friend-compliance, rebelliousness, low achievement motivation, and thrill seeking) were assessed in 9th grade (age 14), two social influence risk factors (i.e., parents’ and close friends’ smoking) were assessed in grades 3 (age 8) and 9 (age 14), respectively. Main Outcome Measures Adolescent smoking transitions occurring between the 9th and 12th (ages 14–17) grade interval. Results There was a 22–27% probability contributed by scoring high on each of these psychological risk factors to the overall probability that an adolescent would try smoking. For predicting trying smoking, the probability contributed by these psychological factors was greater than the probability contributed by each parent’s and close friend’s smoking. Parent-compliance had a higher contribution to the probability of trying smoking when an adolescent’s parent smoked (p < .05), while friend-compliance had a higher contribution to the probability of trying smoking when an adolescent’s friend smoked (p<.001). Conclusion These psychological and social factors have an important influence on adolescent smoking transitions. Implications for TTI and smoking prevention interventions are discussed. PMID:19594268

Real-time network security situation visualization and threat assessment based on semi-Markov process

NASA Astrophysics Data System (ADS)

Chen, Junhua

2013-03-01

To cope with a large amount of data in current sensed environments, decision aid tools should provide their understanding of situations in a time-efficient manner, so there is an increasing need for real-time network security situation awareness and threat assessment. In this study, the state transition model of vulnerability in the network based on semi-Markov process is proposed at first. Once events are triggered by an attacker's action or system response, the current states of the vulnerabilities are known. Then we calculate the transition probabilities of the vulnerability from the current state to security failure state. Furthermore in order to improve accuracy of our algorithms, we adjust the probabilities that they exploit the vulnerability according to the attacker's skill level. In the light of the preconditions and post-conditions of vulnerabilities in the network, attack graph is built to visualize security situation in real time. Subsequently, we predict attack path, recognize attack intention and estimate the impact through analysis of attack graph. These help administrators to insight into intrusion steps, determine security state and assess threat. Finally testing in a network shows that this method is reasonable and feasible, and can undertake tremendous analysis task to facilitate administrators' work.

A statistical rain attenuation prediction model with application to the advanced communication technology satellite project. Part 2: Theoretical development of a dynamic model and application to rain fade durations and tolerable control delays for fade countermeasures

NASA Technical Reports Server (NTRS)

Manning, Robert M.

1987-01-01

A dynamic rain attenuation prediction model is developed for use in obtaining the temporal characteristics, on time scales of minutes or hours, of satellite communication link availability. Analagous to the associated static rain attenuation model, which yields yearly attenuation predictions, this dynamic model is applicable at any location in the world that is characterized by the static rain attenuation statistics peculiar to the geometry of the satellite link and the rain statistics of the location. Such statistics are calculated by employing the formalism of Part I of this report. In fact, the dynamic model presented here is an extension of the static model and reduces to the static model in the appropriate limit. By assuming that rain attenuation is dynamically described by a first-order stochastic differential equation in time and that this random attenuation process is a Markov process, an expression for the associated transition probability is obtained by solving the related forward Kolmogorov equation. This transition probability is then used to obtain such temporal rain attenuation statistics as attenuation durations and allowable attenuation margins versus control system delay.

Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

PubMed

Kwasniok, Frank

2013-11-01

A time series analysis method for predicting the probability density of a dynamical system is proposed. A nonstationary parametric model of the probability density is estimated from data within a maximum likelihood framework and then extrapolated to forecast the future probability density and explore the system for critical transitions or tipping points. A full systematic account of parameter uncertainty is taken. The technique is generic, independent of the underlying dynamics of the system. The method is verified on simulated data and then applied to prediction of Arctic sea-ice extent.

Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory

NASA Astrophysics Data System (ADS)

Jensen, Christian H.; Nerukh, Dmitry; Glen, Robert C.

2008-03-01

We investigate the sensitivity of a Markov model with states and transition probabilities obtained from clustering a molecular dynamics trajectory. We have examined a 500ns molecular dynamics trajectory of the peptide valine-proline-alanine-leucine in explicit water. The sensitivity is quantified by varying the boundaries of the clusters and investigating the resulting variation in transition probabilities and the average transition time between states. In this way, we represent the effect of clustering using different clustering algorithms. It is found that in terms of the investigated quantities, the peptide dynamics described by the Markov model is sensitive to the clustering; in particular, the average transition times are found to vary up to 46%. Moreover, inclusion of nonphysical sparsely populated clusters can lead to serious errors of up to 814%. In the investigation, the time step used in the transition matrix is determined by the minimum time scale on which the system behaves approximately Markovian. This time step is found to be about 100ps. It is concluded that the description of peptide dynamics with transition matrices should be performed with care, and that using standard clustering algorithms to obtain states and transition probabilities may not always produce reliable results.

Method of self-consistent evaluation of absolute emission probabilities of particles and gamma rays

NASA Astrophysics Data System (ADS)

Badikov, Sergei; Chechev, Valery

2017-09-01

In assumption of well installed decay scheme the method provides a) exact balance relationships, b) lower (compared to the traditional techniques) uncertainties of recommended absolute emission probabilities of particles and gamma rays, c) evaluation of correlations between the recommended emission probabilities (for the same and different decay modes). Application of the method for the decay data evaluation for even curium isotopes led to paradoxical results. The multidimensional confidence regions for the probabilities of the most intensive alpha transitions constructed on the basis of present and the ENDF/B-VII.1, JEFF-3.1, DDEP evaluations are inconsistent whereas the confidence intervals for the evaluated probabilities of single transitions agree with each other.

Capture-recapture studies for multiple strata including non-markovian transitions

USGS Publications Warehouse

Brownie, C.; Hines, J.E.; Nichols, J.D.; Pollock, K.H.; Hestbeck, J.B.

1993-01-01

We consider capture-recapture studies where release and recapture data are available from each of a number of strata on every capture occasion. Strata may, for example, be geographic locations or physiological states. Movement of animals among strata occurs with unknown probabilities, and estimation of these unknown transition probabilities is the objective. We describe a computer routine for carrying out the analysis under a model that assumes Markovian transitions and under reduced parameter versions of this model. We also introduce models that relax the Markovian assumption and allow 'memory' to operate (i.e., allow dependence of the transition probabilities on the previous state). For these models, we sugg st an analysis based on a conditional likelihood approach. Methods are illustrated with data from a large study on Canada geese (Branta canadensis) banded in three geographic regions. The assumption of Markovian transitions is rejected convincingly for these data, emphasizing the importance of the more general models that allow memory.

Lattice dynamics of solid N2 with an ab initio intermolecular potential

NASA Astrophysics Data System (ADS)

Luty, T.; van der Avoird, A.; Berns, R. M.

1980-11-01

We have performed harmonic and self-consistent phonon lattice dynamics calculations for α and γ N2 crystals using an intermolecular potential from ab initio calculations. This potential contains electrostatic (multipole) interactions, up to all R-9 terms inclusive, anisotropic dispersion interactions up to all R-10 terms inclusive, and anisotropic overlap interactions caused by charge penetration and exchange between the molecules. The lattice constants, cohesion energy, the frequencies of the translational phonon modes and the Grüneisen parameters for the librational modes are in good agreement with experimental values, confirming the quality of the potential. The frequencies of the librational modes and those of the mixed modes are less well reproduced, especially at temperatures near the α-β phase transition. Probably, the self-consistent phonon method used does not fully account for the anharmonicity in the librations.

Siegert-state expansion for nonstationary systems. IV. Three-dimensional case

NASA Astrophysics Data System (ADS)

Tolstikhin, Oleg I.

2008-03-01

The Siegert-state expansion approach [O. I. Tolstikhin, Phys. Rev. A 73, 062705 (2006)] is extended to the three-dimensional case. Coupled equations defining the time evolution of coefficients in the expansion of the solution to the time-dependent Schrödinger equation in terms of partial-wave Siegert states are derived, and physical observables (probabilities of transitions to discrete states and the momentum distribution of ejected particles) are expressed in terms of these coefficients. The approach is implemented in terms of Siegert pseudostates and illustrated by calculations of the photodetachment of H- by strong high-frequency laser pulses. The present calculations demonstrate that the interference effect in the laser-atom interaction dynamics found recently in the one-dimensional case [K. Toyota , Phys. Rev. A 76, 043418 (2007)] reveals itself in the three-dimensional case as well.

Under the hood of statistical learning: A statistical MMN reflects the magnitude of transitional probabilities in auditory sequences.

PubMed

Koelsch, Stefan; Busch, Tobias; Jentschke, Sebastian; Rohrmeier, Martin

2016-02-02

Within the framework of statistical learning, many behavioural studies investigated the processing of unpredicted events. However, surprisingly few neurophysiological studies are available on this topic, and no statistical learning experiment has investigated electroencephalographic (EEG) correlates of processing events with different transition probabilities. We carried out an EEG study with a novel variant of the established statistical learning paradigm. Timbres were presented in isochronous sequences of triplets. The first two sounds of all triplets were equiprobable, while the third sound occurred with either low (10%), intermediate (30%), or high (60%) probability. Thus, the occurrence probability of the third item of each triplet (given the first two items) was varied. Compared to high-probability triplet endings, endings with low and intermediate probability elicited an early anterior negativity that had an onset around 100 ms and was maximal at around 180 ms. This effect was larger for events with low than for events with intermediate probability. Our results reveal that, when predictions are based on statistical learning, events that do not match a prediction evoke an early anterior negativity, with the amplitude of this mismatch response being inversely related to the probability of such events. Thus, we report a statistical mismatch negativity (sMMN) that reflects statistical learning of transitional probability distributions that go beyond auditory sensory memory capabilities.

Transition and Damping of Collective Modes in a Trapped Fermi Gas between BCS and Unitary Limits near the Phase Transition

PubMed Central

Dong, Hang; Zhang, Wenyuan; Zhou, Li; Ma, Yongli

2015-01-01

We investigate the transition and damping of low-energy collective modes in a trapped unitary Fermi gas by solving the Boltzmann-Vlasov kinetic equation in a scaled form, which is combined with both the T-matrix fluctuation theory in normal phase and the mean-field theory in order phase. In order to connect the microscopic and kinetic descriptions of many-body Feshbach scattering, we adopt a phenomenological two-fluid physical approach, and derive the coupling constants in the order phase. By solving the Boltzmann-Vlasov steady-state equation in a variational form, we calculate two viscous relaxation rates with the collision probabilities of fermion’s scattering including fermions in the normal fluid and fermion pairs in the superfluid. Additionally, by considering the pairing and depairing of fermions, we get results of the frequency and damping of collective modes versus temperature and s-wave scattering length. Our theoretical results are in a remarkable agreement with the experimental data, particularly for the sharp transition between collisionless and hydrodynamic behaviour and strong damping between BCS and unitary limits near the phase transition. The sharp transition originates from the maximum of viscous relaxation rate caused by fermion-fermion pair collision at the phase transition point when the fermion depair, while the strong damping due to the fast varying of the frequency of collective modes from BCS limit to unitary limit. PMID:26522094

The Association of Trip Distance With Walking To Reach Public Transit: Data from the California Household Travel Survey.

PubMed

Durand, Casey P; Tang, Xiaohui; Gabriel, Kelley P; Sener, Ipek N; Oluyomi, Abiodun O; Knell, Gregory; Porter, Anna K; Oelscher, Deanna M; Kohl, Harold W

2016-06-01

Use of public transit is cited as a way to help individuals incorporate regular physical activity into their day. As a novel research topic, however, there is much we do not know. The aim of this analysis was to identify the correlation between distance to a transit stop and the probability it will be accessed by walking. We also sought to understand if this relation was moderated by trip, personal or household factors. Data from the 2012 California Household Travel Survey was used for this cross-sectional analysis. 2,573 individuals were included, representing 6,949 transit trips. Generalized estimating equations modeled the probability of actively accessing public transit as a function of distance from origin to transit stop, and multiple trip, personal and household variables. Analyses were conducted in 2014 and 2015. For each mile increase in distance from the point of origin to the transit stop, the probability of active access decreased by 12%. With other factors held equal, at two miles from a transit stop there is a 50% chance someone will walk to a stop versus non-active means. The distance-walking relation was modified by month the trips were taken. Individuals appear to be willing to walk further to reach transit than existing guidelines indicate. This implies that for any given transit stop, the zone of potential riders who will walk to reach transit is relatively large. Future research should clarify who transit-related walkers are, and why some are more willing to walk longer distances to transit than others.

The Association of Trip Distance With Walking To Reach Public Transit: Data from the California Household Travel Survey

PubMed Central

Durand, Casey P.; Tang, Xiaohui; Gabriel, Kelley P.; Sener, Ipek N.; Oluyomi, Abiodun O.; Knell, Gregory; Porter, Anna K.; oelscher, Deanna M.; Kohl, Harold W.

2015-01-01

Introduction Use of public transit is cited as a way to help individuals incorporate regular physical activity into their day. As a novel research topic, however, there is much we do not know. The aim of this analysis was to identify the correlation between distance to a transit stop and the probability it will be accessed by walking. We also sought to understand if this relation was moderated by trip, personal or household factors. Methods Data from the 2012 California Household Travel Survey was used for this cross-sectional analysis. 2,573 individuals were included, representing 6,949 transit trips. Generalized estimating equations modeled the probability of actively accessing public transit as a function of distance from origin to transit stop, and multiple trip, personal and household variables. Analyses were conducted in 2014 and 2015. Results For each mile increase in distance from the point of origin to the transit stop, the probability of active access decreased by 12%. With other factors held equal, at two miles from a transit stop there is a 50% chance someone will walk to a stop versus non-active means. The distance-walking relation was modified by month the trips were taken. Conclusions Individuals appear to be willing to walk further to reach transit than existing guidelines indicate. This implies that for any given transit stop, the zone of potential riders who will walk to reach transit is relatively large. Future research should clarify who transit-related walkers are, and why some are more willing to walk longer distances to transit than others. PMID:27429905

Thermal stability and Judd-Ofelt analysis of optical properties of Sm3+-doped sodium tellurite glasses

NASA Astrophysics Data System (ADS)

Mawlud, Saman Q.; Ameena, Mudhafar M.; Sahar, Md. Rahim; Mahraz, Zahra A. Said; Ahmed, Kasim Fawzy

2017-09-01

Series of glasses based on (70-x) TeO2 - 20Na2O - xSm2O3 (x=0, 0.3, 0.6, 1, 1.2, 1.5 mol%) have been prepared using melt-quenching technique. The nature of the glass has been confirmed using X-ray diffraction; it is found that the glass samples are amorphous in nature. The thermal stability of the glass has been determined by means of Differential Thermal Analysis (DTA). From the DTA curve, the glass transition temperature (Tg), crystallization temperature (Tc) and melting temperature (Tm) have been identified and thermal stability is also calculated. The absorption properties of these samples are obtained by using UV-Visible-NIR spectrometer, the recorded absorption spectra exhibit nine absorption transition bands peaks corresponding to the transitions from ground level 6H5/2→6P3/2, 4I11/2, 6F11/2, 6F9/2, 6F7/2, 6F5/2, 6F3/2, 6H15/2 and 6F1/2. The emission characteristic of this glass is characterized using Photoluminescence (PL) spectroscopy at excited wavelength 404 nm, the emission spectra consisted of four emission bands at 561.95 nm, 598.69 nm, 643.77 nm and 704.56 nm which were assigned as a transition 4G5/2→6H5/2, 6H7/2, 6H9/2 and 6H11/2 respectively. From f-f intensity model the experimental oscillator strengths, fexp and theoretical oscillator strength fcal were calculated. Using Judd-Ofelt theory and fit process of least square, the phenomenological intensity parameters Ωλ (λ=2,4,6) were obtained, In order to evaluate potential applications of Sm3+ ions in telluride glasses, the spectroscopic parameters: transition probability AR, branching ratio Br, radiative life time τr, emission pick cross section σλ for each band were calculated. The comparative studies with other Sm3+ doped different glasses showed that present glasses could be a potential candidate for lasers.

Edge profiles in K shell photoabsorption spectra of gaseous hydrides of 3p elements and homologues

NASA Astrophysics Data System (ADS)

Hauko, R.; Gomilšek, J. Padežnik; Kodre, A.; Arčon, I.; Aquilanti, G.

2017-10-01

Photoabsorption spectra of gaseous hydrides of 3p elements (PH3, H2S, HCl) are measured in the energy region of photoexcitations pertaining to K edge. The analysis of the edge profile is extended to hydrides of 4p series (GeH4, AsH3, H2Se, HBr) from an earlier experiment, and to published spectra of 2p hydrides (CH4, NH3, H2O, HF) and noble gases Ar, Kr and Ne and SiH4. The edge profiles are modelled with a linear combination of lorentzian components, describing excitations to individual bound states and to continuum. Transition energies and probabilities are also calculated in the non-relativistic molecular model of the ORCA code, in good agreement with the experiment. Edge profiles in the heavier homologues are closely similar, the symmetry of the molecule governs the transitions to the lowest unoccupied orbitals. In 2p series the effect of the strong nuclear potential prevails. Transitions to higher, atomic-like levels remain very much the same as in free atoms.

Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

NASA Astrophysics Data System (ADS)

Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

2017-03-01

The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Effects of Contextual Predictability and Transitional Probability on Eye Movements During Reading

ERIC Educational Resources Information Center

Frisson, Steven; Rayner, Keith; Pickering, Martin J.

2005-01-01

In 2 eye-movement experiments, the authors tested whether transitional probability (the statistical likelihood that a word precedes or follows another word) affects reading times and whether this occurs independently from contextual predictability effects. Experiment 1 showed early effects of predictability, replicating S. A. McDonald and R. C.…

Using optimal transport theory to estimate transition probabilities in metapopulation dynamics

USGS Publications Warehouse

Nichols, Jonathan M.; Spendelow, Jeffrey A.; Nichols, James D.

2017-01-01

This work considers the estimation of transition probabilities associated with populations moving among multiple spatial locations based on numbers of individuals at each location at two points in time. The problem is generally underdetermined as there exists an extremely large number of ways in which individuals can move from one set of locations to another. A unique solution therefore requires a constraint. The theory of optimal transport provides such a constraint in the form of a cost function, to be minimized in expectation over the space of possible transition matrices. We demonstrate the optimal transport approach on marked bird data and compare to the probabilities obtained via maximum likelihood estimation based on marked individuals. It is shown that by choosing the squared Euclidean distance as the cost, the estimated transition probabilities compare favorably to those obtained via maximum likelihood with marked individuals. Other implications of this cost are discussed, including the ability to accurately interpolate the population's spatial distribution at unobserved points in time and the more general relationship between the cost and minimum transport energy.

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH{sub 4} system

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

Li, Jun, E-mail: jli15@cqu.edu.cn, E-mail: zhangdh@dicp.ac.cn; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131; Chen, Jun

2015-05-28

We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including themore » abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].« less

Modified wind chill temperatures determined by a whole body thermoregulation model and human-based facial convective coefficients.

PubMed

Shabat, Yael Ben; Shitzer, Avraham; Fiala, Dusan

2014-08-01

Wind chill equivalent temperatures (WCETs) were estimated by a modified Fiala's whole body thermoregulation model of a clothed person. Facial convective heat exchange coefficients applied in the computations concurrently with environmental radiation effects were taken from a recently derived human-based correlation. Apart from these, the analysis followed the methodology used in the derivation of the currently used wind chill charts. WCET values are summarized by the following equation:[Formula: see text]Results indicate consistently lower estimated facial skin temperatures and consequently higher WCETs than those listed in the literature and used by the North American weather services. Calculated dynamic facial skin temperatures were additionally applied in the estimation of probabilities for the occurrence of risks of frostbite. Predicted weather combinations for probabilities of "Practically no risk of frostbite for most people," for less than 5 % risk at wind speeds above 40 km h(-1), were shown to occur at air temperatures above -10 °C compared to the currently published air temperature of -15 °C. At air temperatures below -35 °C, the presently calculated weather combination of 40 km h(-1)/-35 °C, at which the transition for risks to incur a frostbite in less than 2 min, is less conservative than that published: 60 km h(-1)/-40 °C. The present results introduce a fundamentally improved scientific basis for estimating facial skin temperatures, wind chill temperatures and risk probabilities for frostbites over those currently practiced.

Modified wind chill temperatures determined by a whole body thermoregulation model and human-based facial convective coefficients

NASA Astrophysics Data System (ADS)

Shabat, Yael Ben; Shitzer, Avraham; Fiala, Dusan

2014-08-01

Wind chill equivalent temperatures (WCETs) were estimated by a modified Fiala's whole body thermoregulation model of a clothed person. Facial convective heat exchange coefficients applied in the computations concurrently with environmental radiation effects were taken from a recently derived human-based correlation. Apart from these, the analysis followed the methodology used in the derivation of the currently used wind chill charts. WCET values are summarized by the following equation: Results indicate consistently lower estimated facial skin temperatures and consequently higher WCETs than those listed in the literature and used by the North American weather services. Calculated dynamic facial skin temperatures were additionally applied in the estimation of probabilities for the occurrence of risks of frostbite. Predicted weather combinations for probabilities of "Practically no risk of frostbite for most people," for less than 5 % risk at wind speeds above 40 km h-1, were shown to occur at air temperatures above -10 °C compared to the currently published air temperature of -15 °C. At air temperatures below -35 °C, the presently calculated weather combination of 40 km h-1/-35 °C, at which the transition for risks to incur a frostbite in less than 2 min, is less conservative than that published: 60 km h-1/-40 °C. The present results introduce a fundamentally improved scientific basis for estimating facial skin temperatures, wind chill temperatures and risk probabilities for frostbites over those currently practiced.

Applicability and accuracy of pretest probability calculations implemented in the NICE clinical guideline for decision making about imaging in patients with chest pain of recent onset.

PubMed

Roehle, Robert; Wieske, Viktoria; Schuetz, Georg M; Gueret, Pascal; Andreini, Daniele; Meijboom, Willem Bob; Pontone, Gianluca; Garcia, Mario; Alkadhi, Hatem; Honoris, Lily; Hausleiter, Jörg; Bettencourt, Nuno; Zimmermann, Elke; Leschka, Sebastian; Gerber, Bernhard; Rochitte, Carlos; Schoepf, U Joseph; Shabestari, Abbas Arjmand; Nørgaard, Bjarne; Sato, Akira; Knuuti, Juhani; Meijs, Matthijs F L; Brodoefel, Harald; Jenkins, Shona M M; Øvrehus, Kristian Altern; Diederichsen, Axel Cosmus Pyndt; Hamdan, Ashraf; Halvorsen, Bjørn Arild; Mendoza Rodriguez, Vladimir; Wan, Yung Liang; Rixe, Johannes; Sheikh, Mehraj; Langer, Christoph; Ghostine, Said; Martuscelli, Eugenio; Niinuma, Hiroyuki; Scholte, Arthur; Nikolaou, Konstantin; Ulimoen, Geir; Zhang, Zhaoqi; Mickley, Hans; Nieman, Koen; Kaufmann, Philipp A; Buechel, Ronny Ralf; Herzog, Bernhard A; Clouse, Melvin; Halon, David A; Leipsic, Jonathan; Bush, David; Jakamy, Reda; Sun, Kai; Yang, Lin; Johnson, Thorsten; Laissy, Jean-Pierre; Marcus, Roy; Muraglia, Simone; Tardif, Jean-Claude; Chow, Benjamin; Paul, Narinder; Maintz, David; Hoe, John; de Roos, Albert; Haase, Robert; Laule, Michael; Schlattmann, Peter; Dewey, Marc

2018-03-19

To analyse the implementation, applicability and accuracy of the pretest probability calculation provided by NICE clinical guideline 95 for decision making about imaging in patients with chest pain of recent onset. The definitions for pretest probability calculation in the original Duke clinical score and the NICE guideline were compared. We also calculated the agreement and disagreement in pretest probability and the resulting imaging and management groups based on individual patient data from the Collaborative Meta-Analysis of Cardiac CT (CoMe-CCT). 4,673 individual patient data from the CoMe-CCT Consortium were analysed. Major differences in definitions in the Duke clinical score and NICE guideline were found for the predictors age and number of risk factors. Pretest probability calculation using guideline criteria was only possible for 30.8 % (1,439/4,673) of patients despite availability of all required data due to ambiguity in guideline definitions for risk factors and age groups. Agreement regarding patient management groups was found in only 70 % (366/523) of patients in whom pretest probability calculation was possible according to both models. Our results suggest that pretest probability calculation for clinical decision making about cardiac imaging as implemented in the NICE clinical guideline for patients has relevant limitations. • Duke clinical score is not implemented correctly in NICE guideline 95. • Pretest probability assessment in NICE guideline 95 is impossible for most patients. • Improved clinical decision making requires accurate pretest probability calculation. • These refinements are essential for appropriate use of cardiac CT.

Estimation of transition probabilities of credit ratings

NASA Astrophysics Data System (ADS)

Peng, Gan Chew; Hin, Pooi Ah

2015-12-01

The present research is based on the quarterly credit ratings of ten companies over 15 years taken from the database of the Taiwan Economic Journal. The components in the vector mi (mi1, mi2,⋯, mi10) may first be used to denote the credit ratings of the ten companies in the i-th quarter. The vector mi+1 in the next quarter is modelled to be dependent on the vector mi via a conditional distribution which is derived from a 20-dimensional power-normal mixture distribution. The transition probability Pkl (i ,j ) for getting mi+1,j = l given that mi, j = k is then computed from the conditional distribution. It is found that the variation of the transition probability Pkl (i ,j ) as i varies is able to give indication for the possible transition of the credit rating of the j-th company in the near future.

NIST Databases on Atomic Spectra

NASA Astrophysics Data System (ADS)

Reader, J.; Wiese, W. L.; Martin, W. C.; Musgrove, A.; Fuhr, J. R.

2002-11-01

The NIST atomic and molecular spectroscopic databases now available on the World Wide Web through the NIST Physics Laboratory homepage include Atomic Spectra Database, Ground Levels and Ionization Energies for the Neutral Atoms, Spectrum of Platinum Lamp for Ultraviolet Spectrograph Calibration, Bibliographic Database on Atomic Transition Probabilities, Bibliographic Database on Atomic Spectral Line Broadening, and Electron-Impact Ionization Cross Section Database. The Atomic Spectra Database (ASD) [1] offers evaluated data on energy levels, wavelengths, and transition probabilities for atoms and atomic ions. Data are given for some 950 spectra and 70,000 energy levels. About 91,000 spectral lines are included, with transition probabilities for about half of these. Additional data resulting from our ongoing critical compilations will be included in successive new versions of ASD. We plan to include, for example, our recently published data for some 16,000 transitions covering most ions of the iron-group elements, as well as Cu, Kr, and Mo [2]. Our compilations benefit greatly from experimental and theoretical atomic-data research being carried out in the NIST Atomic Physics Division. A new compilation covering spectra of the rare gases in all stages of ionization, for example, revealed a need for improved data in the infrared. We have thus measured these needed data with our high-resolution Fourier transform spectrometer [3]. An upcoming new database will give wavelengths and intensities for the stronger lines of all neutral and singly-ionized atoms, along with energy levels and transition probabilities for the persistent lines [4]. A critical compilation of the transition probabilities of Ba I and Ba II [5] has been completed and several other compilations of atomic transition probabilities are nearing completion. These include data for all spectra of Na, Mg, Al, and Si [6]. Newly compiled data for selected ions of Ne, Mg, Si and S, will form the basis for a new database intended to assist interpretation of soft x-ray astronomical spectra, such as from the Chandra X-ray Observatory. These data will be available soon on the World Wide Web [7].

Use of Mental Health Services in Transition Age Youth with Bipolar Disorder

PubMed Central

Hower, Heather; Case, Brady G.; Hoeppner, Bettina; Yen, Shirley; Goldstein, Tina; Goldstein, Benjamin; Birmaher, Boris; Weinstock, Lauren; Topor, David; Hunt, Jeffrey; Strober, Michael; Ryan, Neal; Axelson, David; Gill, Mary Kay; Keller, Martin B.

2013-01-01

Objectives There is concern that treatment of serious mental illness in the United States declines precipitously following legal emancipation at age 18 years and transition from specialty youth clinical settings. We examined age transition effects on treatment utilization in a sample of youth with bipolar disorder. Methods Youth with bipolar disorder (N = 413) 7–18 years of age were assessed approximately twice per year (mean interval 8.2 months) for at least 4 years. Annual use of any individual, group, and family therapy, psychopharmacology visits, and hospitalization at each year of age, and monthly use from ages 17 through 19 years, were examined. The effect of age transition to 18 years on monthly visit probability was tested in the subsample with observed transitions (n = 204). Putative sociodemographic moderators and the influence of clinical course were assessed. Results Visit probabilities for the most common modalities—psychopharmacology, individual psychotherapy, and home-based care— generally fell from childhood to young adulthood. For example, the annual probability of at least one psychopharmacology visit was 97% at age 8, 75% at age 17, 60% at age 19, and 46% by age 22. Treatment probabilities fell in transition-age youth from age 17 through 19, but a specific transition effect at age 18 was not found. Declines did not vary based on sociodemographic characteristics and were not explained by changing severity of the bipolar illness or functioning. Conclusions Mental health treatment declined with age in this sample of youth with bipolar disorder, but reductions were not concentrated during or after the transition to age 18 years. Declines were unrelated to symptom severity or impairment. PMID:24241500

Mars Science Laboratory Heatshield Aerothermodynamics: Design and Reconstruction

NASA Technical Reports Server (NTRS)

Edquist, Karl T.; Hollis, Brian R.; Johnston, Christopher O.; Bose, Deepak; White, Todd R.; Mahzari, Milad

2013-01-01

The Mars Science Laboratory heatshield was designed to withstand a fully turbulent heat pulse based on test results and computational analysis on a pre-flight design trajectory. Instrumentation on the flight heatshield measured in-depth temperatures in the thermal protection system. The data indicate that boundary layer transition occurred at 5 of 7 thermocouple locations prior to peak heating. Data oscillations at 3 pressure measurement locations may also indicate transition. This paper presents the heatshield temperature and pressure data, possible explanations for the timing of boundary layer transition, and a qualitative comparison of reconstructed and computational heating on the as-flown trajectory. Boundary layer Reynolds numbers that are typically used to predict transition are compared to observed transition at various heatshield locations. A uniform smooth-wall transition Reynolds number does not explain the timing of boundary layer transition observed during flight. A roughness-based Reynolds number supports the possibility of transition due to discrete or distributed roughness elements on the heatshield. However, the distributed roughness height would have needed to be larger than the pre-flight assumption. The instrumentation confirmed the predicted location of maximum turbulent heat flux near the leeside shoulder. The reconstructed heat flux at that location is bounded by smooth-wall turbulent calculations on the reconstructed trajectory, indicating that augmentation due to surface roughness probably did not occur. Turbulent heating on the downstream side of the heatshield nose exceeded smooth-wall computations, indicating that roughness may have augmented heating. The stagnation region also experienced heating that exceeded computational levels, but shock layer radiation does not fully explain the differences.

Evaluating the influential priority of the factors on insurance loss of public transit

PubMed Central

Su, Yongmin; Chen, Xinqiang

2018-01-01

Understanding correlation between influential factors and insurance losses is beneficial for insurers to accurately price and modify the bonus-malus system. Although there have been a certain number of achievements in insurance losses and claims modeling, limited efforts focus on exploring the relative role of accidents characteristics in insurance losses. The primary objective of this study is to evaluate the influential priority of transit accidents attributes, such as the time, location and type of accidents. Based on the dataset from Washington State Transit Insurance Pool (WSTIP) in USA, we implement several key algorithms to achieve the objectives. First, K-means algorithm contributes to cluster the insurance loss data into 6 intervals; second, Grey Relational Analysis (GCA) model is applied to calculate grey relational grades of the influential factors in each interval; in addition, we implement Naive Bayes model to compute the posterior probability of factors values falling in each interval. The results show that the time, location and type of accidents significantly influence the insurance loss in the first five intervals, but their grey relational grades show no significantly difference. In the last interval which represents the highest insurance loss, the grey relational grade of the time is significant higher than that of the location and type of accidents. For each value of the time and location, the insurance loss most likely falls in the first and second intervals which refers to the lower loss. However, for accidents between buses and non-motorized road users, the probability of insurance loss falling in the interval 6 tends to be highest. PMID:29298337

Impact of increasing treatment rates on cost-effectiveness of subcutaneous immunotherapy (SCIT) in respiratory allergy: a decision analytic modelling approach.

PubMed

Richter, Ann-Kathrin; Klimek, Ludger; Merk, Hans F; Mülleneisen, Norbert; Renz, Harald; Wehrmann, Wolfgang; Werfel, Thomas; Hamelmann, Eckard; Siebert, Uwe; Sroczynski, Gaby; Wasem, Jürgen; Biermann-Stallwitz, Janine

2018-03-24

Specific immunotherapy is the only causal treatment in respiratory allergy. Due to high treatment cost and possible severe side effects subcutaneous immunotherapy (SCIT) is not indicated in all patients. Nevertheless, reported treatment rates seem to be low. This study aims to analyze the effects of increasing treatment rates of SCIT in respiratory allergy in terms of costs and quality-adjusted life years (QALYs). A state-transition Markov model simulates the course of disease of patients with allergic rhinitis, allergic asthma and both diseases over 10 years including a symptom-free state and death. Treatment comprises symptomatic pharmacotherapy alone or combined with SCIT. The model compares two strategies of increased and status quo treatment rates. Transition probabilities are based on routine data. Costs are calculated from the societal perspective applying German unit costs to literature-derived resource consumption. QALYs are determined by translating the mean change in non-preference-based quality of life scores to a change in utility. Key parameters are subjected to deterministic sensitivity analyses. Increasing treatment rates is a cost-effective strategy with an incremental cost-effectiveness ratio (ICER) of 3484€/QALY compared to the status quo. The most influential parameters are SCIT discontinuation rates, treatment effects on the transition probabilities and cost of SCIT. Across all parameter variations, the best case leads to dominance of increased treatment rates while the worst case ICER is 34,315€/QALY. Excluding indirect cost leads to a twofold increase in the ICER. Measures to increase SCIT initiation rates should be implemented and also address improving adherence.

Evaluating the influential priority of the factors on insurance loss of public transit.

PubMed

Zhang, Wenhui; Su, Yongmin; Ke, Ruimin; Chen, Xinqiang

2018-01-01

Understanding correlation between influential factors and insurance losses is beneficial for insurers to accurately price and modify the bonus-malus system. Although there have been a certain number of achievements in insurance losses and claims modeling, limited efforts focus on exploring the relative role of accidents characteristics in insurance losses. The primary objective of this study is to evaluate the influential priority of transit accidents attributes, such as the time, location and type of accidents. Based on the dataset from Washington State Transit Insurance Pool (WSTIP) in USA, we implement several key algorithms to achieve the objectives. First, K-means algorithm contributes to cluster the insurance loss data into 6 intervals; second, Grey Relational Analysis (GCA) model is applied to calculate grey relational grades of the influential factors in each interval; in addition, we implement Naive Bayes model to compute the posterior probability of factors values falling in each interval. The results show that the time, location and type of accidents significantly influence the insurance loss in the first five intervals, but their grey relational grades show no significantly difference. In the last interval which represents the highest insurance loss, the grey relational grade of the time is significant higher than that of the location and type of accidents. For each value of the time and location, the insurance loss most likely falls in the first and second intervals which refers to the lower loss. However, for accidents between buses and non-motorized road users, the probability of insurance loss falling in the interval 6 tends to be highest.

Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics.

PubMed

Meirovitch, Hagai

2010-01-01

The commonly used simulation techniques, Metropolis Monte Carlo (MC) and molecular dynamics (MD) are of a dynamical type which enables one to sample system configurations i correctly with the Boltzmann probability, P(i)(B), while the value of P(i)(B) is not provided directly; therefore, it is difficult to obtain the absolute entropy, S approximately -ln P(i)(B), and the Helmholtz free energy, F. With a different simulation approach developed in polymer physics, a chain is grown step-by-step with transition probabilities (TPs), and thus their product is the value of the construction probability; therefore, the entropy is known. Because all exact simulation methods are equivalent, i.e. they lead to the same averages and fluctuations of physical properties, one can treat an MC or MD sample as if its members have rather been generated step-by-step. Thus, each configuration i of the sample can be reconstructed (from nothing) by calculating the TPs with which it could have been constructed. This idea applies also to bulk systems such as fluids or magnets. This approach has led earlier to the "local states" (LS) and the "hypothetical scanning" (HS) methods, which are approximate in nature. A recent development is the hypothetical scanning Monte Carlo (HSMC) (or molecular dynamics, HSMD) method which is based on stochastic TPs where all interactions are taken into account. In this respect, HSMC(D) can be viewed as exact and the only approximation involved is due to insufficient MC(MD) sampling for calculating the TPs. The validity of HSMC has been established by applying it first to liquid argon, TIP3P water, self-avoiding walks (SAW), and polyglycine models, where the results for F were found to agree with those obtained by other methods. Subsequently, HSMD was applied to mobile loops of the enzymes porcine pancreatic alpha-amylase and acetylcholinesterase in explicit water, where the difference in F between the bound and free states of the loop was calculated. Currently, HSMD is being extended for calculating the absolute and relative free energies of ligand-enzyme binding. We describe the whole approach and discuss future directions. 2009 John Wiley & Sons, Ltd.

The transition probability and the probability for the left-most particle's position of the q-totally asymmetric zero range process

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

Korhonen, Marko; Lee, Eunghyun

2014-01-15

We treat the N-particle zero range process whose jumping rates satisfy a certain condition. This condition is required to use the Bethe ansatz and the resulting model is the q-boson model by Sasamoto and Wadati [“Exact results for one-dimensional totally asymmetric diffusion models,” J. Phys. A 31, 6057–6071 (1998)] or the q-totally asymmetric zero range process (TAZRP) by Borodin and Corwin [“Macdonald processes,” Probab. Theory Relat. Fields (to be published)]. We find the explicit formula of the transition probability of the q-TAZRP via the Bethe ansatz. By using the transition probability we find the probability distribution of the left-most particle'smore » position at time t. To find the probability for the left-most particle's position we find a new identity corresponding to identity for the asymmetric simple exclusion process by Tracy and Widom [“Integral formulas for the asymmetric simple exclusion process,” Commun. Math. Phys. 279, 815–844 (2008)]. For the initial state that all particles occupy a single site, the probability distribution of the left-most particle's position at time t is represented by the contour integral of a determinant.« less

Scalar pair production in a magnetic field in de Sitter universe

NASA Astrophysics Data System (ADS)

Băloi, Mihaela-Andreea; Crucean, Cosmin; Popescu, Diana

2018-05-01

The production of scalar particles by the dipole magnetic field in de Sitter expanding universe is analyzed. The amplitude and probability of transition are computed using perturbative methods. A graphical study of the transition probability is performed obtaining that the rate of pair production is important in the early universe. Our results prove that in the process of pair production by the external magnetic field the momentum conservation law is broken. We also found that the probabilities are maximum when the particles are emitted perpendicular to the direction of magnetic dipole momentum. The total probability is computed and is analysed in terms of the angle between particles momenta.

Integrating statistical and process-based models to produce probabilistic landslide hazard at regional scale

NASA Astrophysics Data System (ADS)

Strauch, R. L.; Istanbulluoglu, E.

2017-12-01

We develop a landslide hazard modeling approach that integrates a data-driven statistical model and a probabilistic process-based shallow landslide model for mapping probability of landslide initiation, transport, and deposition at regional scales. The empirical model integrates the influence of seven site attribute (SA) classes: elevation, slope, curvature, aspect, land use-land cover, lithology, and topographic wetness index, on over 1,600 observed landslides using a frequency ratio (FR) approach. A susceptibility index is calculated by adding FRs for each SA on a grid-cell basis. Using landslide observations we relate susceptibility index to an empirically-derived probability of landslide impact. This probability is combined with results from a physically-based model to produce an integrated probabilistic map. Slope was key in landslide initiation while deposition was linked to lithology and elevation. Vegetation transition from forest to alpine vegetation and barren land cover with lower root cohesion leads to higher frequency of initiation. Aspect effects are likely linked to differences in root cohesion and moisture controlled by solar insulation and snow. We demonstrate the model in the North Cascades of Washington, USA and identify locations of high and low probability of landslide impacts that can be used by land managers in their design, planning, and maintenance.

A Computational Model of Word Segmentation from Continuous Speech Using Transitional Probabilities of Atomic Acoustic Events

ERIC Educational Resources Information Center

Rasanen, Okko

2011-01-01

Word segmentation from continuous speech is a difficult task that is faced by human infants when they start to learn their native language. Several studies indicate that infants might use several different cues to solve this problem, including intonation, linguistic stress, and transitional probabilities between subsequent speech sounds. In this…

Implicit Segmentation of a Stream of Syllables Based on Transitional Probabilities: An MEG Study

ERIC Educational Resources Information Center

Teinonen, Tuomas; Huotilainen, Minna

2012-01-01

Statistical segmentation of continuous speech, i.e., the ability to utilise transitional probabilities between syllables in order to detect word boundaries, is reflected in the brain's auditory event-related potentials (ERPs). The N1 and N400 ERP components are typically enhanced for word onsets compared to random syllables during active…

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Lifetime Measurements in Neutron-Rich Xe Isotopes — Evolution of Quadrupole Collectivity Beyond 132Sn

NASA Astrophysics Data System (ADS)

Ilieva, S.; Bönig, S.; Hartig, A.-L.; Henrich, C.; Ignatov, A.; Kröll, Th.; Thürauf, M.; Jolie, J.; Régis, J.-M.; Saed-Samii, N.; Blanc, A.; de France, G.; Jentschel, M.; Köster, U.; Mutti, P.; Simpson, G. S.; Soldner, T.; Urban, W.; Mǎrginean, N.; Ur, C. A.; Mach, H.; Fraile, L. M.; Paziy, V.; Regan, P. H.; Bruce, A. M.; Lalkovski, S.; Korten, W.

Picosecond lifetimes of excited states in neutron-rich Xe isotopes were measured at the Institut Laue-Langevin via γ-ray spectroscopy of fission fragments from neutron-induced fission of 235U and 241Pu targets. The data collected with the recently installed fast timing array FATIMA in combination with the EXOGAM Ge array were analysed using the new generalized centroid difference method. Our aim is to study the quadrupole and octupole collectivity, arising in the mass region beyond the doubly magic 132Sn, by means of transition probabilities. These can be calculated from the directly measured lifetimes.

Nuclear Deformation at Finite Temperature

NASA Astrophysics Data System (ADS)

Alhassid, Y.; Gilbreth, C. N.; Bertsch, G. F.

2014-12-01

Deformation, a key concept in our understanding of heavy nuclei, is based on a mean-field description that breaks the rotational invariance of the nuclear many-body Hamiltonian. We present a method to analyze nuclear deformations at finite temperature in a framework that preserves rotational invariance. The auxiliary-field Monte Carlo method is used to generate a statistical ensemble and calculate the probability distribution associated with the quadrupole operator. Applying the technique to nuclei in the rare-earth region, we identify model-independent signatures of deformation and find that deformation effects persist to temperatures higher than the spherical-to-deformed shape phase-transition temperature of mean-field theory.

Drying and wetting transitions of a Lennard-Jones fluid: Simulations and density functional theory

NASA Astrophysics Data System (ADS)

Evans, Robert; Stewart, Maria C.; Wilding, Nigel B.

2017-07-01

We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on whether the wall-fluid attraction has a long ranged (LR) power law decay or is instead truncated, rendering it short ranged (SR). Using grand canonical Monte Carlo simulation and classical density functional theory, we examine both cases in detail. We find that for the LR case wetting is first order, while drying is continuous (critical) and occurs exactly at zero attractive wall strength, i.e., in the limit of a hard wall. In the SR case, drying is also critical but the order of the wetting transition depends on the truncation range of the wall-fluid potential. We characterize the approach to critical drying and wetting in terms of the density and local compressibility profiles and via the finite-size scaling properties of the probability distribution of the overall density. For the LR case, where the drying point is known exactly, this analysis allows us to estimate the exponent ν∥, which controls the parallel correlation length, i.e., the extent of vapor bubbles at the wall. Surprisingly, the value we obtain is over twice that predicted by mean field and renormalization group calculations, despite the fact that our three dimensional system is at the upper critical dimension where mean field theory for critical exponents is expected to hold. Possible reasons for this discrepancy are discussed in the light of fresh insights into the nature of near critical finite-size effects.

Drying and wetting transitions of a Lennard-Jones fluid: Simulations and density functional theory.

PubMed

Evans, Robert; Stewart, Maria C; Wilding, Nigel B

2017-07-28

We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on whether the wall-fluid attraction has a long ranged (LR) power law decay or is instead truncated, rendering it short ranged (SR). Using grand canonical Monte Carlo simulation and classical density functional theory, we examine both cases in detail. We find that for the LR case wetting is first order, while drying is continuous (critical) and occurs exactly at zero attractive wall strength, i.e., in the limit of a hard wall. In the SR case, drying is also critical but the order of the wetting transition depends on the truncation range of the wall-fluid potential. We characterize the approach to critical drying and wetting in terms of the density and local compressibility profiles and via the finite-size scaling properties of the probability distribution of the overall density. For the LR case, where the drying point is known exactly, this analysis allows us to estimate the exponent ν ∥ , which controls the parallel correlation length, i.e., the extent of vapor bubbles at the wall. Surprisingly, the value we obtain is over twice that predicted by mean field and renormalization group calculations, despite the fact that our three dimensional system is at the upper critical dimension where mean field theory for critical exponents is expected to hold. Possible reasons for this discrepancy are discussed in the light of fresh insights into the nature of near critical finite-size effects.

Multiconfiguration Dirac-Hartree-Fock energy levels, oscillator strengths, transition probabilities, hyperfine constants and Landé g-factor of intermediate Rydberg series in neutral argon atom

NASA Astrophysics Data System (ADS)

Salah, Wa'el; Hassouneh, Ola

2017-04-01

We computed the energy levels, oscillator strengths f_{ij}, the radiative transition rates A_{ij}, the Landé g -factor, the magnetic dipole moment and the electric quadrupole hyperfine constants of the intermediate Rydberg series ns [k]J ( 4 ≤ n ≤ 6), nd [k]J (3 ≤ n ≤ 4), np [k]J (4 ≤ n ≤ 5) relative to the ground state 3p6 1S0 for neutral argon atom spectra. The values are obtained in the framework of the multiconfiguration Dirac-Hartree-Fock (MCDHF) approach. In this approach, Breit interaction, leading quantum electrodynamics (QED) effects and self-energy correction are taken into account. Moreover, these spectroscopic parameters have been calculated for many levels belonging to the configuration 3p54s, 3p55s, 3p56s, 3p53d, 3p54d, 3p54p, 3p55p as well as for transitions between levels 3p54s-3p54p, 3p54p-3p53d, 3p54p-3p55s, 3p55s-3p55p and 3p55p-3p56s. The large majority of the lines from the 4p-5s and 4p-3d, 5s-5p and 5p-6s transition arrays have been observed and the calculations are consistent with the J -file-sum rule. The obtained theoretical values are compared with previous experimental and theoretical data available in the literature. An overall satisfactory agreement is noticed allowing assessing the reliability of our data.

Marginalizing Instrument Systematics in HST WFC3 Transit Light Curves

NASA Technical Reports Server (NTRS)

Wakeford, H. R.; Sing, D.K.; Deming, D.; Mandell, A.

2016-01-01

Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) infrared observations at 1.1-1.7 microns probe primarily the H2O absorption band at 1.4 microns, and have provided low-resolution transmission spectra for a wide range of exoplanets. We present the application of marginalization based on Gibson to analyze exoplanet transit light curves obtained from HST WFC3 to better determine important transit parameters such as "ramp" probability (R (sub p)) divided by "ramp" total (R (sub asterisk)), which are important for accurate detections of H2O. We approximate the evidence, often referred to as the marginal likelihood, for a grid of systematic models using the Akaike Information Criterion. We then calculate the evidence-based weight assigned to each systematic model and use the information from all tested models to calculate the final marginalized transit parameters for both the band-integrated and spectroscopic light curves to construct the transmission spectrum. We find that a majority of the highest weight models contain a correction for a linear trend in time as well as corrections related to HST orbital phase. We additionally test the dependence on the shift in spectral wavelength position over the course of the observations and find that spectroscopic wavelength shifts delta (sub lambda) times lambda) best describe the associated systematic in the spectroscopic light curves for most targets while fast scan rate observations of bright targets require an additional level of processing to produce a robust transmission spectrum. The use of marginalization allows for transparent interpretation and understanding of the instrument and the impact of each systematic evaluated statistically for each data set, expanding the ability to make true and comprehensive comparisons between exoplanet atmospheres.

Radiative transition of hydrogen-like ions in quantum plasma

NASA Astrophysics Data System (ADS)

Hu, Hongwei; Chen, Zhanbin; Chen, Wencong

2016-12-01

At fusion plasma electron temperature and number density regimes of 1 × 103-1 × 107 K and 1 × 1028-1 × 1031/m3, respectively, the excited states and radiative transition of hydrogen-like ions in fusion plasmas are studied. The results show that quantum plasma model is more suitable to describe the fusion plasma than the Debye screening model. Relativistic correction to bound-state energies of the low-Z hydrogen-like ions is so small that it can be ignored. The transition probability decreases with plasma density, but the transition probabilities have the same order of magnitude in the same number density regime.

Langevin Dynamics, Large Deviations and Instantons for the Quasi-Geostrophic Model and Two-Dimensional Euler Equations

NASA Astrophysics Data System (ADS)

Bouchet, Freddy; Laurie, Jason; Zaboronski, Oleg

2014-09-01

We investigate a class of simple models for Langevin dynamics of turbulent flows, including the one-layer quasi-geostrophic equation and the two-dimensional Euler equations. Starting from a path integral representation of the transition probability, we compute the most probable fluctuation paths from one attractor to any state within its basin of attraction. We prove that such fluctuation paths are the time reversed trajectories of the relaxation paths for a corresponding dual dynamics, which are also within the framework of quasi-geostrophic Langevin dynamics. Cases with or without detailed balance are studied. We discuss a specific example for which the stationary measure displays either a second order (continuous) or a first order (discontinuous) phase transition and a tricritical point. In situations where a first order phase transition is observed, the dynamics are bistable. Then, the transition paths between two coexisting attractors are instantons (fluctuation paths from an attractor to a saddle), which are related to the relaxation paths of the corresponding dual dynamics. For this example, we show how one can analytically determine the instantons and compute the transition probabilities for rare transitions between two attractors.

Variation Among Internet Based Calculators in Predicting Spontaneous Resolution of Vesicoureteral Reflux

PubMed Central

Routh, Jonathan C.; Gong, Edward M.; Cannon, Glenn M.; Yu, Richard N.; Gargollo, Patricio C.; Nelson, Caleb P.

2010-01-01

Purpose An increasing number of parents and practitioners use the Internet for health related purposes, and an increasing number of models are available on the Internet for predicting spontaneous resolution rates for children with vesi-coureteral reflux. We sought to determine whether currently available Internet based calculators for vesicoureteral reflux resolution produce systematically different results. Materials and Methods Following a systematic Internet search we identified 3 Internet based calculators of spontaneous resolution rates for children with vesicoureteral reflux, of which 2 were academic affiliated and 1 was industry affiliated. We generated a random cohort of 100 hypothetical patients with a wide range of clinical characteristics and entered the data on each patient into each calculator. We then compared the results from the calculators in terms of mean predicted resolution probability and number of cases deemed likely to resolve at various cutoff probabilities. Results Mean predicted resolution probabilities were 41% and 36% (range 31% to 41%) for the 2 academic affiliated calculators and 33% for the industry affiliated calculator (p = 0.02). For some patients the calculators produced markedly different probabilities of spontaneous resolution, in some instances ranging from 24% to 89% for the same patient. At thresholds greater than 5%, 10% and 25% probability of spontaneous resolution the calculators differed significantly regarding whether cases would resolve (all p < 0.0001). Conclusions Predicted probabilities of spontaneous resolution of vesicoureteral reflux differ significantly among Internet based calculators. For certain patients, particularly those with a lower probability of spontaneous resolution, these differences can significantly influence clinical decision making. PMID:20172550

Recalculated probability of M ≥ 7 earthquakes beneath the Sea of Marmara, Turkey

USGS Publications Warehouse

Parsons, T.

2004-01-01

New earthquake probability calculations are made for the Sea of Marmara region and the city of Istanbul, providing a revised forecast and an evaluation of time-dependent interaction techniques. Calculations incorporate newly obtained bathymetric images of the North Anatolian fault beneath the Sea of Marmara [Le Pichon et al., 2001; Armijo et al., 2002]. Newly interpreted fault segmentation enables an improved regional A.D. 1500-2000 earthquake catalog and interevent model, which form the basis for time-dependent probability estimates. Calculations presented here also employ detailed models of coseismic and postseismic slip associated with the 17 August 1999 M = 7.4 Izmit earthquake to investigate effects of stress transfer on seismic hazard. Probability changes caused by the 1999 shock depend on Marmara Sea fault-stressing rates, which are calculated with a new finite element model. The combined 2004-2034 regional Poisson probability of M≥7 earthquakes is ~38%, the regional time-dependent probability is 44 ± 18%, and incorporation of stress transfer raises it to 53 ± 18%. The most important effect of adding time dependence and stress transfer to the calculations is an increase in the 30 year probability of a M ??? 7 earthquake affecting Istanbul. The 30 year Poisson probability at Istanbul is 21%, and the addition of time dependence and stress transfer raises it to 41 ± 14%. The ranges given on probability values are sensitivities of the calculations to input parameters determined by Monte Carlo analysis; 1000 calculations are made using parameters drawn at random from distributions. Sensitivities are large relative to mean probability values and enhancements caused by stress transfer, reflecting a poor understanding of large-earthquake aperiodicity.

Rare event simulation in radiation transport

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

Kollman, Craig

1993-10-01

This dissertation studies methods for estimating extremely small probabilities by Monte Carlo simulation. Problems in radiation transport typically involve estimating very rare events or the expected value of a random variable which is with overwhelming probability equal to zero. These problems often have high dimensional state spaces and irregular geometries so that analytic solutions are not possible. Monte Carlo simulation must be used to estimate the radiation dosage being transported to a particular location. If the area is well shielded the probability of any one particular particle getting through is very small. Because of the large number of particles involved,more » even a tiny fraction penetrating the shield may represent an unacceptable level of radiation. It therefore becomes critical to be able to accurately estimate this extremely small probability. Importance sampling is a well known technique for improving the efficiency of rare event calculations. Here, a new set of probabilities is used in the simulation runs. The results are multiple by the likelihood ratio between the true and simulated probabilities so as to keep the estimator unbiased. The variance of the resulting estimator is very sensitive to which new set of transition probabilities are chosen. It is shown that a zero variance estimator does exist, but that its computation requires exact knowledge of the solution. A simple random walk with an associated killing model for the scatter of neutrons is introduced. Large deviation results for optimal importance sampling in random walks are extended to the case where killing is present. An adaptive ``learning`` algorithm for implementing importance sampling is given for more general Markov chain models of neutron scatter. For finite state spaces this algorithm is shown to give with probability one, a sequence of estimates converging exponentially fast to the true solution.« less

Intersystem-crossing and phosphorescence rates in fac-Ir(III)(ppy)3: a theoretical study involving multi-reference configuration interaction wavefunctions.

PubMed

Kleinschmidt, Martin; van Wüllen, Christoph; Marian, Christel M

2015-03-07

We have employed combined density functional theory and multi-reference configuration interaction methods including spin-orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy)3). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin-orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin-orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy)3 is C3 symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy)3. For the S1↝T1 non-radiative transition, we compute a rate constant of kISC = 6.9 × 10(12) s(-1) which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T1 state, the T1 → S0 transition densities are localized on one of the phenylpyridyl moieties. In our best quantum chemical model, we obtain phosphorescence decay times of 264 μs, 13 μs, and 0.9 μs, respectively, for the T1,I, T1,II, and T1,III fine-structure levels in dichloromethane (DCM) solution. In addition to reproducing the correct orders of magnitude for the individual phosphorescence emission probabilities, our theoretical study gives insight into the underlying mechanisms. In terms of intensity borrowing from spin-allowed transitions, the low emission probability of the T1,I substate is caused by the mutual cancellation of contributions from several singlet states to the total transition dipole moment. Their contributions do not cancel but add up in case of the much faster T1,III → S0 emission while the T1,II → S0 emission is dominated by intensity borrowing from a single spin-allowed process, i.e., the S2 → S0 transition.

Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation.

PubMed

Zamstein, Noa; Tannor, David J

2012-12-14

We extend a recently developed quantum trajectory method [Y. Goldfarb, I. Degani, and D. J. Tannor, J. Chem. Phys. 125, 231103 (2006)] to treat non-adiabatic transitions. Each trajectory evolves on a single surface according to Newton's laws with complex positions and momenta. The transfer of amplitude between surfaces stems naturally from the equations of motion, without the need for surface hopping. In this paper we derive the equations of motion and show results in the diabatic representation, which is rarely used in trajectory methods for calculating non-adiabatic dynamics. We apply our method to the first two benchmark models introduced by Tully [J. Chem. Phys. 93, 1061 (1990)]. Besides giving the probability branching ratios between the surfaces, the method also allows the reconstruction of the time-dependent wavepacket. Our results are in quantitative agreement with converged quantum mechanical calculations.

Spectrum and energy levels of six-times ionized yttrium (Y VII)

NASA Astrophysics Data System (ADS)

Reader, Joseph

2018-03-01

The spectrum of six-times ionized yttrium, Y VII, was photographed with a sliding-spark discharge on 10.7 m normal- and grazing-incidence spectrographs. The region of observation was 157-824 Å. The observations extend the known configurations 4s24p3, 4s4p4, 4p5, 4s24p25s, 4s24p26s to the nearly complete 4s24p24d configuration. Our results for 4s24p24d significantly revise results of Rahimullah et al (1978 Phys. Scr. 18 96); Ateqad et al (1984 J. Phys. B: At. Mol. Phys. 17 4617). A total of 168 lines and 56 energy levels are now known for this ion. The observed configurations were interpreted with Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. Transition probabilities for all classified lines were calculated with the fitted parameters.

Exact calculation of loop formation probability identifies folding motifs in RNA secondary structures

PubMed Central

Sloma, Michael F.; Mathews, David H.

2016-01-01

RNA secondary structure prediction is widely used to analyze RNA sequences. In an RNA partition function calculation, free energy nearest neighbor parameters are used in a dynamic programming algorithm to estimate statistical properties of the secondary structure ensemble. Previously, partition functions have largely been used to estimate the probability that a given pair of nucleotides form a base pair, the conditional stacking probability, the accessibility to binding of a continuous stretch of nucleotides, or a representative sample of RNA structures. Here it is demonstrated that an RNA partition function can also be used to calculate the exact probability of formation of hairpin loops, internal loops, bulge loops, or multibranch loops at a given position. This calculation can also be used to estimate the probability of formation of specific helices. Benchmarking on a set of RNA sequences with known secondary structures indicated that loops that were calculated to be more probable were more likely to be present in the known structure than less probable loops. Furthermore, highly probable loops are more likely to be in the known structure than the set of loops predicted in the lowest free energy structures. PMID:27852924

The Spitzer search for the transits of HARPS low-mass planets. II. Null results for 19 planets

NASA Astrophysics Data System (ADS)

Gillon, M.; Demory, B.-O.; Lovis, C.; Deming, D.; Ehrenreich, D.; Lo Curto, G.; Mayor, M.; Pepe, F.; Queloz, D.; Seager, S.; Ségransan, D.; Udry, S.

2017-05-01

Short-period super-Earths and Neptunes are now known to be very frequent around solar-type stars. Improving our understanding of these mysterious planets requires the detection of a significant sample of objects suitable for detailed characterization. Searching for the transits of the low-mass planets detected by Doppler surveys is a straightforward way to achieve this goal. Indeed, Doppler surveys target the most nearby main-sequence stars, they regularly detect close-in low-mass planets with significant transit probability, and their radial velocity data constrain strongly the ephemeris of possible transits. In this context, we initiated in 2010 an ambitious Spitzer multi-Cycle transit search project that targeted 25 low-mass planets detected by radial velocity, focusing mainly on the shortest-period planets detected by the HARPS spectrograph. We report here null results for 19 targets of the project. For 16 planets out of 19, a transiting configuration is strongly disfavored or firmly rejected by our data for most planetary compositions. We derive a posterior probability of 83% that none of the probed 19 planets transits (for a prior probability of 22%), which still leaves a significant probability of 17% that at least one of them does transit. Globally, our Spitzer project revealed or confirmed transits for three of its 25 targeted planets, and discarded or disfavored the transiting nature of 20 of them. Our light curves demonstrate for Warm Spitzer excellent photometric precisions: for 14 targets out of 19, we were able to reach standard deviations that were better than 50 ppm per 30 min intervals. Combined with its Earth-trailing orbit, which makes it capable of pointing any star in the sky and to monitor it continuously for days, this work confirms Spitzer as an optimal instrument to detect sub-mmag-deep transits on the bright nearby stars targeted by Doppler surveys. The photometric and radial velocity time series used in this work are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/601/A117

The estimation of tree posterior probabilities using conditional clade probability distributions.

PubMed

Larget, Bret

2013-07-01

In this article I introduce the idea of conditional independence of separated subtrees as a principle by which to estimate the posterior probability of trees using conditional clade probability distributions rather than simple sample relative frequencies. I describe an algorithm for these calculations and software which implements these ideas. I show that these alternative calculations are very similar to simple sample relative frequencies for high probability trees but are substantially more accurate for relatively low probability trees. The method allows the posterior probability of unsampled trees to be calculated when these trees contain only clades that are in other sampled trees. Furthermore, the method can be used to estimate the total probability of the set of sampled trees which provides a measure of the thoroughness of a posterior sample.

REFINED SYSTEM PARAMETERS AND TTV STUDY OF TRANSITING EXOPLANETARY SYSTEM HAT-P-20

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

Sun, Leilei; Gu, Shenghong; Wang, Xiaobin

2017-01-01

We report new photometric observations of the transiting exoplanetary system HAT-P-20, obtained using CCD cameras at Yunnan Observatories and Ho Koon Nature Education cum Astronomical Centre, China, from 2010 to 2013, and Observatori Ca l’Ou, Sant Marti Sesgueioles, Spain, from 2013 to 2015. The observed data are corrected for systematic errors according to the coarse de-correlation and SYSREM algorithms, so as to enhance the signal of the transit events. In order to consistently model the star spots and transits of this exoplanetary system, we develop a highly efficient tool STMT based on the analytic models of Mandel and Agol andmore » Montalto et al. The physical parameters of HAT-P-20 are refined by homogeneously analyzing our new data, the radial velocity data, and the earlier photometric data in the literature with the Markov chain Monte Carlo technique. New radii and masses of both host star and planet are larger than those in the discovery paper due to the discrepancy of the radius among K-dwarfs between predicted values by standard stellar models and empirical calibration from observations. Through the analysis of all available mid-transit times calculated with the normal model and spotted model, we conclude that the periodic transit timing variations in these transit events revealed by employing the normal model are probably induced by spot crossing events. From the analysis of the distribution of occulted spots by HAT-P-20b, we constrain the misaligned architecture between the planetary orbit and the spin of the host star.« less

Time lag estimates for nitrate travel through the vadose zone in Southland, New Zealand

NASA Astrophysics Data System (ADS)

Wilson, Scott; Chanut, Pierre; Ledgard, George; Rissmann, Clint

2014-05-01

A regional-scale study was carried out to calculate the travel time of a nitrate particle from the ground surface into shallow groundwater. The aim of the study was to obtain preliminary answers to two questions. Firstly, if leaching limits are set, how long would it take to see an improvement in shallow groundwater quality? Secondly, have groundwater nitrate concentrations reached equilibrium from recent dairy expansion in the region, or could we expect future increases? We applied a methodology that provides a balance between the detail and generalisation that is required for a regional-scale study. Steady-state advective transport through the vadose zone was modelled with water retention curves. These curves enable an estimate of the average volumetric water content of the vadose zone. The percentage saturation can then be used to calculate the vadose zone transit time if effective porosity, depth to the water table and annual average soil drainage are known. A time for mixing in the uppermost part of the aquifer has also been calculated. Two different vadose zone water retention curve models were used for comparison, the Brooks-Corey (1964), and the Van Genuchten (1980) methods. The water retention curves were parameterised by sediment texture via the Rawls and Brakensiek (1985) pedotransfer functions. Hydraulic properties were derived by positioning sediment textural descriptions on the Folk textural triangle, estimates of effective porosity from literature, and hydraulic conductivity values from aquifer tests. Uncertainty of parameter estimates was included by assigning standard deviations and appropriate probability distributions. Vadose zone saturation was modelled at 6,450 sites across the region with a Monte Carlo simulation involving 10,000 realisations. This generated a probability distribution of saturation for each site. Average volumetric water content of the vadose zone ranged from 8.5 to 40.7 % for the Brooks-Corey model and 12.9 to 36.3% for the Van Genuchten model. The large number of 1-D calculations allows the results to be presented spatially. About 80% of the region is expected to have a transit time of less than five years, and 90% less than two years. Older transit times are associated with mid Pleistocene outwash gravels. These deposits have lower permeability, and are also located at higher elevations above the rivers. The results indicate that shallow groundwater beneath properties in most of Southland will respond rapidly to a reduction in leaching rates. Large future increases in nitrate concentrations are only expected in discrete areas beneath older more elevated outwash gravel deposits. Preliminary validation of the modelled values has been carried out by comparison with tritium ages at the top of the aquifer and the results are encouraging.

Time delay and long-range connection induced synchronization transitions in Newman-Watts small-world neuronal networks.

PubMed

Qian, Yu

2014-01-01

The synchronization transitions in Newman-Watts small-world neuronal networks (SWNNs) induced by time delay τ and long-range connection (LRC) probability P have been investigated by synchronization parameter and space-time plots. Four distinct parameter regions, that is, asynchronous region, transition region, synchronous region, and oscillatory region have been discovered at certain LRC probability P = 1.0 as time delay is increased. Interestingly, desynchronization is observed in oscillatory region. More importantly, we consider the spatiotemporal patterns obtained in delayed Newman-Watts SWNNs are the competition results between long-range drivings (LRDs) and neighboring interactions. In addition, for moderate time delay, the synchronization of neuronal network can be enhanced remarkably by increasing LRC probability. Furthermore, lag synchronization has been found between weak synchronization and complete synchronization as LRC probability P is a little less than 1.0. Finally, the two necessary conditions, moderate time delay and large numbers of LRCs, are exposed explicitly for synchronization in delayed Newman-Watts SWNNs.

Time Delay and Long-Range Connection Induced Synchronization Transitions in Newman-Watts Small-World Neuronal Networks

PubMed Central

Qian, Yu

2014-01-01

The synchronization transitions in Newman-Watts small-world neuronal networks (SWNNs) induced by time delay and long-range connection (LRC) probability have been investigated by synchronization parameter and space-time plots. Four distinct parameter regions, that is, asynchronous region, transition region, synchronous region, and oscillatory region have been discovered at certain LRC probability as time delay is increased. Interestingly, desynchronization is observed in oscillatory region. More importantly, we consider the spatiotemporal patterns obtained in delayed Newman-Watts SWNNs are the competition results between long-range drivings (LRDs) and neighboring interactions. In addition, for moderate time delay, the synchronization of neuronal network can be enhanced remarkably by increasing LRC probability. Furthermore, lag synchronization has been found between weak synchronization and complete synchronization as LRC probability is a little less than 1.0. Finally, the two necessary conditions, moderate time delay and large numbers of LRCs, are exposed explicitly for synchronization in delayed Newman-Watts SWNNs. PMID:24810595

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

Chen, Hang, E-mail: hangchen@mit.edu; Thill, Peter; Cao, Jianshu

In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes withmore » the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.« less

Kepler Reliability and Occurrence Rates

NASA Astrophysics Data System (ADS)

Bryson, Steve

2016-10-01

The Kepler mission has produced tables of exoplanet candidates (``KOI table''), as well as tables of transit detections (``TCE table''), hosted at the Exoplanet Archive (http://exoplanetarchive.ipac.caltech.edu). Transit detections in the TCE table that are plausibly due to a transiting object are selected for inclusion in the KOI table. KOI table entries that have not been identified as false positives (FPs) or false alarms (FAs) are classified as planet candidates (PCs, Mullally et al. 2015). A subset of PCs have been confirmed as planetary transits with greater than 99% probability, but most PCs have <99% probability of being true planets. The fraction of PCs that are true transiting planets is the PC reliability rate. The overall PC population is believed to have a reliability rate >90% (Morton & Johnson 2011).

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

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

Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong, E-mail: xsli@uw.edu

2015-12-21

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strengthmore » can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.« less

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation.

PubMed

Lestrange, Patrick J; Egidi, Franco; Li, Xiaosong

2015-12-21

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

NASA Astrophysics Data System (ADS)

Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong

2015-12-01

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

Reliability modelling and analysis of a multi-state element based on a dynamic Bayesian network

NASA Astrophysics Data System (ADS)

Li, Zhiqiang; Xu, Tingxue; Gu, Junyuan; Dong, Qi; Fu, Linyu

2018-04-01

This paper presents a quantitative reliability modelling and analysis method for multi-state elements based on a combination of the Markov process and a dynamic Bayesian network (DBN), taking perfect repair, imperfect repair and condition-based maintenance (CBM) into consideration. The Markov models of elements without repair and under CBM are established, and an absorbing set is introduced to determine the reliability of the repairable element. According to the state-transition relations between the states determined by the Markov process, a DBN model is built. In addition, its parameters for series and parallel systems, namely, conditional probability tables, can be calculated by referring to the conditional degradation probabilities. Finally, the power of a control unit in a failure model is used as an example. A dynamic fault tree (DFT) is translated into a Bayesian network model, and subsequently extended to a DBN. The results show the state probabilities of an element and the system without repair, with perfect and imperfect repair, and under CBM, with an absorbing set plotted by differential equations and verified. Through referring forward, the reliability value of the control unit is determined in different kinds of modes. Finally, weak nodes are noted in the control unit.

Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

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

Belyaev, Andrey K., E-mail: belyaev@herzen.spb.ru; Domcke, Wolfgang, E-mail: wolfgang.domcke@ch.tum.de; Lasser, Caroline, E-mail: classer@ma.tum.de

The Landau–Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs a recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Three different time scales are detected formore » the nuclear dynamics: Ultrafast Jahn–Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; and relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs. Beyond 100 fs, the adiabatic electronic populations are nearly constant due to a dynamic equilibrium between the three states. The ultrafast nonradiative decay of the excited-state populations provides a qualitative explanation of the experimental evidence that the ammonia cation is nonfluorescent.« less

2.7 μm emission properties of Er3+ doped tungsten-tellurite glass sensitized by Yb3+ ions.

PubMed

Guo, Yanyan; Ma, Yaoyao; Huang, Feifei; Peng, Yapei; Zhang, Liyan; Zhang, Junjie

2013-07-01

With a 980 nm laser diode (LD) pumped, the sensitized effect of Yb(3+) ions on 2.7 μm emission properties and energy transfer mechanism in Yb(3+)/Er(3+) co-doped tungsten-tellurite glass were investigated in present paper. Based on absorption spectra, Judd-Ofelt parameters and radiative transition probabilities were calculated and analyzed. The emission spectra were tested and the optimized concentration ratio of Yb(3+) to Er(3+) ions was found to be 3:0.5 with a largest calculated emission cross-section (6.05×10(-21) cm(2)) corresponding to Er(3+):(4)I11/2→(4)I13/2 transition. When the concentration ratio of Yb(3+) to Er(3+) ions was 4:0.5, 1.5 μm and 2.7 μm emission decreased while up-conversion increased. The decreased 1.5 μm and 2.7 μm emission were induced by the saturation of Er(3+):(4)I13/2 level. In brief, the advantageous spectroscopic characteristics indicated that Yb(3+)/Er(3+) co-doped tungsten-tellurite glass may be a promising candidate for application of 2.7 μm emission. Copyright © 2013 Elsevier B.V. All rights reserved.

Parameterizing the Spatial Markov Model from Breakthrough Curve Data Alone

NASA Astrophysics Data System (ADS)

Sherman, T.; Bolster, D.; Fakhari, A.; Miller, S.; Singha, K.

2017-12-01

The spatial Markov model (SMM) uses a correlated random walk and has been shown to effectively capture anomalous transport in porous media systems; in the SMM, particles' future trajectories are correlated to their current velocity. It is common practice to use a priori Lagrangian velocity statistics obtained from high resolution simulations to determine a distribution of transition probabilities (correlation) between velocity classes that govern predicted transport behavior; however, this approach is computationally cumbersome. Here, we introduce a methodology to quantify velocity correlation from Breakthrough (BTC) curve data alone; discretizing two measured BTCs into a set of arrival times and reverse engineering the rules of the SMM allows for prediction of velocity correlation, thereby enabling parameterization of the SMM in studies where Lagrangian velocity statistics are not available. The introduced methodology is applied to estimate velocity correlation from BTCs measured in high resolution simulations, thus allowing for a comparison of estimated parameters with known simulated values. Results show 1) estimated transition probabilities agree with simulated values and 2) using the SMM with estimated parameterization accurately predicts BTCs downstream. Additionally, we include uncertainty measurements by calculating lower and upper estimates of velocity correlation, which allow for prediction of a range of BTCs. The simulated BTCs fall in the range of predicted BTCs. This research proposes a novel method to parameterize the SMM from BTC data alone, thereby reducing the SMM's computational costs and widening its applicability.

Positron Annihilation Induced Auger Electron Spectroscopic Studies Of Reconstructed Semiconductor Surfaces

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Reed, J. A.; Starnes, S. G.; Weiss, A. H.

2011-06-01

The positron annihilation induced Auger spectrum from GaAs(100) displays six As and three Ga Auger peaks below 110 eV corresponding to M4,5VV, M2M4V, M2,3M4,5M4,5 Auger transitions for As and M2,3M4,5M4,5 Auger transitions for Ga. The integrated Auger peak intensities have been used to obtain experimental annihilation probabilities of surface trapped positrons with As 3p and 3d and Ga 3p core level electrons. PAES data is analyzed by performing calculations of positron surface and bulk states and annihilation characteristics of surface trapped positrons with relevant Ga and As core level electrons for both Ga- and As-rich (100) surfaces of GaAs, ideally terminated, non-reconstructed and with (2×8), (2×4), and (4×4) reconstructions. The orientation-dependent variations of the atomic and electron densities associated with reconstructions are found to affect localization of the positron wave function at the surface. Computed positron binding energy, work function, and annihilation characteristics demonstrate their sensitivity both to chemical composition and atomic structure of the topmost layers of the surface. Theoretical annihilation probabilities of surface trapped positrons with As 3d, 3p, and Ga 3p core level electrons are compared with the ones estimated from the measured Auger peak intensities.

Entanglement transitions induced by large deviations

NASA Astrophysics Data System (ADS)

Bhosale, Udaysinh T.

2017-12-01

The probability of large deviations of the smallest Schmidt eigenvalue for random pure states of bipartite systems, denoted as A and B , is computed analytically using a Coulomb gas method. It is shown that this probability, for large N , goes as exp[-β N2Φ (ζ ) ] , where the parameter β is the Dyson index of the ensemble, ζ is the large deviation parameter, while the rate function Φ (ζ ) is calculated exactly. Corresponding equilibrium Coulomb charge density is derived for its large deviations. Effects of the large deviations of the extreme (largest and smallest) Schmidt eigenvalues on the bipartite entanglement are studied using the von Neumann entropy. Effect of these deviations is also studied on the entanglement between subsystems 1 and 2, obtained by further partitioning the subsystem A , using the properties of the density matrix's partial transpose ρ12Γ. The density of states of ρ12Γ is found to be close to the Wigner's semicircle law with these large deviations. The entanglement properties are captured very well by a simple random matrix model for the partial transpose. The model predicts the entanglement transition across a critical large deviation parameter ζ . Log negativity is used to quantify the entanglement between subsystems 1 and 2. Analytical formulas for it are derived using the simple model. Numerical simulations are in excellent agreement with the analytical results.

Entanglement transitions induced by large deviations.

PubMed

Bhosale, Udaysinh T

2017-12-01

The probability of large deviations of the smallest Schmidt eigenvalue for random pure states of bipartite systems, denoted as A and B, is computed analytically using a Coulomb gas method. It is shown that this probability, for large N, goes as exp[-βN^{2}Φ(ζ)], where the parameter β is the Dyson index of the ensemble, ζ is the large deviation parameter, while the rate function Φ(ζ) is calculated exactly. Corresponding equilibrium Coulomb charge density is derived for its large deviations. Effects of the large deviations of the extreme (largest and smallest) Schmidt eigenvalues on the bipartite entanglement are studied using the von Neumann entropy. Effect of these deviations is also studied on the entanglement between subsystems 1 and 2, obtained by further partitioning the subsystem A, using the properties of the density matrix's partial transpose ρ_{12}^{Γ}. The density of states of ρ_{12}^{Γ} is found to be close to the Wigner's semicircle law with these large deviations. The entanglement properties are captured very well by a simple random matrix model for the partial transpose. The model predicts the entanglement transition across a critical large deviation parameter ζ. Log negativity is used to quantify the entanglement between subsystems 1 and 2. Analytical formulas for it are derived using the simple model. Numerical simulations are in excellent agreement with the analytical results.

The Estimation of Tree Posterior Probabilities Using Conditional Clade Probability Distributions

PubMed Central

Larget, Bret

2013-01-01

In this article I introduce the idea of conditional independence of separated subtrees as a principle by which to estimate the posterior probability of trees using conditional clade probability distributions rather than simple sample relative frequencies. I describe an algorithm for these calculations and software which implements these ideas. I show that these alternative calculations are very similar to simple sample relative frequencies for high probability trees but are substantially more accurate for relatively low probability trees. The method allows the posterior probability of unsampled trees to be calculated when these trees contain only clades that are in other sampled trees. Furthermore, the method can be used to estimate the total probability of the set of sampled trees which provides a measure of the thoroughness of a posterior sample. [Bayesian phylogenetics; conditional clade distributions; improved accuracy; posterior probabilities of trees.] PMID:23479066

Oscillator strengths and branching fractions of 4d75p-4d75s Rh II transitions

NASA Astrophysics Data System (ADS)

Bouazza, Safa

2017-01-01

This work reports semi-empirical determination of oscillator strengths, transition probabilities and branching fractions for Rh II 4d75p-4d75s transitions in a wide wavelength range. The angular coefficients of the transition matrix, beforehand obtained in pure SL coupling with help of Racah algebra are transformed into intermediate coupling using eigenvector amplitudes of these two configuration levels determined for this purpose; The transition integral was treated as free parameter in the least squares fit to experimental oscillator strength (gf) values found in literature. The extracted value: <4d75s|r1|4d75p> =2.7426 ± 0.0007 is slightly smaller than that computed by means of ab-initio method. Subsequently to oscillator strength evaluations, transition probabilities and branching fractions were deduced and compared to those obtained experimentally or through another approach like pseudo-relativistic Hartree-Fock model including core-polarization effects.

Semiclassical S-matrix for black holes

DOE PAGES

Bezrukov, Fedor; Levkov, Dmitry; Sibiryakov, Sergey

2015-12-01

In this study, we propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(–B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states.more » The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordström black hole. As a result, our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.« less

Magnetic field-induced modification of selection rules for Rb D 2 line monitored by selective reflection from a vapor nanocell

NASA Astrophysics Data System (ADS)

Klinger, Emmanuel; Sargsyan, Armen; Tonoyan, Ara; Hakhumyan, Grant; Papoyan, Aram; Leroy, Claude; Sarkisyan, David

2017-08-01

Magnetic field-induced giant modification of the probabilities of five transitions of 5S1 / 2,Fg = 2 → 5P3 / 2,Fe = 4 of 85Rb and three transitions of 5S1 / 2,Fg = 1 → 5P3 / 2,Fe = 3 of 87Rb forbidden by selection rules for zero magnetic field has been observed experimentally and described theoretically for the first time. For the case of excitation with circularly-polarized (σ+) laser radiation, the probability of Fg = 2,mF = - 2 → Fe = 4,mF = - 1 transition becomes the largest among the seventeen transitions of 85Rb Fg = 2 → Fe = 1,2,3,4 group, and the probability of Fg = 1, mF = - 1 → Fe = 3,mF = 0 transition becomes the largest among the nine transitions of 87Rb Fg = 1 → Fe = 0,1,2,3 group, in a wide range of magnetic field 200-1000 G. Complete frequency separation of individual Zeeman components was obtained by implementation of derivative selective reflection technique with a 300 nm-thick nanocell filled with Rb, allowing formation of narrow optical resonances. Possible applications are addressed. The theoretical model is well consistent with the experimental results.

Long-term natural history of liver disease in patients with chronic hepatitis B virus infection: an analysis using the Markov chain model.

PubMed

Tada, Toshifumi; Kumada, Takashi; Toyoda, Hidenori; Ohisa, Masayuki; Akita, Tomoyuki; Tanaka, Junko

2018-04-19

The relationship between the hepatitis B e antigen (HBeAg) seroconversion and the long-term natural history of liver disease has not been sufficiently investigated. A total of 408 [4352 person-year (PY) units] patients with chronic hepatitis B virus (HBV) without antiviral therapy were enrolled. The study patients were divided into three groups, as follows: Group A (2666 PY units), seroconverted of HBeAg at age < 40; Group B (413 PY units), seroconverted of HBeAg at age ≥ 40; Group C (1273 PY units), persistently HBeAg positive. Yearly transition probabilities from each liver state [chronic HBV infection, chronic hepatitis B, cirrhosis, hepatocellular carcinoma (HCC), and hepatitis B surface antigen (HBsAg) negativity] were calculated using the Markov chain model. In the analysis of 1 year liver disease state transition probabilities, the liver states remained almost the same in Group A. In Groups B and C, each liver state tended to progress to a worse state. Assuming a chronic hepatitis B state at age 40 as the starting condition for simulation over the next 40 years, the chronic hepatitis B state accounted for approximately 60% of males aged ≥ 50 and approximately 40% of females aged ≥ 60 in Group A, and the HBsAg-negative state accounted for approximately 30-40% of males and females aged ≥ 60. In Groups B and C, the probabilities of patients with cirrhosis and HCC gradually increased with age. Not only patients with persistent HBeAg positive, but also patients with delayed HBeAg seroconversion showed poor prognosis of liver-related natural history.

Impact of Bounded Noise and Rewiring on the Formation and Instability of Spiral Waves in a Small-World Network of Hodgkin-Huxley Neurons.

PubMed

Yao, Yuangen; Deng, Haiyou; Ma, Chengzhang; Yi, Ming; Ma, Jun

2017-01-01

Spiral waves are observed in the chemical, physical and biological systems, and the emergence of spiral waves in cardiac tissue is linked to some diseases such as heart ventricular fibrillation and epilepsy; thus it has importance in theoretical studies and potential medical applications. Noise is inevitable in neuronal systems and can change the electrical activities of neuron in different ways. Many previous theoretical studies about the impacts of noise on spiral waves focus an unbounded Gaussian noise and even colored noise. In this paper, the impacts of bounded noise and rewiring of network on the formation and instability of spiral waves are discussed in small-world (SW) network of Hodgkin-Huxley (HH) neurons through numerical simulations, and possible statistical analysis will be carried out. Firstly, we present SW network of HH neurons subjected to bounded noise. Then, it is numerically demonstrated that bounded noise with proper intensity σ, amplitude A, or frequency f can facilitate the formation of spiral waves when rewiring probability p is below certain thresholds. In other words, bounded noise-induced resonant behavior can occur in the SW network of neurons. In addition, rewiring probability p always impairs spiral waves, while spiral waves are confirmed to be robust for small p, thus shortcut-induced phase transition of spiral wave with the increase of p is induced. Furthermore, statistical factors of synchronization are calculated to discern the phase transition of spatial pattern, and it is confirmed that larger factor of synchronization is approached with increasing of rewiring probability p, and the stability of spiral wave is destroyed.

Quantum scattering studies of spin-orbit effects in the Cl({sup 2}P) + HCl {yields} ClH + Cl({sup 2}P) reaction

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

Schatz, G.C.; McCabe, P.; Connor, J.N.L.

1998-07-01

The authors present quantum scattering calculations for the Cl + HCl {yields} ClH + Cl reaction in which they include the three electronic states that correlate asymptotically to the ground state of Cl({sup 2}P) + HCl(X{sup 1}{Sigma}{sup +}). The potential surfaces and couplings are taken from the recent work of C.S. Maierle, G.C. Schatz, M.S. Gordon, P. McCabe and J.N.L. Connor, J. Chem. Soc. Farad. Trans. (1997). They are based on extensive ab initio calculations for geometries in the vicinity of the lowest energy saddle point, and on an electrostatic expansion (plus empirical dispersion and repulsion) for long range geometriesmore » including the van der Waals wells. Spin-orbit coupling has been included using a spin-orbit coupling parameter {lambda} that is assumed to be independent of nuclear geometry, and Coriolis interactions are incorporated accurately. The scattering calculations use a hyperspherical coordinate coupled channel method in full dimensionality. AJ-shifting approximation is employed to convert cumulative reaction probabilities for total angular momentum quantum number J = 1/2 into state selected and thermal rate coefficients. Two issues have been studied: (a) the influence of the magnitude of {lambda} on the fine-structure resolved cumulative probabilities and rate coefficients (the authors consider {lambda}`s that vary from 0 to {+-}100% of the true Cl value), and (b) the transition state resonance spectrum, and its variation with {lambda} and with other parameters in the calculations. Cl + HCl is a simple hydrogen transfer reaction which serves as a canonical model both for heavy-light-heavy atom reactions, and for the reactions of halogen atoms with closed shell molecules.« less

Unravelling the temporal association between lameness and body condition score in dairy cattle using a multistate modelling approach.

PubMed

Lim, P Y; Huxley, J N; Willshire, J A; Green, M J; Othman, A R; Kaler, J

2015-03-01

Recent studies have reported associations between lameness and body condition score (BCS) in dairy cattle, however the impact of change in the dynamics of BCS on both lameness occurrence and recovery is currently unknown. The aim of this longitudinal study was to investigate the effect of change in BCS on the transitions from the non-lame to lame, and lame to non-lame states. A total of 731 cows with 6889 observations from 4 UK herds were included in the study. Mobility score (MS) and body condition score (BCS) were recorded every 13-15 days from July 2010 until December 2011. A multilevel multistate discrete time event history model was built to investigate the transition of lameness over time. There were 1042 non-lame episodes and 593 lame episodes of which 50% (519/1042) of the non-lame episodes transitioned to the lame state and 81% (483/593) of the lame episodes ended with a transition to the non-lame state. Cows with a lower BCS at calving (BCS Group 1 (1.00-1.75) and Group 2 (2.00-2.25)) had a higher probability of transition from non-lame to lame and a lower probability of transition from lame to non-lame compared to cows with BCS 2.50-2.75, i.e. they were more likely to become lame and if lame, they were less likely to recover. Similarly, cows who suffered a greater decrease in BCS (compared to their BCS at calving) had a higher probability of becoming lame and a lower probability of recovering in the next 15 days. An increase in BCS from calving was associated with the converse effect, i.e. a lower probability of cows moving from the non-lame to the lame state and higher probability of transition from lame to non-lame. Days in lactation, quarters of calving and parity were associated with both lame and non-lame transitions and there was evidence of heterogeneity among cows in lameness occurrence and recovery. This study suggests loss of BCS and increase of BCS could influence the risk of becoming lame and the chance of recovery from lameness. Regular monitoring and maintenance of BCS on farms could be a key tool for reducing lameness. Further work is urgently needed in this area to allow a better understanding of the underlying mechanisms behind these relationships. Copyright © 2015 Elsevier B.V. All rights reserved.

Exact calculation of loop formation probability identifies folding motifs in RNA secondary structures.

PubMed

Sloma, Michael F; Mathews, David H

2016-12-01

RNA secondary structure prediction is widely used to analyze RNA sequences. In an RNA partition function calculation, free energy nearest neighbor parameters are used in a dynamic programming algorithm to estimate statistical properties of the secondary structure ensemble. Previously, partition functions have largely been used to estimate the probability that a given pair of nucleotides form a base pair, the conditional stacking probability, the accessibility to binding of a continuous stretch of nucleotides, or a representative sample of RNA structures. Here it is demonstrated that an RNA partition function can also be used to calculate the exact probability of formation of hairpin loops, internal loops, bulge loops, or multibranch loops at a given position. This calculation can also be used to estimate the probability of formation of specific helices. Benchmarking on a set of RNA sequences with known secondary structures indicated that loops that were calculated to be more probable were more likely to be present in the known structure than less probable loops. Furthermore, highly probable loops are more likely to be in the known structure than the set of loops predicted in the lowest free energy structures. © 2016 Sloma and Mathews; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

Using thermodynamic data to reproduce main seismic features of transition zone

NASA Astrophysics Data System (ADS)

Fomin, Ilya; Saukko, Anna; Edwards, Paul; Schiffer, Christian

2016-04-01

Most of the seismic tomography studies nowadays are based on comprehensive models with optimization of lots of parameters. These models are able to resolve very subtle features of the Earth's mantle, but the influence of each specific parameter is not seen directly. In our research we try to minimize the number of processed parameters to produce simple synthetic cases. The main goals of our model are to see how water content influences the depth of the transition zone, and if melting at the transition zone is plausible. We also attempt to see how water content and the presence of melts influence the signal strength of the transition zone in receiver functions. Our MATLAB-code calculates phase assemblage according to specific temperature and pressure within 2D numerical domain (e.g. 300x700 km). Phase properties are calculated with database of Stixrude and Lithgow-Bertelloni [2011], with corrections for water impact on elastic constants according to Liu et al., [2012]. We use the mantle phase composition 55% garnet and 45% olivine-polymorph, soliduses by Ohtani et al. [2004] and melt properties by Sakamaki et al. [2006]. These data are used to calculate seismic velocities and, furthermore, receiver functions with standard routines (e.g.[Schiffer et al., 2012]). Model predicts Vs within 5 to 5.5 km/s and Vp around 9.5-10 km/s within transition zone (Vp/Vs = 1.84-1.87), which is close to standard values. The presence of water enlarges the wadsleyite region, but also dampens the peak of receiver functions down to background level. Increase in water content causes melting at much shallower depths. Using a normal thermal gradient, we can get up to 10% of melt at depths around 390 km with 80% of water saturation, shown by a negative anomaly on receiver functions. This result is similar to data obtained for Afar Plateau [Thompson et al., 2015]. With cratonic thermal gradient, the olivine-wadsleyite transition and corresponding melt layer appear at depths around 350 km. This is comparable to data by Vinnik and Farra [2007], who proposed the presence of melt-rich piles at 350 km under continental crust at several locations worldwide. Our model also shows that in case of Moho depths close to 35 km, the Moho itself produces a multiple of receiver functions close to the 410 discontinuity. This multiple peak can affect the interpretation of the position of the real olivine-wadsleyite transition depth. It may also explain why the 410 km peak is still observed in cases with low-depth melting [Thompson et al., 2015; Vinnik & Farra, 2007], which probably should be related to the beginning of transition zone.

A New Approach to Monte Carlo Simulations in Statistical Physics

NASA Astrophysics Data System (ADS)

Landau, David P.

2002-08-01

Monte Carlo simulations [1] have become a powerful tool for the study of diverse problems in statistical/condensed matter physics. Standard methods sample the probability distribution for the states of the system, most often in the canonical ensemble, and over the past several decades enormous improvements have been made in performance. Nonetheless, difficulties arise near phase transitions-due to critical slowing down near 2nd order transitions and to metastability near 1st order transitions, and these complications limit the applicability of the method. We shall describe a new Monte Carlo approach [2] that uses a random walk in energy space to determine the density of states directly. Once the density of states is known, all thermodynamic properties can be calculated. This approach can be extended to multi-dimensional parameter spaces and should be effective for systems with complex energy landscapes, e.g., spin glasses, protein folding models, etc. Generalizations should produce a broadly applicable optimization tool. 1. A Guide to Monte Carlo Simulations in Statistical Physics, D. P. Landau and K. Binder (Cambridge U. Press, Cambridge, 2000). 2. Fugao Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001); Phys. Rev. E64, 056101-1 (2001).

Near ultraviolet spectroscopic studies of 2,4-diamino-6-piperidinopyrimidine-3-oxide (minoxidil) and 2,4-diamino-6-piperidinopyrimidine (desoxyminoxidil)

NASA Astrophysics Data System (ADS)

Thamann, Thomas J.

The near u.v. spectra of 2,4-diamino-6-piperidinopyrimidine (desoxyminoxidil) and 2,4-diamino-6-piperidinopyrimidine-3-oxide (minoxidil) can be viewed as perturbed pyrimidine spectra. The u.v. properties of pyrimidine and a series of aminopyrimidines, specifically 2,4,6-triaminopyrimidine, are examined to obtain u.v. spectral assignments for desoxyminoxidil and minoxidil. Minoxidil and its desoxy counterpart have C s symmetry, and all π → π* absorptions are allowed 1A' ← 1A' transitions. The two lowest energy π →- π* absorptions observed in minoxidil (262 nm, 292 nm) are tentatively assigned as very mild oxygen → pyrimidine ring charge-transfer transitions. Intensity decreases in protic solvents, and the results of simple Hückel molecular orbital calculations indicate that the 292 nm transition has more charge-transfer character than the 262 nm absorption. The protonated species of desoxyminoxidil and minoxidil have very similar u.v. spectra. This is due to the lack of oxygen-related charge transfer in protonated minoxidil, and the high probability that the positive charge resides in similar environments in the minoxidil and desoxyminoxidil molecular frameworks.

Optical evaluation on Nd3+-doped phosphate glasses for O-band amplification.

PubMed

Lei, Weihong; Chen, Baojie; Zhang, Xiangling; Pun, Edwin Yun Bun; Lin, Hai

2011-02-20

We have fabricated and characterized optically Nd3+-doped phosphate [Li2O-CaO-BaO-Al2O3-La2O3-P2O5 (LCBALP)] glasses for drawing single-mode glass fiber. The 4F3/2→4I13/2 transition emission from the Nd3+ is at the 1.327 μm wavelength with a full width at half-maximum of 43 nm, and the spontaneous transition probability and quantum efficiency are calculated to be 1836 s-1 and 52%, respectively. The maximum stimulated emission cross sections for 4F3/2→4I11/2 and 4F3/2→4I13/2 transitions are derived to be 1.82×10(-20) cm2 and 6.97×10(-21) cm2, respectively, and the theoretical gain coefficient at the 1.327 μm wavelength is evaluated to be 0.182 dB/cm when the fractional factor of the excited neodymium ions equals 0.6, which indicates that Nd3+-doped LCBALP phosphate glasses are potential candidates in developing O-band optical fiber amplifiers.

Millimetre spectral indices of transition disks and their relation to the cavity radius

NASA Astrophysics Data System (ADS)

Pinilla, P.; Benisty, M.; Birnstiel, T.; Ricci, L.; Isella, A.; Natta, A.; Dullemond, C. P.; Quiroga-Nuñez, L. H.; Henning, T.; Testi, L.

2014-04-01

Context. Transition disks are protoplanetary disks with inner depleted dust cavities that are excellent candidates for investigating the dust evolution when there is a pressure bump. A pressure bump at the outer edge of the cavity allows dust grains from the outer regions to stop their rapid inward migration towards the star and to efficiently grow to millimetre sizes. Dynamical interactions with planet(s) have been one of the most exciting theories to explain the clearing of the inner disk. Aims: We look for evidence of millimetre dust particles in transition disks by measuring their spectral index αmm with new and available photometric data. We investigate the influence of the size of the dust depleted cavity on the disk integrated millimetre spectral index. Methods: We present the 3-mm (100 GHz) photometric observations carried out with the Plateau de Bure Interferometer of four transition disks: LkHα 330, UX Tau A, LRLL 31, and LRLL 67. We used the available values of their fluxes at 345 GHz to calculate their spectral index, as well as the spectral index for a sample of twenty transition disks. We compared the observations with two kinds of models. In the first set of models, we considered coagulation and fragmentation of dust in a disk in which a cavity is formed by a massive planet located at different positions. The second set of models assumes disks with truncated inner parts at different radii and with power-law dust-size distributions, where the maximum size of grains is calculated considering turbulence as the source of destructive collisions. Results: We show that the integrated spectral index is higher for transition disks (TD) than for regular protoplanetary disks (PD) with mean values of bar{αmmTD} = 2.70 ± 0.13 and bar{αmmPD} = 2.20 ± 0.07 respectively. For transition disks, the probability that the measured spectral index is positively correlated with the cavity radius is 95%. High angular resolution imaging of transition disks is needed to distinguish between the dust trapping scenario and the truncated disk case. The final PdBI data used in the paper are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/564/A51

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

Ioannisian, Ara N.; Kazarian, Narine; Millar, Alexander J.

Axion-photon conversion at dielectric interfaces, immersed in a near-homogeneous magnetic field, is the basis for the dielectric haloscope method to search for axion dark matter. In analogy to transition radiation, this process is possible because the photon wave function is modified by the dielectric layers ('Garibian wave function') and is no longer an eigenstate of momentum. A conventional first-order perturbative calculation of the transition probability between a quantized axion state and these distorted photon states provides the microwave production rate. It agrees with previous results based on solving the classical Maxwell equations for the combined system of axions and electromagneticmore » fields. We argue that in general the average photon production rate is given by our result, independently of the detailed quantum state of the axion field. Moreover, our result provides a new perspective on axion-photon conversion in dielectric haloscopes because the rate is based on an overlap integral between unperturbed axion and photon wave functions, in analogy to the usual treatment of microwave-cavity haloscopes.« less

Chemiluminescence of nitric oxide

NASA Technical Reports Server (NTRS)

Sharp, W. E.; Rusch, D. W.

1981-01-01

Measurements of the intensities of the delta and gamma bands of nitric oxide in the nighttime terrestrial thermosphere are presented and used to infer the rate coefficient for the transition from the C 2 Pi to the A 2 Sigma + states. The nightglow spectrum was observed between 1900 and 2300 A at a resolution of 15 A by a rocket-borne scanning 1/4-m spectrometer pointing north at an apogee of 150 km. Progressions of the delta, gamma and epsilon bands are identified on the spectra by the construction of synthetic spectra, and the contributions of resonance fluorescence to the total band intensities are calculated. Finally, the ratio of the sum of the gamma bands for v-prime = 0 to the sum of the delta bands for v-prime = 0 is used to derive a branching ratio of 0.21 + or - 0.04 to the A 2 Sigma + state, which yields a probability for the C-A transition of 5.6 + or - 1.5 x to the 6th/sec.

Optical spectroscopy, 1.06μm emission properties of Nd3+-doped phosphate based glasses.

PubMed

Sk Nayab, Rasool; T, Sasikala; A, Mohan Babu; L, Rama Moorthy; C K, Jayasankar

2017-06-05

Neodymium doped phosphate based glasses with composition of (P 2 O 5 +K 2 O+Al 2 O 3 +CaF 2 ) were prepared. The samples were analysed through differential thermal analysis (DTA), Fourier transform infrared (FTIR), absorption, emission and decay measurements. Judd-Ofelt parameters (Ω λ ) have been determined from the spectral intensities of absorption bands in order to calculate the radiative parameters like radiative transition probabilities (A R ), radiative lifetime (τ R ) and branching ratios (β R ) for the 4 F 3/2 → 4 I 11/2 laser transition of Nd 3+ ion. The effective emission bandwidths (Δλ eff ), experimental branching ratios (β exp ) and stimulated emission cross-sections (σ e ) have been determined from the emission spectrum. The decay curves of the 4 F 3/2 level exhibited almost single exponential nature for all the Nd 3+ ion concentrations. Copyright © 2017 Elsevier B.V. All rights reserved.

Investigation of Tm3+/Yb3+ co-doped germanate-tellurite glasses for efficient 2 µm mid-infrared laser materials

NASA Astrophysics Data System (ADS)

Dou, Aoju; Shen, Lingling; Wang, Ning; Cai, Yangjian; Cai, Muzhi; Guo, Yanyan; Huang, Feifei; Tian, Ying; Xu, Shiqing; Zhang, Junjie

2018-05-01

The Tm3+/Yb3+ co-doped germanate-tellurite glasses with good thermal properties were prepared. Based on the absorption spectra and the Judd-Ofelt theory, the J-O intensity parameters (Ω t ), radiative transition probability (276.78 s- 1), fluorescence lifetime (3.89 ms), absorption and emission cross sections ({σ e} = 1.35 × 10- 20 cm2) were calculated. The 2 µm mid-infrared emission resulting from the 3F4→3H6 transition of Tm3+ sensitized by Yb3+ was observed pumped by 980 nm LD. Besides, the energy transfer mechanism between Yb3+ and Tm3+ was thoroughly discussed. The measured 2 µm emission lifetime of Tm3+/Yb3+ co-doped glass can reach as high as 2.38 ms. The above results showed that Tm3+/Yb3+ co-doping glass could be expected to be a promising material to achieve high efficient 2 µm lasing with a 980 nm LD pumping.

End point of a first-order phase transition in many-flavor lattice QCD at finite temperature and density.

PubMed

Ejiri, Shinji; Yamada, Norikazu

2013-04-26

Towards the feasibility study of the electroweak baryogenesis in realistic technicolor scenario, we investigate the phase structure of (2+N(f))-flavor QCD, where the mass of two flavors is fixed to a small value and the others are heavy. For the baryogenesis, an appearance of a first-order phase transition at finite temperature is a necessary condition. Using a set of configurations of two-flavor lattice QCD and applying the reweighting method, the effective potential defined by the probability distribution function of the plaquette is calculated in the presence of additional many heavy flavors. Through the shape of the effective potential, we determine the critical mass of heavy flavors separating the first-order and crossover regions and find it to become larger with N(f). We moreover study the critical line at finite density and the first-order region is found to become wider as increasing the chemical potential. Possible applications to real (2+1)-flavor QCD are discussed.

Abundance analysis of neodymium in the solar atmosphere

NASA Astrophysics Data System (ADS)

Abdelkawy, Ali G. A.; Shaltout, Abdelrazek M. K.; Beheary, M. M.; Bakry, A.

2017-10-01

Based on non-local thermodynamical equilibrium (NLTE) calculations, the solar neodymium (Nd) content was found based on a model atom of singly ionized neodymium (Nd II) containing 153 energy levels and 42 line transitions plus the ground state of Nd III. Here, we re-derive the solar Nd abundance using the model of the solar photosphere of Holweger & Müller.We succeed in selecting a good sample line list, relying on 20 Nd II solar lines together with the most accurate transition probabilities measured experimentally and available observational data. With damping parameters obtained from the literature, we find a mean NLTE solar photospheric Nd abundance of log ɛNd(1D) = 1.43 ± 0.16, which is in excellent agreement with the meteoritic value (log ɛNd = 1.45 ± 0.02). For a set of selected Nd II lines, the NLTE abundance correction is found to be +0.01 dex compared with the standard LTE effect. The influence of collisional interactions with electrons and neutral hydrogen atoms is investigated in detail.

The rate dependent response of a bistable chain at finite temperature

NASA Astrophysics Data System (ADS)

Benichou, Itamar; Zhang, Yaojun; Dudko, Olga K.; Givli, Sefi

2016-10-01

We study the rate dependent response of a bistable chain subjected to thermal fluctuations. The study is motivated by the fact that the behavior of this model system is prototypical to a wide range of nonlinear processes in materials physics, biology and chemistry. To account for the stochastic nature of the system response, we formulate a set of governing equations for the evolution of the probability density of meta-stable configurations. Based on this approach, we calculate the behavior for a wide range of parametric values, such as rate, temperature, overall stiffness, and number of elements in the chain. Our results suggest that fundamental characteristics of the response, such as average transition stress and hysteresis, can be captured by a simple law which folds the influence of all these factors into a single non-dimensional quantity. We also show that the applicability of analytical results previously obtained for single-well systems can be extended to systems having multiple wells by proper definition of rate and of the transition stress.

DNA binding site characterization by means of Rényi entropy measures on nucleotide transitions.

PubMed

Perera, A; Vallverdu, M; Claria, F; Soria, J M; Caminal, P

2008-06-01

In this work, parametric information-theory measures for the characterization of binding sites in DNA are extended with the use of transitional probabilities on the sequence. We propose the use of parametric uncertainty measures such as Rényi entropies obtained from the transition probabilities for the study of the binding sites, in addition to nucleotide frequency-based Rényi measures. Results are reported in this work comparing transition frequencies (i.e., dinucleotides) and base frequencies for Shannon and parametric Rényi entropies for a number of binding sites found in E. Coli, lambda and T7 organisms. We observe that the information provided by both approaches is not redundant. Furthermore, under the presence of noise in the binding site matrix we observe overall improved robustness of nucleotide transition-based algorithms when compared with nucleotide frequency-based method.

Theoretical interpretation of the nuclear structure of 88Se within the ACM and the QPM models.

NASA Astrophysics Data System (ADS)

Gratchev, I. N.; Thiamova, G.; Alexa, P.; Simpson, G. S.; Ramdhane, M.

2018-02-01

The four-parameter algebraic collective model (ACM) Hamiltonian is used to describe the nuclear structure of 88Se. It is shown that the ACM is capable of providing a reasonable description of the excitation energies and relative positions of the ground-state band and γ band. The most probable interpretation of the nuclear structure of 88Se is that of a transitional nucleus. The Quasiparticle-plus-Phonon Model (QPM) was also applied to describe the nuclear motion in 88Se. Preliminarily calculations show that the collectivity of second excited state {2}2+ is weak and that this state contains a strong two-quasiparticle component.

A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer

NASA Technical Reports Server (NTRS)

Lee, H.-W.; Lam, K. S.; Devries, P. L.; George, T. F.

1980-01-01

A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.

Spectroscopic properties of 130Sb, 132Te and 134I nuclei in 100-132Sn magic cores

NASA Astrophysics Data System (ADS)

Benrachi, Fatima; Khiter, Meriem; Laouet, Nadjet

2017-09-01

We have performed shell model calculations by means of Oxbash nuclear structure code using recent experimental single particle (spes) and single hole (shes) energies with valence space models above the 100sn and 132sn doubly magic cores. The two-body matrix elements (tbme) of original CD-Bonn realistic interaction are introduced after have been modified taking into account the three-body forces. We have focused our study on spectroscopic properties evaluation of 130Sb, 132Te and 134I nuclei, in particular their energy spectra, transition probabilities and moments have been determined. The getting spectra are in reasonable agreement with the experimental data.

Implementation of quantum logic gates using polar molecules in pendular states.

PubMed

Zhu, Jing; Kais, Sabre; Wei, Qi; Herschbach, Dudley; Friedrich, Bretislav

2013-01-14

We present a systematic approach to implementation of basic quantum logic gates operating on polar molecules in pendular states as qubits for a quantum computer. A static electric field prevents quenching of the dipole moments by rotation, thereby creating the pendular states; also, the field gradient enables distinguishing among qubit sites. Multi-target optimal control theory is used as a means of optimizing the initial-to-target transition probability via a laser field. We give detailed calculations for the SrO molecule, a favorite candidate for proposed quantum computers. Our simulation results indicate that NOT, Hadamard and CNOT gates can be realized with high fidelity, as high as 0.985, for such pendular qubit states.

Saliency Detection via Absorbing Markov Chain With Learnt Transition Probability.

PubMed

Lihe Zhang; Jianwu Ai; Bowen Jiang; Huchuan Lu; Xiukui Li

2018-02-01

In this paper, we propose a bottom-up saliency model based on absorbing Markov chain (AMC). First, a sparsely connected graph is constructed to capture the local context information of each node. All image boundary nodes and other nodes are, respectively, treated as the absorbing nodes and transient nodes in the absorbing Markov chain. Then, the expected number of times from each transient node to all other transient nodes can be used to represent the saliency value of this node. The absorbed time depends on the weights on the path and their spatial coordinates, which are completely encoded in the transition probability matrix. Considering the importance of this matrix, we adopt different hierarchies of deep features extracted from fully convolutional networks and learn a transition probability matrix, which is called learnt transition probability matrix. Although the performance is significantly promoted, salient objects are not uniformly highlighted very well. To solve this problem, an angular embedding technique is investigated to refine the saliency results. Based on pairwise local orderings, which are produced by the saliency maps of AMC and boundary maps, we rearrange the global orderings (saliency value) of all nodes. Extensive experiments demonstrate that the proposed algorithm outperforms the state-of-the-art methods on six publicly available benchmark data sets.

Estimating transition probabilities in unmarked populations --entropy revisited

USGS Publications Warehouse

Cooch, E.G.; Link, W.A.

1999-01-01

The probability of surviving and moving between 'states' is of great interest to biologists. Robust estimation of these transitions using multiple observations of individually identifiable marked individuals has received considerable attention in recent years. However, in some situations, individuals are not identifiable (or have a very low recapture rate), although all individuals in a sample can be assigned to a particular state (e.g. breeding or non-breeding) without error. In such cases, only aggregate data (number of individuals in a given state at each occasion) are available. If the underlying matrix of transition probabilities does not vary through time and aggregate data are available for several time periods, then it is possible to estimate these parameters using least-squares methods. Even when such data are available, this assumption of stationarity will usually be deemed overly restrictive and, frequently, data will only be available for two time periods. In these cases, the problem reduces to estimating the most likely matrix (or matrices) leading to the observed frequency distribution of individuals in each state. An entropy maximization approach has been previously suggested. In this paper, we show that the entropy approach rests on a particular limiting assumption, and does not provide estimates of latent population parameters (the transition probabilities), but rather predictions of realized rates.

Temperature dependence of the Urbach optical absorption edge: A theory of multiple phonon absorption and emission sidebands

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1989-01-01

The optical absorption coefficient for subgap electronic transitions in crystalline and disordered semiconductors is calculated by first-principles means with use of a variational principle based on the Feynman path-integral representation of the transition amplitude. This incorporates the synergetic interplay of static disorder and the nonadiabatic quantum dynamics of the coupled electron-phonon system. Over photon-energy ranges of experimental interest, this method predicts accurate linear exponential Urbach behavior of the absorption coefficient. At finite temperatures the nonlinear electron-phonon interaction gives rise to multiple phonon emission and absorption sidebands which accompany the optically induced electronic transition. These sidebands dominate the absorption in the Urbach regime and account for the temperature dependence of the Urbach slope and energy gap. The physical picture which emerges is that the phonons absorbed from the heat bath are then reemitted into a dynamical polaronlike potential well which localizes the electron. At zero temperature we recover the usual polaron theory. At high temperatures the calculated tail is qualitatively similar to that of a static Gaussian random potential. This leads to a linear relationship between the Urbach slope and the downshift of the extrapolated continuum band edge as well as a temperature-independent Urbach focus. At very low temperatures, deviations from these rules are predicted arising from the true quantum dynamics of the lattice. Excellent agreement is found with experimental data on c-Si, a-Si:H, a-As2Se3, and a-As2S3. Results are compared with a simple physical argument based on the most-probable-potential-well method.

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N1

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2006-01-01

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N(I) lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strength over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s(sup 2)p(sup 3) (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0), 2s2p(sup 4) (sup 4)P, 2s(sup 2)2p(sup 2)3s (sup 4)P, and (sup 2)P terms and from these levels to the levels of the 2s(sup 2)2p(sup 2)3p (sup 2)S(sup 0), (sup 4)D(sup 0), (sup 4)P(sup 0), (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0),2s(sup 2)2p(sup 2)3s(sup 2)D, 2s(sup 2)2p(sup 2)4s(sup 4)P, (sup 2)P, 2s(sup 2)2p(sup 2)3d(sup 2)P, (sup 4)F,(sup 2)F,(sup 4)P, (sup 4)D, and (sup 2)D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.