Theoretical treatment of photodissociation of water by time-dependent quantum mechanical methods
International Nuclear Information System (INIS)
Weide, K.
1993-01-01
An algorithm for wavepacket propagation, based on Kosloff's method of expansion of the time evolution operator in terms of Chebychev polynomials, and some details of its implementation are described. With the programs developed, quantum-mechanical calculations for up to three independent molecular coordinates are possible and feasible and therefore photodissociation of non-rotating triatomic molecules can be treated exactly. The angular degree of freedom here is handled by expansion in terms of free diatomic rotor states. The time-dependent wave packet picture is compared with the more traditional view of stationary wave functions, and both are used to interpret computational results where appropriate. Two-dimensional calculations have been performed to explain several experimental observations about water photodissociation. All calculations are based on ab initio potential energy surfaces, and it is explained in each case why it is reasonable to neglect the third degree of freedom. Many experimental results are reproduced quantitatively. (orig.) [de
Photodissociation of NaH using time-dependent Fourier grid method
Indian Academy of Sciences (India)
We have solved the time dependent Schrödinger equation by using the Chebyshev polynomial scheme and Fourier grid Hamiltonian method to calculate the dissociation cross section of NaH molecule by 1-photon absorption from the 1+ state to the 1 state. We have found that the results differ signiﬁcantly from an ...
Far-infrared and submillimeter spectroscopy of photodissociation regions
International Nuclear Information System (INIS)
Qaiyum, A.
1993-12-01
The physical properties of the galactic and extragalactic photodissociation regions, warm gas components molecular clouds are, generally, derived through the far-infrared (FIR) fine structure and submillimeter line emissions arising out of these regions. In the theoretical studies of these lines the model of Tielens and Hollenbach (herein after referred as TH) are usually employed in which all the opacity is assumed local in escape probability formalism and inward directed photons do not escape. These assumptions are contrary to the observational facts, where most of the lines are found optically thin except OI (63 μm) and low rotational transitions of CO and some other molecules. The optically thin medium will allow the radiation to escape through any face of the region. These observational evidences let us to assume finite parallel plane slab, instead of semi-infinite parallel slab, in which the photons are allowed to escape from both surfaces (back and front). In the present study an attempt has been made to incorporate the two sided escape of photons from the PDRs and to study its effect on the FIR and submillimeter line emission from the PDRs/molecular clouds. Further the present formalism is also employed to study the clumpy PDRs/molecular clouds. The preliminary results show that now serious consequences are found on the thermal and chemical structure of the regions but individual line emissions are modified by differing factors. Particularly at low density and low kinetic temperature the change is substantial but at density greater than the critical density of the line and temperature close to the excitation temperature its effect is almost negligible. An attempt has also been made to study the physical conditions of the M17 region employing the present formalism. (author). 49 refs, 8 figs, 1 tab
Properties of Highly Rotationally Excited H2 in Photodissociation Regions
Cummings, Sally Jane; Wan, Yier; Stancil, Phillip C.; Yang, Benhui H.; Zhang, Ziwei
2018-06-01
H2 is the dominant molecular species in the vast majority of interstellar environments and it plays a crucial role as a radiative coolant. In photodissociation regions, it is one of the primary emitters in the near to mid-infrared which are due to lines originating from highly excited rotational levels. However, collisional data for rotational levels j>10 are sparse, particularly for H2-H2 collisions. Utilizing new calculations for para-H2 and ortho-H2 collisional rate coefficients with H2 for j as high as 30, we investigate the effects of the new results in standard PDR models with the spectral simulation package Cloudy. We also perform Cloudy models of the Orion Bar and use Radex to explore rotational line ratio diagnostics. The resulting dataset of H2 collisional data should find wide application to other molecular environments. This work was support by Hubble Space Telescope grant HST-AR-13899.001-A and NASA grants NNX15AI61G and NNX16AF09G.
The effects of polycyclic aromatic hydrocarbons on the chemistry of photodissociation regions
Bakes, ELO; Tielens, AGGM
1998-01-01
We have investigated the effects of including polycylic aromatic hydrocarbons (PAHs) on the abundance of neutral atoms and molecules for two typical photodissociation regions (PDRs): a high-density case (the Orion complex) and a low-density case. PAHs provide a large surface area for chemistry
TIME DEPENDENT NONEQUILIBRIUM IONIZATION OF TRANSITION REGION LINES OBSERVED WITH IRIS
Energy Technology Data Exchange (ETDEWEB)
Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H. [Lockheed Martin Solar and Astrophysics Laboratory, Palo Alto, CA 94304 (United States); Gudiksen, Boris, E-mail: j.m.sykora@astro.uio.no [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, NO-0315 Oslo (Norway)
2016-01-20
The properties of nonstatistical equilibrium ionization of silicon and oxygen ions are analyzed in this work. We focus on five solar targets (quiet Sun; coronal hole; plage; quiescent active region, AR; and flaring AR) as observed with the Interface Region Imaging Spectrograph (IRIS). IRIS is best suited for this work owing to the high cadence (up to 0.5 s), high spatial resolution (up to 0.″32), and high signal-to-noise ratios for O iv λ1401 and Si iv λ1402. We find that the observed intensity ratio between lines of three times ionized silicon and oxygen ions depends on their total intensity and that this correlation varies depending on the region observed (quiet Sun, coronal holes, plage, or active regions) and on the specific observational objects present (spicules, dynamic loops, jets, microflares, or umbra). In order to interpret the observations, we compare them with synthetic profiles taken from 2D self-consistent radiative MHD simulations of the solar atmosphere, where the statistical equilibrium or nonequilibrium treatment of silicon and oxygen is applied. These synthetic observations show vaguely similar correlations to those in the observations, i.e., between the intensity ratios and their intensities, but only in the nonequilibrium case do we find that (some of) the observations can be reproduced. We conclude that these lines are formed out of statistical equilibrium. We use our time-dependent nonequilibrium ionization simulations to describe the physical mechanisms behind these observed properties.
Imaging the Dynamics of CH2BrI Photodissociation in the Near Ultraviolet Region.
Pan, Changen; Zhang, Yi; Lee, Joseph D; Kidwell, Nathanael M
2018-04-19
The photodissociation dynamics of jet-cooled CH 2 BrI were investigated in the near-ultraviolet (UV) region from 280-310 nm using velocity map imaging. We report the translational and internal energy distributions of the CH 2 Br radical and ground state I ( 2 P 3/2 ) or spin-orbit excited I ( 2 P 1/2 ) fragments determined by velocity map imaging of the ionized iodine fragments following 2 + 1 resonance-enhanced multiphoton ionization of the nascent neutral iodine products. The velocity distributions indicate that most of the available energy is partitioned into the internal energy of the CH 2 Br radical with only modest translational excitation imparted to the cofragments, which is consistent with a simple impulsive model. Furthermore, from extrapolation of the velocity distribution results, the first determination of the C-I bond dissociation energy of CH 2 BrI is presented in this work to be D 0 = 16 790 ± 590 cm -1 . The ion images appear anisotropic, indicative of a prompt dissociation, and the derived anisotropy parameters are consistently positive. Additionally, the angular distributions report on the electronic excited state dynamics, which validate recent works characterizing the electronic states responsible for the first absorption band of CH 2 BrI. In the current work, photolysis of CH 2 BrI on the red edge of the absorption spectrum reveals an additional channel producing I ( 2 P 3/2 ) fragments.
M≥7 Earthquake rupture forecast and time-dependent probability for the Sea of Marmara region, Turkey
Murru, Maura; Akinci, Aybige; Falcone, Guiseppe; Pucci, Stefano; Console, Rodolfo; Parsons, Thomas E.
2016-01-01
We forecast time-independent and time-dependent earthquake ruptures in the Marmara region of Turkey for the next 30 years using a new fault-segmentation model. We also augment time-dependent Brownian Passage Time (BPT) probability with static Coulomb stress changes (ΔCFF) from interacting faults. We calculate Mw > 6.5 probability from 26 individual fault sources in the Marmara region. We also consider a multisegment rupture model that allows higher-magnitude ruptures over some segments of the Northern branch of the North Anatolian Fault Zone (NNAF) beneath the Marmara Sea. A total of 10 different Mw=7.0 to Mw=8.0 multisegment ruptures are combined with the other regional faults at rates that balance the overall moment accumulation. We use Gaussian random distributions to treat parameter uncertainties (e.g., aperiodicity, maximum expected magnitude, slip rate, and consequently mean recurrence time) of the statistical distributions associated with each fault source. We then estimate uncertainties of the 30-year probability values for the next characteristic event obtained from three different models (Poisson, BPT, and BPT+ΔCFF) using a Monte Carlo procedure. The Gerede fault segment located at the eastern end of the Marmara region shows the highest 30-yr probability, with a Poisson value of 29%, and a time-dependent interaction probability of 48%. We find an aggregated 30-yr Poisson probability of M >7.3 earthquakes at Istanbul of 35%, which increases to 47% if time dependence and stress transfer are considered. We calculate a 2-fold probability gain (ratio time-dependent to time-independent) on the southern strands of the North Anatolian Fault Zone.
Teklezgi, Belin G; Pamreddy, Annapurna; Baijnath, Sooraj; Kruger, Hendrik G; Naicker, Tricia; Gopal, Nirmala D; Govender, Thavendran
2018-02-14
Opioid addiction is a serious public health concern with severe health and social implications; therefore, extensive therapeutic efforts are required to keep users drug free. The two main pharmacological interventions, in the treatment of addiction, involve management with methadone an mu (μ)-opioid agonist and treatment with naltrexone, μ-opioid, kappa (κ)-opioid and delta (δ)-opioid antagonist. MET and NAL are believed to help individuals to derive maximum benefit from treatment and undergo a full recovery. The aim of this study was to determine the localization and distribution of MET and NAL, over a 24-hour period in rodent brain, in order to investigate the differences in their respective regional brain distributions. This would provide a better understanding of the role of each individual drug in the treatment of addiction, especially NAL, whose efficacy is controversial. Tissue distribution was determined by using mass spectrometric imaging (MSI), in combination with quantification via liquid chromatography tandem mass spectrometry. MSI image analysis showed that MET was highly localized in the striatal and hippocampal regions, including the nucleus caudate, putamen and the upper cortex. NAL was distributed with high intensities in the mesocorticolimbic system including areas of the cortex, caudate putamen and ventral pallidum regions. Our results demonstrate that MET and NAL are highly localized in the brain regions with a high density of μ-receptors, the primary sites of heroin binding. These areas are strongly implicated in the development of addiction and are the major pathways that mediate brain stimulation during reward. © 2018 Society for the Study of Addiction.
Universal time dependence of nighttime F region densities at high latitudes
International Nuclear Information System (INIS)
Beaujardiere, O.D.L.; Wickwar, V.B.; Caudal, G.
1985-01-01
Coordinated EISCAT, Chatanika, and Millstone Hill incoherent scatter radar observations have revealed that in the auroral zone, the nighttime F region densities vary substantially with the longitude of the observing site: EISCAT's densities are the largest and Millstone Hill's are the lowest. The nighttime F region densities measured by the individual radars are not uniform: the regions where the densities are maximum are the so-called ''blobs'' or ''patches'' that have been reported previously. The observations are consistent with the hypothesis that the nighttime densities are produced in significant amounts not by particle precipitation, but by solar EUV radiation, and that they have been transported across the polar cap. The observed differences can be explained by the offset of the geographic and geomagnetic poles. A larger portion of the magnetospheric convection pattern is sunlit when EISCAT is in the midnight sector than when Chatanika is. In winter, when Millstone Hill is in the midnight sector, almost all the auroral oval is in darkness. This universal time effect, which was observed on all coordinated three-radar experiments (September 1981 to February 1982), is illustrated using two periods of coincident radar and satellite observations: November 18--19, and December 15--16, 1981. These two periods were selected because they corresponded to relatively steady conditions. Dynamics Explorer (DE) measurements are used to aid in interpreting the radar observations. De 1 auroral images show what portion of the oval was sunlit. DE 2 data are used to measure the ion drift across the polar cap. Because the altitude of the ionization peak was high, the decay time of the F region density was substantially longer than the transit time across the polar cap
Ando, H.; Fukuhara, T.; Takagi, M.; Imamura, T.; Sugimoto, N.; Sagawa, H.
2017-12-01
The radio occultation technique is one of the most useful methods to retrieve vertical temperature profiles in planetary atmospheres. Ultra-Stable Oscillator (USO) onboard Venus Climate Orbiter, Akatsuki, enables us to investigate the thermal structure of the Venus atmosphere between about 40-90 km levels. It is expected that 35 temperature profiles will be obtained by the radio occultation measurements of Akatsuki until August 2017. Static stability derived from the temperature profiles shows its local time dependence above the cloud top level at low-latitudes equatorward of 25˚. The vertical profiles of the static stability in the dawn and dusk regions have maxima at 77 km and 82 km levels, respectively. A general circulation model (GCM) for the Venus atmosphere (AFES-Venus) reproduced the thermal structures above the cloud top qualitatively consistent with the radio occultation measurements; the maxima of the static stability are seen both in the dawn and dusk regions, and the local maximum of the static stability in the dusk region is located at a highler level than in the dawn region. Comparing the thermal structures between the radio occultation measurements and the GCM results, it is suggested that the distribution of the static stability above the cloud top could be strongly affected by the diurnal tide. The thermal tide influences on the thermal structure as well as atmospheric motions above the cloud level. In addition, it is shown that zonally averaged zonal wind at about 80 km altitude could be roughly estimated from the radio occultation measurements using the dispersion relation of the internal gravity wave.
Inglesfield, J. E.
2007-01-01
A method of solving the time-dependent Schr\\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an embedding term added on to the Hamiltonian. This time-dependent embedding term is derived from the Fourier transform of the energy-dependent embedding potential, which embeds the time-independent Schr\\"odinger equation. Results are presented for a one-dimensi...
Leroy, Felix; Brann, David H; Meira, Torcato; Siegelbaum, Steven A
2017-08-30
Input-timing-dependent plasticity (ITDP) is a circuit-based synaptic learning rule by which paired activation of entorhinal cortical (EC) and Schaffer collateral (SC) inputs to hippocampal CA1 pyramidal neurons (PNs) produces a long-term enhancement of SC excitation. We now find that paired stimulation of EC and SC inputs also induces ITDP of SC excitation of CA2 PNs. However, whereas CA1 ITDP results from long-term depression of feedforward inhibition (iLTD) as a result of activation of CB1 endocannabinoid receptors on cholecystokinin-expressing interneurons, CA2 ITDP results from iLTD through activation of δ-opioid receptors on parvalbumin-expressing interneurons. Furthermore, whereas CA1 ITDP has been previously linked to enhanced specificity of contextual memory, we find that CA2 ITDP is associated with enhanced social memory. Thus, ITDP may provide a general synaptic learning rule for distinct forms of hippocampal-dependent memory mediated by distinct hippocampal regions. Copyright © 2017 Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Wragg, Jack; Parker, J S; Van der Hart, H W
2015-01-01
R-Matrix with Time-dependence (RMT) theory has been extended to cover double-ionisation processes. An application to photoionisation of He is demonstrated, with an emphasis on double-ionisation cross sections. (paper)
Kaplan, Kyle F.; Dinerstein, Harriet L.; Oh, Heeyoung; Mace, Gregory N.; Kim, Hwihyun; Sokal, Kimberly R.; Pavel, Michael D.; Lee, Sungho; Pak, Soojong; Park, Chan; Sok Oh, Jae; Jaffe, Daniel T.
2017-04-01
We present a deep near-infrared spectrum of the Orion Bar Photodissociation Region (PDR) taken with the Immersion Grating INfrared Spectrometer (IGRINS) on the 2.7 m telescope at the McDonald Observatory. IGRINS has high spectral resolution (R˜ {{45,000}}) and instantaneous broad wavelength coverage (1.45-2.45 μm), enabling us to detect 87 emission lines from rovibrationally excited molecular hydrogen (H2) that arise from transitions out of 69 upper rovibration levels of the electronic ground state. These levels cover a large range of rotational and vibrational quantum numbers and excitation energies, making them excellent probes of the excitation mechanisms of H2 and physical conditions within the PDR. The Orion Bar PDR is thought to consist of cooler high density clumps or filaments (T=50{--}250 K, {n}H={10}5{--}{10}7 cm-3) embedded in a warmer lower density medium (T=250{--}1000 K, {n}H={10}4{--}{10}5 cm-3). We fit a grid of constant temperature and density Cloudy models, which recreate the observed H2 level populations well, to constrain the temperature to a range of 600-650 K and the density to {n}H=2.5× {10}3{--}{10}4 cm-3. The best-fit model gives T = 625 K and {n}H=5× {10}3 cm-3. This well-constrained warm temperature is consistent with kinetic temperatures found by other studies for the Orion Bar’s lower density medium. However, the range of densities well fit by the model grid is marginally lower than those reported by other studies. We could be observing lower density gas than the surrounding medium, or perhaps a density-sensitive parameter in our models is not properly estimated.
Energy Technology Data Exchange (ETDEWEB)
Bhattacherjee, Aditi, E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu; Attar, Andrew R., E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Leone, Stephen R., E-mail: srl@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States)
2016-03-28
Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH{sub 2} =CHCH{sub 2}I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground ({sup 2}P{sub 3/2}, I) and spin-orbit excited ({sup 2}P{sub 1/2}, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N{sub 4/5} edge (45–60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive n{sub I}σ{sup ∗}{sub C—I} excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ{sup ∗} states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ{sup ∗}(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs–65 fs and decay completely by 145 fs–185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic
Half collisions by photodissociation
International Nuclear Information System (INIS)
Vries, M.S. de.
1980-01-01
The photodissociation of ICl, IBr and TlBr is studied. In the case of ICl and IBr, experiments are reported at various wavelengths between 480 and 530 nm. For TlBr, photodissociation for a range of wavelengths between 264 and 268 nm is reported. (Auth.)
The unsteady flow of a nanofluid in the stagnation point region of a time-dependent rotating sphere
Directory of Open Access Journals (Sweden)
Malvandi Amir
2015-01-01
Full Text Available This paper deals with the unsteady boundary layer flow and heat transfer of nanofluid over a time-dependent rotating sphere where the free stream velocity varies continuously with time. The boundary layer equations were normalized via similarity variables and solved numerically. Best accuracy of the results has been obtained for regular fluid with previous studies. The nanofluid is treated as a two-component mixture (base fluid+nanoparticles that incorporates the effects of Brownian diffusion and thermophoresis simultaneously as the two most important mechanisms of slip velocity in laminar flows. Our outcomes indicated that as A and λ increase, surface shear stresses, heat transfer and concentration rates, climb up. Also, Increasing the thermophoresis Nt is found to decrease in the both values of heat transfer and concentration rates. This decrease supresses for higher thermophoresis number. In addition, it was observed that unlike the heat transfer rate, a rise in Brownian motion Nb, leads to an increase in concentration rate.
Mandal, Anuvab; Singh, Param Jeet; Shastri, Aparna; Sunanda, K.; Jagatap, B. N.
2015-05-01
Photoabsorption and photodissociation studies of dimethyl sulphoxide and its deuterated isotopologue (DMSO-h6 and DMSO-d6) are performed using synchrotron radiation in the 35,000-80,000 cm-1 region. In the photoabsorption spectrum, Rydberg series converging to the first three ionization potentials of DMSO at 9.1, 10.1 and 12.3 eV corresponding to removal of an electron from the highest three occupied molecular orbitals (14a‧, 7a″ and 13a‧) are observed. Based on a quantum defect analysis, Rydberg series assignments are extended to higher members as compared to earlier works and a few ambiguities in earlier assignments are clarified. Analysis is aided by quantum chemical calculations using the DFT and TDDFT methodologies. Vibronic structures observed in the spectrum of DMSO-h6 in the regions 7.7-8.1 eV and 8.1-8.8 eV are attributed to the transitions 7a″→4p at 7.862 eV and 14a‧→6s/4d at 8.182 eV, respectively. Photoabsorption spectra of DMSO-h6 and -d6 recorded using a broad band incident radiation show prominent peaks, which are identified and assigned to electronic and vibronic transitions of the SO radical. This provides a direct confirmation of the fact that DMSO preferentially dissociates into CH3 and SO upon UV-VUV excitation, as proposed in earlier photodissociation studies. An extended vibronic band system associated with the e1Π-X3Σ- transition of the SO radical is identified and assigned. The complete VUV photoabsorption spectrum of DMSO-d6 is also reported here for the first time.
Iron monoxide photodissociation
Chestakov, D. A.; Parker, D. H.; Baklanov, A. V.
2005-02-01
The photodissociation of Fe56O was studied by means of the velocity map imaging technique. A molecular beam of iron atoms and iron monoxide molecules was created using an electrical discharge with an iron electrode in a supersonic expansion of molecular oxygen. The ground state iron atom Fe(D45) and FeO concentrations in the molecular beam have been estimated. The dissociation energy of the FeO XΔ5 ground electronic state was found to be D00(FeO )=4.18±0.01eV. The effective absorption cross section of FeO at 252.39nm (vac), leading to the Fe(D45)+O(P3) dissociation channel, is ˜1.2×10-18cm2. A (1+1) resonantly enhanced multiphoton ionization spectrum of Fe56O in the region 39550-39580 cm-1 with rotational structure has been observed, but not assigned. Angular distributions of Fe(D45) and Fe(D35) products for the channel FeO →Fe(D4,35)+O(P3) have been measured at several points in the 210-260nm laser light wavelength region. The anisotropy parameter varies strongly with wavelength for both channels.
Time Dependent Quantum Mechanics
Morrison, Peter G.
2012-01-01
We present a systematic method for dealing with time dependent quantum dynamics, based on the quantum brachistochrone and matrix mechanics. We derive the explicit time dependence of the Hamiltonian operator for a number of constrained finite systems from this formalism. Once this has been achieved we go on to calculate the wavevector as a function of time, in order to demonstrate the use of matrix methods with respect to several concrete examples. Interesting results are derived for elliptic ...
Arruda, Andréia G; Alkhamis, Moh A; VanderWaal, Kimberly; Morrison, Robert B; Perez, Andres M
2017-01-01
Porcine reproductive and respiratory syndrome (PRRS) is, arguably, the most impactful disease for the North American swine industry, due to its known considerable economic losses. The Swine Health Monitoring Project (SHMP) monitors and reports weekly new PRRS cases in 766 sow herds across the US. The time-dependent reproduction number (TD-R) is a measure of a pathogen's transmissibility. It may serve to capture and report PRRS virus (PRRSV) spread at the regional and system levels. The primary objective of the study here was to estimate the TD-R values for PRRSV using regional and system-level PRRS data, and to contrast it with commonly used metrics of disease, such as incidence estimates and space-time clusters. The second objective was to test whether the estimated TD-Rs were homogenous across four US regions. Retrospective monthly incidence data (2009-2016) were available from the SHMP. The dataset was divided into four regions based on location of participants, and demographic and environmental features, namely, South East (North Carolina), Upper Midwest East (UME, Minnesota/Iowa), Upper Midwest West (Nebraska/South Dakota), and South (Oklahoma panhandle). Generation time distributions were fit to incidence data for each region, and used to calculate the TD-Rs. The Kruskal-Wallis test was used to determine whether the median TD-Rs differed across the four areas. Furthermore, we used a space-time permutation model to assess spatial-temporal patterns for the four regions. Results showed TD-Rs were right skewed with median values close to "1" across all regions, confirming that PRRS has an overall endemic nature. Variation in the TD-R patterns was noted across regions and production systems. Statistically significant periods of PRRSV spread (TD-R > 1) were identified for all regions except UME. A minimum of three space-time clusters were detected for all regions considering the time period examined herein; and their overlap with "spreader events" identified by
Hayashi, Keiji; Feng, Xueshang; Xiong, Ming; Jiang, Chaowei
2018-03-01
For realistic magnetohydrodynamics (MHD) simulation of the solar active region (AR), two types of capabilities are required. The first is the capability to calculate the bottom-boundary electric field vector, with which the observed magnetic field can be reconstructed through the induction equation. The second is a proper boundary treatment to limit the size of the sub-Alfvénic simulation region. We developed (1) a practical inversion method to yield the solar-surface electric field vector from the temporal evolution of the three components of magnetic field data maps, and (2) a characteristic-based free boundary treatment for the top and side sub-Alfvénic boundary surfaces. We simulate the temporal evolution of AR 11158 over 16 hr for testing, using Solar Dynamics Observatory/Helioseismic Magnetic Imager vector magnetic field observation data and our time-dependent three-dimensional MHD simulation with these two features. Despite several assumptions in calculating the electric field and compromises for mitigating computational difficulties at the very low beta regime, several features of the AR were reasonably retrieved, such as twisting field structures, energy accumulation comparable to an X-class flare, and sudden changes at the time of the X-flare. The present MHD model can be a first step toward more realistic modeling of AR in the future.
Time dependent drift Hamiltonian
International Nuclear Information System (INIS)
Boozer, A.H.
1982-04-01
The motion of individual charged particles in a given magnetic and an electric fields is discussed. An idea of a guiding center distribution function f is introduced. The guiding center distribution function is connected to the asymptotic Hamiltonian through the drift kinetic equation. The general non-stochastic magnetic field can be written in a contravariant and a covariant forms. The drift Hamiltonian is proposed, and the canonical gyroradius is presented. The proposed drift Hamiltonian agrees with Alfven's drift velocity to lowest non-vanishing order in the gyroradius. The relation between the exact, time dependent equations of motion and the guiding center equation is clarified by a Lagrangian analysis. The deduced Lagrangian represents the drift motion. (Kato, T.)
Kaplan, Kyle; Dinerstein, Harriet L.; Jaffe, Daniel Thomas
2017-06-01
“Photo-dissociation” or “Photon-dominated” Regions (PDRs) exist in the ISM at the interfaces between photo-ionized and molecular gas, where UV radiation sets the ionization state, chemistry, and excitation at the edge of the molecular zone. In these regions, excited rotational-vibrational (“rovibrational”) states of the ground electronic state of H2 are fluorescently populated when the absorption of far-UV photons conveys the molecules into excited electronic states from which they rapidly decay. Downward transitions from the excited rovibrational states produce a rich spectrum of near-infrared emission lines. Since these quadrupole lines are generally optically thin, their fluxes scale with the populations of the upper levels of the respective transitions, providing excellent probes of the excitation and physical conditions in the emitting regions. We present and compare high resolution (R~45,000) near-infrared (1.45-2.45 μm) spectra, obtained on the 2.7 m Harlan J. Smith Telescope at McDonald Observatory with the Immersion Grating INfrared Spectrometer (IGRINS) (Park et al. 2014, SPIE, 9147, 1), for a variety of Galactic PDRs including regions of high mass star formation, reflection nebulae, and planetary nebulae. Typically a large number of transitions, up to about 100 individual lines, are seen in each source. We fit grids of Cloudy models (Ferland et al. 2013, RMxAA, 49, 137) to the observed H2 emission to constrain physical parameters such as the temperature, density, and UV field of each PDR and explore the similarities and differences between the various environments where PDRs arise.This work used the Immersion Grating INfrared Spectrometer (IGRINS), developed under a collaboration between the University of Texas at Austin and the Korea Astronomy and Space Science Institute (KASI) with the financial support of the US National Science Foundation (NSF grant AST-1229522) to the University of Texas at Austin, and the Korean GMT Project of KASI. We
Energy Technology Data Exchange (ETDEWEB)
Roshi, D. Anish [National Radio Astronomy Observatory, Charlottesville and Green Bank, 520 Edgemont Road, Charlottesville, VA 22903 (United States); Goss, W. M. [National Radio Astronomy Observatory, P.O. Box O, Socorro, NM 87801 (United States); Jeyakumar, S., E-mail: aroshi@nrao.edu, E-mail: mgoss@nrao.edu, E-mail: sjk@astro.ugto.mx [Departamento de Astronomía, Universidad de Guanajuato, AP 144, Guanajuato CP 36000 (Mexico)
2014-10-01
We present images of C110α and H110α radio recombination line (RRL) emission at 4.8 GHz and images of H166α, C166α, and X166α RRL emission at 1.4 GHz, observed toward the star-forming region NGC 2024. The 1.4 GHz image with angular resolution ∼70'' is obtained using Very Large Array (VLA) data. The 4.8 GHz image with angular resolution ∼17'' is obtained by combining VLA and Green Bank Telescope data in order to add the short and zero spacing data in the uv plane. These images reveal that the spatial distributions of C110α line emission is confined to the southern rim of the H II region close to the ionization front whereas the C166α line emission is extended in the north-south direction across the H II region. The LSR velocity of the C110α line is 10.3 km s{sup –1} similar to that of lines observed from molecular material located at the far side of the H II region. This similarity suggests that the photodissociation region (PDR) responsible for C110α line emission is at the far side of the H II region. The LSR velocity of C166α is 8.8 km s{sup –1}. This velocity is comparable with the velocity of molecular absorption lines observed from the foreground gas, suggesting that the PDR is at the near side of the H II region. Non-LTE models for carbon line-forming regions are presented. Typical properties of the foreground PDR are T {sub PDR} ∼ 100 K, n{sub e}{sup PDR}∼5 cm{sup –3}, n {sub H} ∼ 1.7 × 10{sup 4} cm{sup –3}, and path length l ∼ 0.06 pc, and those of the far side PDR are T {sub PDR} ∼ 200 K, n{sub e}{sup PDR}∼ 50 cm{sup –3}, n {sub H} ∼ 1.7 × 10{sup 5} cm{sup –3}, and l ∼ 0.03 pc. Our modeling indicates that the far side PDR is located within the H II region. We estimate the magnetic field strength in the foreground PDR to be 60 μG and that in the far side PDR to be 220 μG. Our field estimates compare well with the values obtained from OH Zeeman observations toward NGC 2024. The H166α spectrum
International Nuclear Information System (INIS)
Roshi, D. Anish; Goss, W. M.; Jeyakumar, S.
2014-01-01
We present images of C110α and H110α radio recombination line (RRL) emission at 4.8 GHz and images of H166α, C166α, and X166α RRL emission at 1.4 GHz, observed toward the star-forming region NGC 2024. The 1.4 GHz image with angular resolution ∼70'' is obtained using Very Large Array (VLA) data. The 4.8 GHz image with angular resolution ∼17'' is obtained by combining VLA and Green Bank Telescope data in order to add the short and zero spacing data in the uv plane. These images reveal that the spatial distributions of C110α line emission is confined to the southern rim of the H II region close to the ionization front whereas the C166α line emission is extended in the north-south direction across the H II region. The LSR velocity of the C110α line is 10.3 km s –1 similar to that of lines observed from molecular material located at the far side of the H II region. This similarity suggests that the photodissociation region (PDR) responsible for C110α line emission is at the far side of the H II region. The LSR velocity of C166α is 8.8 km s –1 . This velocity is comparable with the velocity of molecular absorption lines observed from the foreground gas, suggesting that the PDR is at the near side of the H II region. Non-LTE models for carbon line-forming regions are presented. Typical properties of the foreground PDR are T PDR ∼ 100 K, n e PDR ∼5 cm –3 , n H ∼ 1.7 × 10 4 cm –3 , and path length l ∼ 0.06 pc, and those of the far side PDR are T PDR ∼ 200 K, n e PDR ∼ 50 cm –3 , n H ∼ 1.7 × 10 5 cm –3 , and l ∼ 0.03 pc. Our modeling indicates that the far side PDR is located within the H II region. We estimate the magnetic field strength in the foreground PDR to be 60 μG and that in the far side PDR to be 220 μG. Our field estimates compare well with the values obtained from OH Zeeman observations toward NGC 2024. The H166α spectrum shows narrow (1.7 km s –1 ) and broad (33 km s –1 ) line features. The
Discrete variable theory of triatomic photodissociation
International Nuclear Information System (INIS)
Heather, R.W.; Light, J.C.
1983-01-01
The coupled equations describing the photodissociation process are expressed in the discrete variable representation (DVR) in which the coupled equations are labeled by quadrature points rather than by internal basis functions. A large reduction in the dimensionality of the coupled equations can be realized since the spatially localized bound state nuclear wave function vanishes at most of the quadrature points, making only certain orientations of the fragments important in the region of strong interaction (small separation). The discrete variable theory of photodissociation is applied to the model dissociation of bent HCN in which the CN fragment is treated as a rigid rotor. The truncated DVR rotational distributions are compared with the exact close coupled rotational distributions, and excellent agreement with greatly reduced dimensionality of the equations is found
International Nuclear Information System (INIS)
Durkee, J.W. Jr.; Lee, C.E.
1985-01-01
The time-dependent, axisymmetric, isothermal slug flow convective-diffusion equation with radioactive decay is solved analytically to predict the behavior of a first-daughter fission-product undergoing gaseous transport through multiple materials in a cylindrical pipe. The integration coefficients are determined using the Davidon variable metric minimization method. The behavior of fission-product material deposited on the conduit wall is described by a standard mass-transfer model. The time-dependent plateout rate behavior, determined previously for parent fission-product deposition, is again evident for daughter product plateout. Dominance of the daughter plateout by parent deposition characteristics is apparent. The determination of the daughter wall mass-transfer and diffusion coefficient using a least-squares analysis of measured data depends upon a reasonably low ratio of parent/daughter half-lives. This is illustrated with 137 Cs/ 137 Ba(=2x10 5 ) and 140 Ba/ 140 La(=7.6), where for 137 Cs/ 137 Ba the solution sensitivity to the 137 Ba deposition parameters is small and for 140 Ba/ 140 La a reasonable solution is readily obtained. (author)
International Nuclear Information System (INIS)
Shore, B.W.; Eberly, J.H.
1983-01-01
The definition of a time-dependent spectrum registered by an idealized spectrometer responding to a time-varying electromagnetic field as proposed by Eberly and Wodkiewicz and subsequently applied to the spectrum of laser-induced fluorescence by Eberly, Kunasz, and Wodkiewicz is here extended to allow a stochastically fluctuating (interruption model) environment: we provide an algorithm for numerical determination of the time-dependent fluorescence spectrum of an atom subject to excitation by an intense noisy laser and interruptive relaxation
Calvi, Marta
2011-01-01
This review reports preliminary results of time-dependent measurements of decays of $B^0$ mesons and $B^0_s$ mesons coming from the analysis of about 36 pb$^{-1}$ of data collected by the LHCb experiment during the 2010 run of the Large Hadron Collider at $\\sqrt{s}$ = 7 TeV.
Calvi, Marta; Collaboration, for the LHCb
2011-01-01
This review reports preliminary results of time-dependent measurements of decays of B^0 mesons and B^0_s mesons coming from the analysis of about 36 pb^-1 of data collected by the LHCb experiment during the 2010 run of the Large Hadron Collider at sqrt(s)=7 TeV.
Time dependent view factor methods
International Nuclear Information System (INIS)
Kirkpatrick, R.C.
1998-03-01
View factors have been used for treating radiation transport between opaque surfaces bounding a transparent medium for several decades. However, in recent years they have been applied to problems involving intense bursts of radiation in enclosed volumes such as in the laser fusion hohlraums. In these problems, several aspects require treatment of time dependence
Reconstructing time-dependent dynamics
Clemson, Philip; Lancaster, Gemma; Stefanovska, Aneta
2016-01-01
The usefulness of the information extracted from biomedical data relies heavily on the underlying theory of the methods used in its extraction. The assumptions of stationarity and autonomicity traditionally applied to dynamical systems break down when considering living systems, due to their inherent time-variability. Living systems are thermodynamically open, and thus constantly interacting with their environment. This results in highly nonlinear, time-dependent dynamics. The aim of signal a...
Fast beam studies of free radical photodissociation
Energy Technology Data Exchange (ETDEWEB)
Neumark, D.M. [Lawrence Berkeley Laboratory, CA (United States)
1993-12-01
The authors have developed a novel technique for studying the photodissociation spectroscopy and dynamics of free radicals. In these experiments, radicals are generated by laser photodetachment of a fast (6-8 keV) mass-selected negative ion beam. The resulting radicals are photodissociated with a second laser, and the photofragments are collected and detected with high efficiency using a microchannel plate detector. The overall process is: ABC{sup -} {yields} ABC + e{sup -} {yields} A + BC, AB + C. Two types of fragment detection schemes are used. To map out the photodissociation cross-section of the radical, the photodissociation laser is scanned and the total photofragment yield is measured as a function of wavelength. In other experiments, the photodissociation frequency is fixed and the photofragment masses, kinetic energy release, and scattering angle is determined for each photodissociation event.
Vector properties in molecular photodissociation
International Nuclear Information System (INIS)
Underwood, J.
1999-12-01
The technique of resonance enhanced multi-photon ionization (REMPI) of atomic and molecular species produced from a photofragmentation event combined with time-of flight (TOF) detection is used to examine scalar and vector properties following photodissociation. This technique is applied to the study of methyl bromide dissociation in a product state specific manner. We report measurements of the angular distributions and kinetic energy releases of the resulting bromine atoms in the ground and first spin-orbit excited state. Additionally we report measurements of the angular distributions and kinetic energy releases of the methyl fragment in the ground vibrational state, and also the excited state with one quanta in the ν 2 vibrational modes. These studies were carried out in the red wing of the absorption band at several wavelengths. For these measurements we were able to resolve the spin orbit state of the partner bromine fragment. From our observations we find new evidence for enhanced nonadiabatic curve crossing active in methyl bromide dissociation in comparison with earlier studies of methyl iodide. The atomic polarization produced following photodissociation of a diatomic molecule was investigated both theoretically and experimentally. We develop theoretical expressions relating the lab frame and molecular frame atomic polarization to the photoexcitation and subsequent dissociation of a diatomic molecule. This treatment includes both incoherent, coherent and non-adiabatic processes which may be active in the photodissociation process. We treat the general case of a polarized diatomic molecule yielding two fragments with non zero angular momentum. Experimentally, an investigation of the polarization of atomic Cl( 2 P 3/2 ) photofragments from the ∼330 nm photolysis of molecular chlorine using the REMPI-TOF technique is reported. We present a theoretical framework in which to treat such experiments allowing the extraction of parameters with direct physical
Selfsimilar time dependent shock structures
International Nuclear Information System (INIS)
Beck, R.; Drury, L.O.
1985-01-01
Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The same argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions
Selfsimilar time dependent shock structures
Beck, R.; Drury, L. O.
1985-01-01
Diffusive shock acceleration as an astrophysical mechanism for accelerating charged particles has the advantage of being highly efficient. This means however that the theory is of necessity nonlinear; the reaction of the accelerated particles on the shock structure and the acceleration process must be self-consistently included in any attempt to develop a complete theory of diffusive shock acceleration. Considerable effort has been invested in attempting, at least partially, to do this and it has become clear that in general either the maximum particle energy must be restricted by introducing additional loss processes into the problem or the acceleration must be treated as a time dependent problem (Drury, 1984). It is concluded that stationary modified shock structures can only exist for strong shocks if additional loss processes limit the maximum energy a particle can attain. This is certainly possible and if it occurs the energy loss from the shock will lead to much greater shock compressions. It is however equally possible that no such processes exist and we must then ask what sort of nonstationary shock structure develops. The ame argument which excludes stationary structures also rules out periodic solutions and indeed any solution where the width of the shock remains bounded. It follows that the width of the shock must increase secularly with time and it is natural to examine the possibility of selfsimilar time dependent solutions.
Photodissociation processes in molecular beams
International Nuclear Information System (INIS)
Carlson, L.R.
1979-05-01
A description is presented of a study of the photodissociation dynamics of molecules in a molecular beam. Photo-fragmentation translational spectroscopy has been utilized to observe the photodissociation dynamics of ozone. Using a supersonic molecular beam and a 10 nanosecond pulsed laser at lambda = 266 nm, the velocities of the fragment products are measured by the method of time of flight. The resolution of the time of flight spectrum of ozone is sufficiently high that the electronic and vibrational states are clearly resolved and identified. Above the threshold (lambda 1 D) has been estimated in the past to be unity for the process O 3 ( 1 A 1 ) + hν)lambda 3 ( 1 B 2 ) → O 2 ( 1 Δ/sub g/) + O( 1 D). However a small production of O 2 ( 3 Σ/sub g/ - ) + O( 3 P) has been observed in this study. The O 2 ( 1 Δ/sub g/) product yields four vibrational states (v = 0, 1, 2, 3) which yields a vibrational temperature of 2700 0 K along with narrow energy distributions of rotational levels. These energy distributions are compared with photodissociation models along with the polarization dependence of the dissociative process which was also measured. 143 references
Photodissociation processes in molecular beams
Energy Technology Data Exchange (ETDEWEB)
Carlson, L.R.
1979-05-01
A description is presented of a study of the photodissociation dynamics of molecules in a molecular beam. Photo-fragmentation translational spectroscopy has been utilized to observe the photodissociation dynamics of ozone. Using a supersonic molecular beam and a 10 nanosecond pulsed laser at lambda = 266 nm, the velocities of the fragment products are measured by the method of time of flight. The resolution of the time of flight spectrum of ozone is sufficiently high that the electronic and vibrational states are clearly resolved and identified. Above the threshold (lambda < 310 nm), the quantum yield for the production of O(/sup 1/D) has been estimated in the past to be unity for the process O/sub 3/ (/sup 1/A/sub 1/) + h..nu..)lambda < 300 nm) ..-->.. O/sub 3/(/sup 1/B/sub 2/) ..-->.. O/sub 2/(/sup 1/..delta../sub g/) + O(/sup 1/D). However a small production of O/sub 2/ (/sup 3/..sigma../sub g//sup -/) + O(/sup 3/P) has been observed in this study. The O/sub 2/(/sup 1/..delta../sub g/) product yields four vibrational states (v = 0, 1, 2, 3) which yields a vibrational temperature of 2700/sup 0/K along with narrow energy distributions of rotational levels. These energy distributions are compared with photodissociation models along with the polarization dependence of the dissociative process which was also measured. 143 references.
Betweenness in time dependent networks
International Nuclear Information System (INIS)
Alsayed, Ahmad; Higham, Desmond J.
2015-01-01
The concept of betweenness has given rise to a very useful class of network centrality measures. Loosely, betweenness quantifies the level of importance of a node in terms of its propensity to act as an intermediary when messages are passed around the network. In this work we generalize a walk-based betweenness measure to the case of time-dependent networks, such as those arising in telecommunications and on-line social media. We also introduce a new kind of betweenness measure, temporal betweenness, which quantifies the importance of a time-point. We illustrate the effectiveness of these new measures on synthetic examples, and also give results on real data sets involving voice call, email and Twitter
Ultraviolet photodissociation dynamics of the benzyl radical.
Song, Yu; Zheng, Xianfeng; Lucas, Michael; Zhang, Jingsong
2011-05-14
Ultraviolet (UV) photodissociation dynamics of jet-cooled benzyl radical via the 4(2)B(2) electronically excited state is studied in the photolysis wavelength region of 228 to 270 nm using high-n Rydberg atom time-of-flight (HRTOF) and resonance enhanced multiphoton ionization (REMPI) techniques. In this wavelength region, H-atom photofragment yield (PFY) spectra are obtained using ethylbenzene and benzyl chloride as the precursors of benzyl radical, and they have a broad peak centered around 254 nm and are in a good agreement with the previous UV absorption spectra of benzyl. The H + C(7)H(6) product translational energy distributions, P(E(T))s, are derived from the H-atom TOF spectra. The P(E(T)) distributions peak near 5.5 kcal mol(-1), and the fraction of average translational energy in the total excess energy, , is ∼0.3. The P(E(T))s indicate the production of fulvenallene + H, which was suggested by recent theoretical studies. The H-atom product angular distribution is isotropic, with the anisotropy parameter β ≈ 0. The H/D product ratios from isotope labeling studies using C(6)H(5)CD(2) and C(6)D(5)CH(2) are reasonably close to the statistical H/D ratios, suggesting that the H/D atoms are scrambled in the photodissociation of benzyl. The dissociation mechanism is consistent with internal conversion of the electronically excited benzyl followed by unimolecular decomposition of the hot benzyl radical on the ground state.
Potential energy surface from spectroscopic data in the photodissociation of polyatomic molecules
International Nuclear Information System (INIS)
Kim, Hwa Joong; Kim, Young Sik
2001-01-01
The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO 2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-dependent inversion method and discussed several extensions of the algorithm
Time-dependent Autler-Townes spectroscopy
International Nuclear Information System (INIS)
Qamar, Sajid; Zhu, S.-Y.; Zubairy, M Suhail
2003-01-01
Autler-Townes spontaneous emission spectroscopy is revisited for a time-dependent case. We report the results of spontaneous emission spectra for nonstationary scattered light signals using the definition of the time-dependent physical spectrum. This is a rare example of problems where time-dependent spectra can be calculated exactly
Time-dependent Autler-Townes spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Qamar, Sajid [Institute for Quantum Studies, Department of Physics, Texas A and M University, College Station, TX 77843-4242 (United States); Zhu, S.-Y. [Institute for Quantum Studies, Department of Physics, Texas A and M University, College Station, TX 77843-4242 (United States); Zubairy, M Suhail [Institute for Quantum Studies, Department of Physics, Texas A and M University, College Station, TX 77843-4242 (United States)
2003-04-01
Autler-Townes spontaneous emission spectroscopy is revisited for a time-dependent case. We report the results of spontaneous emission spectra for nonstationary scattered light signals using the definition of the time-dependent physical spectrum. This is a rare example of problems where time-dependent spectra can be calculated exactly.
Holographic complexity for time-dependent backgrounds
Energy Technology Data Exchange (ETDEWEB)
Momeni, Davood, E-mail: davoodmomeni78@gmail.com [Eurasian International Center for Theoretical Physics and Department of General Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan); Faizal, Mir, E-mail: mirfaizalmir@googlemail.com [Irving K. Barber School of Arts and Sciences, University of British Columbia, Okanagan, 3333 University Way, Kelowna, British Columbia V1V 1V7 (Canada); Department of Physics and Astronomy, University of Lethbridge, Lethbridge, Alberta, T1K 3M4 (Canada); Bahamonde, Sebastian, E-mail: sebastian.beltran.14@ucl.ac.uk [Department of Mathematics, University College London, Gower Street, London, WC1E 6BT (United Kingdom); Myrzakulov, Ratbay [Eurasian International Center for Theoretical Physics and Department of General Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan)
2016-11-10
In this paper, we will analyze the holographic complexity for time-dependent asymptotically AdS geometries. We will first use a covariant zero mean curvature slicing of the time-dependent bulk geometries, and then use this co-dimension one spacelike slice of the bulk spacetime to define a co-dimension two minimal surface. The time-dependent holographic complexity will be defined using the volume enclosed by this minimal surface. This time-dependent holographic complexity will reduce to the usual holographic complexity for static geometries. We will analyze the time-dependence as a perturbation of the asymptotically AdS geometries. Thus, we will obtain time-dependent asymptotically AdS geometries, and we will calculate the holographic complexity for such time-dependent geometries.
Time dependent fracture and cohesive zones
Knauss, W. G.
1993-01-01
This presentation is concerned with the fracture response of materials which develop cohesive or bridging zones at crack tips. Of special interest are concerns regarding crack stability as a function of the law which governs the interrelation between the displacement(s) or strain across these zones and the corresponding holding tractions. It is found that for some materials unstable crack growth can occur, even before the crack tip has experienced a critical COD or strain across the crack, while for others a critical COD will guarantee the onset of fracture. Also shown are results for a rate dependent nonlinear material model for the region inside of a craze for exploring time dependent crack propagation of rate sensitive materials.
Time-dependent potential-functional embedding theory
International Nuclear Information System (INIS)
Huang, Chen; Libisch, Florian; Peng, Qing; Carter, Emily A.
2014-01-01
We introduce a time-dependent potential-functional embedding theory (TD-PFET), in which atoms are grouped into subsystems. In TD-PFET, subsystems can be propagated by different suitable time-dependent quantum mechanical methods and their interactions can be treated in a seamless, first-principles manner. TD-PFET is formulated based on the time-dependent quantum mechanics variational principle. The action of the total quantum system is written as a functional of the time-dependent embedding potential, i.e., a potential-functional formulation. By exploiting the Runge-Gross theorem, we prove the uniqueness of the time-dependent embedding potential under the constraint that all subsystems share a common embedding potential. We derive the integral equation that such an embedding potential needs to satisfy. As proof-of-principle, we demonstrate TD-PFET for a Na 4 cluster, in which each Na atom is treated as one subsystem and propagated by time-dependent Kohn-Sham density functional theory (TDDFT) using the adiabatic local density approximation (ALDA). Our results agree well with a direct TDDFT calculation on the whole Na 4 cluster using ALDA. We envision that TD-PFET will ultimately be useful for studying ultrafast quantum dynamics in condensed matter, where key regions are solved by highly accurate time-dependent quantum mechanics methods, and unimportant regions are solved by faster, less accurate methods
Time-dependent behavior of concrete
International Nuclear Information System (INIS)
Pfeiffer, P.A.; Tanabe, Tada-aki
1992-01-01
This paper is a condensed version of the material presented at the International Workshop on Finite Element Analysis of Reinforced Concrete, Session 4 -- Time Dependent Behavior, held at Columbia University, New York on June 3--6, 1991. Dr. P.A. Pfeiffer presented recent developments in time-dependent behavior of concrete and Professor T. Tanabe presented a review of research in Japan on time-dependent behavior of concrete. The paper discusses the recent research of time-dependent behavior of concrete in the past few years. 6 refs
Zheng, Xiao; Yam, ChiYung; Wang, Fan; Chen, GuanHua
2011-08-28
We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.
Time-dependent crashworthiness of polyurethane foam
Basit, Munshi Mahbubul; Cheon, Seong Sik
2018-05-01
Time-dependent stress-strain relationship as well as crashworthiness of polyurethane foam was investigated under constant impact energy with different velocities, considering inertia and strain-rate effects simultaneously during the impact testing. Even though the impact energies were same, the percentage in increase in densification strain due to higher impact velocities was found, which yielded the wider plateau region, i.e. growth in crashworthiness. This phenomenon is analyzed by the microstructure of polyurethane foam obtained from scanning electron microscopy. The equations, coupled with the Sherwood-Frost model and the impulse-momentum theory, were employed to build the constitutive equation of the polyurethane foam and calculate energy absorption capacity of the foam. The nominal stress-strain curves obtained from the constitutive equation were compared with results from impact tests and were found to be in good agreement. This study is dedicated to guiding designer use polyurethane foam in crashworthiness structures such as an automotive bumper system by providing crashworthiness data, determining the crush mode, and addressing a mathematical model of the crashworthiness.
Competing risks and time-dependent covariates
DEFF Research Database (Denmark)
Cortese, Giuliana; Andersen, Per K
2010-01-01
Time-dependent covariates are frequently encountered in regression analysis for event history data and competing risks. They are often essential predictors, which cannot be substituted by time-fixed covariates. This study briefly recalls the different types of time-dependent covariates......, as classified by Kalbfleisch and Prentice [The Statistical Analysis of Failure Time Data, Wiley, New York, 2002] with the intent of clarifying their role and emphasizing the limitations in standard survival models and in the competing risks setting. If random (internal) time-dependent covariates...
Atomic carbon emission from photodissociation of CO2. [planetary atmospheric chemistry
Wu, C. Y. R.; Phillips, E.; Lee, L. C.; Judge, D. L.
1978-01-01
Atomic carbon fluorescence, C I 1561, 1657, and 1931 A, has been observed from photodissociation of CO2, and the production cross sections have been measured. A line emission source provided the primary photons at wavelengths from threshold to 420 A. The present results suggest that the excited carbon atoms are produced by total dissociation of CO2 into three atoms. The cross sections for producing the O I 1304-A fluorescence through photodissociation of CO2 are found to be less than 0.01 Mb in the wavelength region from 420 to 835 A. The present data have implications with respect to photochemical processes in the atmospheres of Mars and Venus.
Time-dependent, Bianchi II, rotating universe
International Nuclear Information System (INIS)
Reboucas, M.J.
1981-01-01
An exact cosmological solution of Einstein's equations which has time-dependent rotation is presented. The t-constant sections are of Bianchi type II. The source of this geometry is a fluid which has not been thermalized. (Author) [pt
Topic 5: Time-Dependent Behavior
International Nuclear Information System (INIS)
Pfeiffer, P.A.; Tanabe, Tada-aki
1991-01-01
This chapter is a report of the material presented at the International Workshop on Finite Element Analysis of Reinforced Concrete, Session 4 -- Time Dependent Behavior, held at Columbia University, New York on June 3--6, 1991. Dr. P.A. Pfeiffer presented recent developments in time-dependent behavior of concrete and Professor T. Tanabe presented a review of research in Japan on time-dependent behavior of concrete. The chapter discusses the recent research of time-dependent behavior of concrete in the past few years in both the USA-European and Japanese communities. The author appreciates the valuable information provided by Zdenek P. Bazant in preparing the USA-European Research section
High power atomic iodine photodissociation lasers
International Nuclear Information System (INIS)
Palmer, R.E.; Padrick, T.D.; Jones, E.D.
1976-01-01
The atomic iodine photodissociation laser has developed into a system capable of producing nanosecond or shorter pulses of near infrared radiation with energies well in excess of a hundred J. Discussed are the operating characteristics, advantages, and potential problem areas associated with this laser
Isotope separation by selective photodissociation of glyoxal
International Nuclear Information System (INIS)
Marling, J.B.
1976-01-01
Dissociation products, mainly formaldehyde and carbon monoxide, enriched in a desired isotope of carbon, oxygen, or hydrogen are obtained by the selective photodissociation of glyoxal wherein glyoxal is subjected to electromagnetic radiation in a predetermined wavelength such that photon absorption excites and induces dissociation of only those molecules of glyoxal containing the desired isotope
Photodissociation and photoionization of organosulfur radicals
International Nuclear Information System (INIS)
Hsu, Chia-Wei.
1994-01-01
The dynamics of S( 3 P 2,1,0 , 1 D 2 ) production from the 193 nm photodissociation of CH 3 SCH 3 , H 2 S and CH 3 SH have been studied using 2 + 1 resonance-enhanced multiphoton ionization (REMPI) techniques. The 193 nm photodissociation cross sections for the formation of S from CH 3 S and HS initially prepared in the photodissociation of CH 3 SCH 3 and H 2 S are estimated to be 1 x 10 -18 and 1.1 x 10 -18 cm 2 , respectively. The dominant product from CH 3 S is S( 1 D), while that from SH is S( 3 P). Possible potential energy surfaces involved in the 193 nm photodissociation of CH 3 S(X) and SH(X) have been also examined. Threshold photoelectron (PE) spectra for SH and CH 3 S formed in the ultraviolet photodissociation of H 2 S and CH 3 SH, respectively, have been measured using the nonresonant two-photon pulsed field ionization (N2P-PFI) technique. The rotationally resolved N2P-PFI-PE spectrum obtained for SH indicates that photoionization dynamics favors the rotational angular momentum change ΔN 2 product 3,2 ) and CH 3 S(X 2 E 3/2 ) are determined to be 84,057.5 ± 3 cm -1 and 74,726 ± 8 cm -1 respectively. The spin-orbit splittings for SH(X 2 product 3/2,1/2 ) and CH 3 S(X 2 E 3/2,1/2 ) are found to be 377 ± 2 and 257 ± 5 cm -1 , respectively, in agreement with previous measurements. The C-S stretching frequency for CH 3 S + (X 3 A 2 ) is 733 ± 5 cm -1 . This study illustrates that the PFI-PE detection method can be a sensitive probe for the nascent internal energy distribution of photoproducts
Photodissociation and photoionisation of atoms and molecules of astrophysical interest
Heays, A. N.; Bosman, A. D.; van Dishoeck, E. F.
2017-06-01
A new collection of photodissociation and photoionisation cross sections for 102 atoms and molecules of astrochemical interest has been assembled, along with a brief review of the basic physical processes involved. These have been used to calculate dissociation and ionisation rates, with uncertainties, in a standard ultraviolet interstellar radiation field (ISRF) and for other wavelength-dependent radiation fields, including cool stellar and solar radiation, Lyman-α dominated radiation, and a cosmic-ray induced ultraviolet flux. The new ISRF rates generally agree within 30% with our previous compilations, with a few notable exceptions. Comparison with other databases such as PHIDRATES is made. The reduction of rates in shielded regions was calculated as a function of dust, molecular and atomic hydrogen, atomic C, and self-shielding column densities. The relative importance of these shielding types depends on the atom or molecule in question and the assumed dust optical properties. All of the new data are publicly available from the Leiden photodissociation and ionisation database. Sensitivity of the calculated rates to variation of temperature and isotope, and uncertainties in measured or calculated cross sections, are tested and discussed. Tests were conducted on the new rates with an interstellar-cloud chemical model, and find general agreement (within a factor of two) in abundances obtained with the previous iteration of the Leiden database assuming an ISRF, and order-of-magnitude variations assuming various kinds of stellar radiation. The newly parameterised dust-shielding factors makes a factor-of-two difference to many atomic and molecular abundances relative to parameters currently in the UDfA and KIDA astrochemical reaction databases. The newly-calculated cosmic-ray induced photodissociation and ionisation rates differ from current standard values up to a factor of 5. Under high temperature and cosmic-ray-flux conditions the new rates alter the equilibrium
Integrable Time-Dependent Quantum Hamiltonians
Sinitsyn, Nikolai A.; Yuzbashyan, Emil A.; Chernyak, Vladimir Y.; Patra, Aniket; Sun, Chen
2018-05-01
We formulate a set of conditions under which the nonstationary Schrödinger equation with a time-dependent Hamiltonian is exactly solvable analytically. The main requirement is the existence of a non-Abelian gauge field with zero curvature in the space of system parameters. Known solvable multistate Landau-Zener models satisfy these conditions. Our method provides a strategy to incorporate time dependence into various quantum integrable models while maintaining their integrability. We also validate some prior conjectures, including the solution of the driven generalized Tavis-Cummings model.
Fermions in interaction with time dependent fields
International Nuclear Information System (INIS)
Falkensteiner, P.; Grosse, H.
1988-01-01
We solve a two dimensional model describing the interaction of fermions with time dependent external fields. We work out the second quantized formulation and obtain conditions for equivalence of representations at different times. This implies the existence of sectors which describe charged states. We obtain the time dependence of charges and observe that charge differences become integer for unitary equivalent states. For scattering we require the equivalence of in- and out-representations; nevertheless charged sectors may be reached by suitable interactions and ionization is possible. 20 refs. (Author)
Investigations of Low Temperature Time Dependent Cracking
Energy Technology Data Exchange (ETDEWEB)
Van der Sluys, W A; Robitz, E S; Young, B A; Bloom, J
2002-09-30
The objective of this project was to investigate metallurgical and mechanical phenomena associated with time dependent cracking of cold bent carbon steel piping at temperatures between 327 C and 360 C. Boiler piping failures have demonstrated that understanding the fundamental metallurgical and mechanical parameters controlling these failures is insufficient to eliminate it from the field. The results of the project consisted of the development of a testing methodology to reproduce low temperature time dependent cracking in laboratory specimens. This methodology was used to evaluate the cracking resistance of candidate heats in order to identify the factors that enhance cracking sensitivity. The resultant data was integrated into current available life prediction tools.
Time dependent resonating Hartree-Bogoliubov theory
International Nuclear Information System (INIS)
Nishiyama, Seiya; Fukutome, Hideo.
1989-01-01
Very recently, we have developed a theory of excitations in superconducting Fermion systems with large quantum fluctuations that can be described by resonance of time dependent non-orthogonal Hartree-Bogoliubov (HB) wave functions with different correlation structures. We have derived a new kind of variation equation called the time dependent Resonating HB equation, in order to determine both the time dependent Resonating HB wave functions and coefficients of a superposition of the HB wave functions. Further we have got a new approximation for excitations from time dependent small fluctuations of the Resonating HB ground state, i.e., the Resonating HB RPA. The Res HB RPA equation is represented in a given single particle basis. It, however, has drawbacks that the constraints for the Res HB RPA amplitudes are not taken into account and the equation contains equations which are not independent. We shall derive another form of the Res HB RPA equation eliminating these drawbacks. The Res HB RPA gives a unified description of the vibrons and resonons and their interactions. (author)
Time-dependent Dyson orbital theory
Gritsenko, O.V.; Baerends, E.J.
2016-01-01
Although time-dependent density functional theory (TDDFT) has become the tool of choice for real-time propagation of the electron density ρN(t) of N-electron systems, it also encounters problems in this application. The first problem is the neglect of memory effects stemming from the, in TDDFT
Biological repair with time-dependent irradiation
International Nuclear Information System (INIS)
Broyles, A.A.; Shapiro, C.S.
1985-01-01
Recent experiments have provided new data that explore the effectiveness of biological repair in assessing damage due to exposures from ionizing radiation. These data are mainly from experiments conducted at constant dose rates, to study the effectiveness per unit dose of different dose rates. Here, we develop new formulae to estimate the effectiveness of an arbitrary time-dependent dose rate exposure
Scheduling with time-dependent execution times
Woeginger, G.J.
1995-01-01
We consider systems of tasks where the task execution times are time-dependent and where all tasks have some common deadline. We describe how to compute in polynomial time a schedule that minimizes the number of late tasks. This answers a question raised in a recent paper by Ho, Leung and Wei.
Hartree--Fock time-dependent problem
Energy Technology Data Exchange (ETDEWEB)
Bove, A; Fano, G [Bologna Univ. (Italy). Istituto di Fisica; Istituto Nazionale di Fisica Nucleare, Bologna (Italy)); Da Prato, G [Rome Univ. (Italy). Istituto di Matematica
1976-06-01
A previous result is generalized. An existence and uniqueness theorem is proved for the Hartree--Fock time-dependent problem in the case of a finite Fermi system interacting via a two body potential which is supposed to be dominated by the kinetic energy part of the one-particle Hamiltonian.
Isotope effects in photodissociation: Chemical reaction dynamics and implications for atmospheres
DEFF Research Database (Denmark)
Jørgensen, Solvejg; Grage, Mette Marie-Louise; Nyman, Gunnar
2008-01-01
obtaining the absorption and/or photodissociation cross section is a threefold challenge: computing the electronic potential energy surfaces, interpolating the potentials, and finding the cross section either by time-dependent or time-independent methods. We review electronic structure methods used...... for computing accurate potential energy surfaces for the electronic ground and accessible excited state as well as coupling between them (electronic transition dipole moments and diabatic coupling). Methods used for interpolation are discussed. The time-independent methods are based on the reflection principle...
Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.
Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht
2013-09-21
The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential.
Time-dependent 2-stream particle transport
International Nuclear Information System (INIS)
Corngold, Noel
2015-01-01
Highlights: • We consider time-dependent transport in the 2-stream or “rod” model via an attractive matrix formalism. • After reviewing some classical problems in homogeneous media we discuss transport in materials with whose density may vary. • There we achieve a significant contraction of the underlying Telegrapher’s equation. • We conclude with a discussion of stochastics, treated by the “first-order smoothing approximation.” - Abstract: We consider time-dependent transport in the 2-stream or “rod” model via an attractive matrix formalism. After reviewing some classical problems in homogeneous media we discuss transport in materials whose density may vary. There we achieve a significant contraction of the underlying Telegrapher’s equation. We conclude with a discussion of stochastics, treated by the “first-order smoothing approximation.”
Time-dependent scattering in resonance lines
International Nuclear Information System (INIS)
Kunasz, P.B.
1983-01-01
A numerical finite-difference method is presented for the problem of time-dependent line transfer in a finite slab in which material density is sufficiently low that the time of flight between scatterings greatly exceeds the relaxation time of the upper state of the scattering transition. The medium is assumed to scatter photons isotropically, with complete frequency redistribution. Numerical solutions are presented for a homogeneous, time-independent slab illuminated by an externally imposed radiation field which enters the slab at t = 0. Graphical results illustrate relaxation to steady state of trapped internal radiation, emergent energy, and emergent profiles. A review of the literature is also given in which the time-dependent line transfer problem is discussed in the context of recent analytical work
Time dependent policy-based access control
DEFF Research Database (Denmark)
Vasilikos, Panagiotis; Nielson, Flemming; Nielson, Hanne Riis
2017-01-01
also on other attributes of the environment such as the time. In this paper, we use systems of Timed Automata to model distributed systems and we present a logic in which one can express time-dependent policies for access control. We show how a fragment of our logic can be reduced to a logic......Access control policies are essential to determine who is allowed to access data in a system without compromising the data's security. However, applications inside a distributed environment may require those policies to be dependent on the actual content of the data, the flow of information, while...... that current model checkers for Timed Automata such as UPPAAL can handle and we present a translator that performs this reduction. We then use our translator and UPPAAL to enforce time-dependent policy-based access control on an example application from the aerospace industry....
Time-dependent problems and difference methods
Gustafsson, Bertil; Oliger, Joseph
2013-01-01
Praise for the First Edition "". . . fills a considerable gap in the numerical analysis literature by providing a self-contained treatment . . . this is an important work written in a clear style . . . warmly recommended to any graduate student or researcher in the field of the numerical solution of partial differential equations."" -SIAM Review Time-Dependent Problems and Difference Methods, Second Edition continues to provide guidance for the analysis of difference methods for computing approximate solutions to partial differential equations for time-de
Ajay, Jayanth S; Komarova, Ksenia G; Remacle, Francoise; Levine, R D
2018-05-21
Isotopic fractionation in the photodissociation of N 2 could explain the considerable variation in the 14 N/ 15 N ratio in different regions of our galaxy. We previously proposed that such an isotope effect is due to coupling of photoexcited bound valence and Rydberg electronic states in the frequency range where there is strong state mixing. We here identify features of the role of the mass in the dynamics through a time-dependent quantum-mechanical simulation. The photoexcitation of N 2 is by an ultrashort pulse so that the process has a sharply defined origin in time and so that we can monitor the isolated molecule dynamics in time. An ultrafast pulse is necessarily broad in frequency and spans several excited electronic states. Each excited molecule is therefore not in a given electronic state but in a superposition state. A short time after excitation, there is a fairly sharp onset of a mass-dependent large population transfer when wave packets on two different electronic states in the same molecule overlap. This coherent overlap of the wave packets on different electronic states in the region of strong coupling allows an effective transfer of population that is very mass dependent. The extent of the transfer depends on the product of the populations on the two different electronic states and on their relative phase. It is as if two molecules collide but the process occurs within one molecule, a molecule that is simultaneously in both states. An analytical toy model recovers the (strong) mass and energy dependence.
Photodissociation of CS from Excited Rovibrational Levels
Pattillo, R. J.; Cieszewski, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.; McCann, J. F.; McLaughlin, B. M.
2018-05-01
Accurate photodissociation cross sections have been computed for transitions from the X 1Σ+ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X 1Σ+ state and for photon wavelengths ranging from 500 Å to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.
Dissipative time-dependent quantum transport theory.
Zhang, Yu; Yam, Chi Yung; Chen, GuanHua
2013-04-28
A dissipative time-dependent quantum transport theory is developed to treat the transient current through molecular or nanoscopic devices in presence of electron-phonon interaction. The dissipation via phonon is taken into account by introducing a self-energy for the electron-phonon coupling in addition to the self-energy caused by the electrodes. Based on this, a numerical method is proposed. For practical implementation, the lowest order expansion is employed for the weak electron-phonon coupling case and the wide-band limit approximation is adopted for device and electrodes coupling. The corresponding hierarchical equation of motion is derived, which leads to an efficient and accurate time-dependent treatment of inelastic effect on transport for the weak electron-phonon interaction. The resulting method is applied to a one-level model system and a gold wire described by tight-binding model to demonstrate its validity and the importance of electron-phonon interaction for the quantum transport. As it is based on the effective single-electron model, the method can be readily extended to time-dependent density functional theory.
Time-dependent Hartree approximation and time-dependent harmonic oscillator model
International Nuclear Information System (INIS)
Blaizot, J.P.
1982-01-01
We present an analytically soluble model for studying nuclear collective motion within the framework of the time-dependent Hartree (TDH) approximation. The model reduces the TDH equations to the Schroedinger equation of a time-dependent harmonic oscillator. Using canonical transformations and coherent states we derive a few properties of the time-dependent harmonic oscillator which are relevant for applications. We analyse the role of the normal modes in the time evolution of a system governed by TDH equations. We show how these modes couple together due to the anharmonic terms generated by the non-linearity of the theory. (orig.)
International Nuclear Information System (INIS)
Fletcher, J.C.
1978-01-01
Apparatus for the separation and extraction of molecular isotopes is claimed. Molecules of one and the same isotope are preferentially photo-dissociated by a laser and an ultraviolet source, or by multi-photon absorption of laser radiation. The resultant ions are confined with a magnetic field, moved in opposite directions by an electric field, extracted from the photo-dissociation region by means of screening and accelerating grids, and collected in ducts
Time dependent response of equatorial ionospheric electric fieldsto magnetospheric disturbances
Fejer, Bela G.; Scherliess, L.
1995-01-01
We use extensive radar measurements of F region vertical plasma drifts and auroral electrojet indices to determine the storm time dependence of equatorial zonal electric fields. These disturbance drifts result from the prompt penetration of high latitude electric fields and from the dynamo action of storm time winds which produce largest perturbations a few hours after the onset of magnetic activity. The signatures of the equatorial disturbance electric fields change significantly depending o...
Constitutive model with time-dependent deformations
DEFF Research Database (Denmark)
Krogsbøll, Anette
1998-01-01
are common in time as well as size. This problem is adressed by means of a new constitutive model for soils. It is able to describe the behavior of soils at different deformation rates. The model defines time-dependent and stress-related deformations separately. They are related to each other and they occur...... was the difference in time scale between the geological process of deposition (millions of years) and the laboratory measurements of mechanical properties (minutes or hours). In addition, the time scale relevant to the production history of the oil field was interesting (days or years)....
Time dependent variational method in quantum mechanics
International Nuclear Information System (INIS)
Torres del Castillo, G.F.
1987-01-01
Using the fact that the solutions to the time-dependent Schodinger equation can be obtained from a variational principle, by restricting the evolution of the state vector to some surface in the corresponding Hilbert space, approximations to the exact solutions can be obtained, which are determined by equations similar to Hamilton's equations. It is shown that, in order for the approximate evolution to be well defined on a given surface, the imaginary part of the inner product restricted to the surface must be non-singular. (author)
Time-dependent angularly averaged inverse transport
International Nuclear Information System (INIS)
Bal, Guillaume; Jollivet, Alexandre
2009-01-01
This paper concerns the reconstruction of the absorption and scattering parameters in a time-dependent linear transport equation from knowledge of angularly averaged measurements performed at the boundary of a domain of interest. Such measurement settings find applications in medical and geophysical imaging. We show that the absorption coefficient and the spatial component of the scattering coefficient are uniquely determined by such measurements. We obtain stability results on the reconstruction of the absorption and scattering parameters with respect to the measured albedo operator. The stability results are obtained by a precise decomposition of the measurements into components with different singular behavior in the time domain
Time dependent black holes and thermal equilibration
International Nuclear Information System (INIS)
Bak, Dongsu; Gutperle, Michael; Karch, Andreas
2007-01-01
We study aspects of a recently proposed exact time dependent black hole solution of IIB string theory using the AdS/CFT correspondence. The dual field theory is a thermal system in which initially a vacuum density for a non-conserved operator is turned on. We can see that in agreement with general thermal field theory expectation the system equilibrates: the expectation value of the non-conserved operator goes to zero exponentially and the entropy increases. In the field theory the process can be described quantitatively in terms of a thermofield state and exact agreement with the gravity answers is found
UV photodissociation spectroscopy of oxidized undecylenic acid films.
Gomez, Anthony L; Park, Jiho; Walser, Maggie L; Lin, Ao; Nizkorodov, Sergey A
2006-03-16
Oxidation of thin multilayered films of undecylenic (10-undecenoic) acid by gaseous ozone was investigated using a combination of spectroscopic and mass spectrometric techniques. The UV absorption spectrum of the oxidized undecylenic acid film is significantly red-shifted compared to that of the initial film. Photolysis of the oxidized film in the tropospheric actinic region (lambda > 295 nm) readily produces formaldehyde and formic acid as gas-phase products. Photodissociation action spectra of the oxidized film suggest that organic peroxides are responsible for the observed photochemical activity. The presence of peroxides is confirmed by mass-spectrometric analysis of the oxidized sample and an iodometric test. Significant polymerization resulting from secondary reactions of Criegee radicals during ozonolysis of the film is observed. The data strongly imply the importance of photochemistry in aging of atmospheric organic aerosol particles.
Multiphonon generation during photodissociation of slow Landau-Pekar polarons
International Nuclear Information System (INIS)
Myasnikov, E. N.; Myasnikova, A. E.; Mastropas, Z. P.
2006-01-01
The spectra of the low-temperature photodissociation (photoionization) of Landau-Pekar polarons are calculated using the theory of quantum-coherent states and a new method of variation with respect to the parameters of phonon vacuum deformation. It is shown that the final polaron states upon photodissociation may have different numbers of phonons produced in a single dissociation event and different momenta of charge carriers. The spectrum of optical absorption related to the photodissociation of polarons exhibits a superposition of bands corresponding to various numbers of phonons formed as a result of dissociation of a single polaron. Due to a large width of the energy region corresponding to the final states of charge carriers, the halfwidth of each band is on the order of the energy of polaron coupling and is much greater than the phonon energy. For this reason, the individual phonon bands exhibit strong overlap. The very broad and, probably, structureless band formed as a result of the superposition of all these components begins at an energy equal to the sum of the polaron coupling energy (E p ) and the phonon energy. This band has a maximum at a frequency of about 5.6E p /ℎ and a halfwidth on the order of 5.6E p /ℎ at a unit effective mass (m* = m e ) of band electrons. For an effective charge carrier mass within m* = (1-3)m e , the energy of the polaron band maximum can be estimated as 5E p with an error of about 10%, and the halfwidth falls within 3.4E p 1/2 p . The multiphonon character of this band is related to a decay of the phonon condensate after the escape of charge carrier from a polaron. Such polarons are likely to be observed in the spectra of complex metal oxides, including high-temperature superconductors. Examples of such polaron bands in the reported absorption and photoconductivity spectra of nonstoichiometric cuprates, manganites, nickelates, and titanates are presented. A theory of the formation of Landau-Pekar polarons with the
Time-dependent Cooling in Photoionized Plasma
Energy Technology Data Exchange (ETDEWEB)
Gnat, Orly, E-mail: orlyg@phys.huji.ac.il [Racah Institute of Physics, The Hebrew University, Jerusalem 91904 (Israel)
2017-02-01
I explore the thermal evolution and ionization states in gas cooling from an initially hot state in the presence of external photoionizing radiation. I compute the equilibrium and nonequilibrium cooling efficiencies, heating rates, and ion fractions for low-density gas cooling while exposed to the ionizing metagalactic background radiation at various redshifts ( z = 0 − 3), for a range of temperatures (10{sup 8}–10{sup 4} K), densities (10{sup −7}–10{sup 3} cm{sup −3}), and metallicities (10{sup −3}–2 times solar). The results indicate the existence of a threshold ionization parameter, above which the cooling efficiencies are very close to those in photoionization equilibrium (so that departures from equilibrium may be neglected), and below which the cooling efficiencies resemble those in collisional time-dependent gas cooling with no external radiation (and are thus independent of density).
Time-dependent dilatancy for brittle rocks
Directory of Open Access Journals (Sweden)
Jie Li
2017-12-01
Full Text Available This paper presents a theoretical study on time-dependent dilatancy behaviors for brittle rocks. The theory employs a well-accepted postulation that macroscopically observed dilatancy originates from the expansion of microcracks. The mechanism and dynamic process that microcracks initiate from local stress concentration and grow due to localized tensile stress are analyzed. Then, by generalizing the results from the analysis of single cracks, a parameter and associated equations for its evolution are developed to describe the behaviors of the microcracks. In this circumstance, the relationship between microcracking and dilatancy can be established, and the theoretical equations for characterizing the process of rock dilatancy behaviors are derived. Triaxial compression and creep tests are conducted to validate the developed theory. With properly chosen model parameters, the theory yields a satisfactory accuracy in comparison with the experimental results.
Time-dependent nonlinear cosmic ray shocks confirming abstract
International Nuclear Information System (INIS)
Dorfi, E.A.
1985-01-01
Numerical studies of time dependent cosmic ray shock structures in planar geometry are interesting because analytical time-independent solutions are available which include the non-linear reactions on the plasma flow. A feature of these time asymptotic solutions is that for higher Mach numbers (M approximately 5) and for a low cosmic ray upstream pressure the solution is not uniquely determined by the usual conservation laws of mass, momentum and energy. These numerical solutions clearly indicate that much work needs to be done before we understand shock acceleration as a time dependent process. The slowness of the process is possibly due to the fact that there is a diffusive flux into the downstream region in addition to the usual advective losses. Analytic investigations of this phenomenon are required
The Time-Dependent Structure of the Electron Reconnection Layer
Hesse, Michael; Zenitani, Seiji; Kuznetsova, Masha; Klimas, Alex
2009-01-01
Collisionless magnetic reconnection is often associated with time-dependent behavior. Specifically, current layers in the diffusion region can become unstable to tearing-type instabilities on one hand, or to instabilities with current-aligned wave vectors on the other. In the former case, the growth of tearing instabilities typically leads to the production of magnetic islands, which potentially provide feedback on the reconnection process itself, as well as on the rate of reconnection. The second class of instabilities tend to modulate the current layer along the direction of the current flow, for instance generating kink-type perturbations, or smaller-scale turbulence with the potential to broaden the current layer. All of these processes contribute to rendering magnetic reconnection time-dependent. In this presentation, we will provide a summary of these effects, and a discussion of how much they contribute to the overall magnetic reconnection rate.
Time-dependent delayed signatures from energetic photon interrogations
International Nuclear Information System (INIS)
Norman, Daren R.; Jones, James L.; Blackburn, Brandon W.; Haskell, Kevin J.; Johnson, James T.; Watson, Scott M.; Hunt, Alan W.; Spaulding, Randy; Harmon, Frank
2007-01-01
Pulsed photonuclear interrogation environments generated by 8-24 MeV electron linac are rich with time-dependent, material-specific, radiation signatures. Nitrogen-based explosives and nuclear materials can be detected by exploiting these signatures in different delayed-time regions. Numerical and experimental results presented in this paper show the unique time and energy dependence of these signatures. It is shown that appropriate delayed-time windows are essential to acquire material-specific signatures in pulsed photonuclear assessment environments. These developments demonstrate that pulsed, high-energy, photon-inspection environments can be exploited for time-dependent, material-specific signatures through the proper operation of specialized detectors and detection methods
Cosmologies with a time dependent vacuum
International Nuclear Information System (INIS)
Sola, Joan
2011-01-01
The idea that the cosmological term Λ should be a time dependent quantity in cosmology is a most natural one. It is difficult to conceive an expanding universe with a strictly constant vacuum energy density, ρ Λ = Λ/(8π G), namely one that has remained immutable since the origin of time. A smoothly evolving vacuum energy density ρ Λ = ρ Λ (ξ(t)) that inherits its time-dependence from cosmological functions ξ = ξ(t), such as the Hubble rate H(t) or the scale factor a(t), is not only a qualitatively more plausible and intuitive idea, but is also suggested by fundamental physics, in particular by quantum field theory (QFT) in curved space-time. To implement this notion, is not strictly necessary to resort to ad hoc scalar fields, as usually done in the literature (e.g. in quintessence formulations and the like). A 'running' Λ term can be expected on very similar grounds as one expects (and observes) the running of couplings and masses with a physical energy scale in QFT. Furthermore, the experimental evidence that the equation of state (EOS) of the dark energy (DE) could be evolving with time/redshift (including the possibility that it might currently behave phantom-like) suggests that a time-variable Λ = Λ(t) term (possibly accompanied by a variable Newton's gravitational coupling too, G = G(t)) could account in a natural way for all these features. Remarkably enough, a class of these models (the 'new cosmon') could even be the clue for solving the old cosmological constant problem, including the coincidence problem.
THE PHOTODISSOCIATION OF FORMALDEHYDE IN COMETS
Energy Technology Data Exchange (ETDEWEB)
Feldman, Paul D., E-mail: pfeldman@jhu.edu [Department of Physics and Astronomy, The Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD 21218 (United States)
2015-10-20
Observations of comets in the 905–1180 Å spectral band made with the Far Ultraviolet Spectroscopic Explorer in 2001 and 2004 show unusual features in the fluorescent emissions of CO and H{sub 2}. These include emission from a non-thermal high-J rotational population of CO and solar Lyα induced fluorescence from excited vibrational levels of H{sub 2}, both of which are attributed to the photodissociation of formaldehyde. In this paper we model the large number of observed H{sub 2} lines and demonstrate the dependence of the pumping on the heliocentric velocity of the comet and the solar line profiles. We also derive the rotational and vibrational populations of H{sub 2} and show that they are consistent with the results of laboratory studies of the photodissociation of H{sub 2}CO. In addition to the principal series of H i and O i, the residual spectrum is found to consist mainly of the Rydberg series of C i multiplets from which we derive the mean carbon column abundance in the coma. Fluorescent emissions from N i and N{sub 2} are also searched for.
Time-Dependent Variations of Accretion Disk
Directory of Open Access Journals (Sweden)
Hye-Weon Na
1987-06-01
Full Text Available In dward nova we assume the primary star as a white dwarf and the secondary as the late type star which filled Roche lobe. Mass flow from the secondary star leads to the formation of thin accretion disk around the white dwarf. We use the α parameter as viscosity to maintain the disk form and propose that the outburst in dwarf nova cause the steep increase of source term. With these assumptions we solve the basic equations of stellar structure using Newton-Raphson method. We show the physical parameters like temperature, density, pressure, opacity, surface density, height and flux to the radius of disk. Changing the value of α, we compare several parameters when mass flow rate is constant with those of when luminosity of disk is brightest. At the same time, we obtain time-dependent variations of luminosity and mass of disk. We propose the suitable range of α is 0.15-0.18 to the difference of luminosity. We compare several parameters of disk with those of the normal late type stars which have the same molecular weight of disk is lower. Maybe the outburst in dwarf nova is due to the variation of the α value instead of increment of mass flow from the secondary star.
Time dependent mean-field games
Gomes, Diogo A.
2014-01-06
We consider time dependent mean-field games (MFG) with a local power-like dependence on the measure and Hamiltonians satisfying both sub and superquadratic growth conditions. We establish existence of smooth solutions under a certain set of conditions depending both on the growth of the Hamiltonian as well as on the dimension. In the subquadratic case this is done by combining a Gagliardo-Nirenberg type of argument with a new class of polynomial estimates for solutions of the Fokker-Planck equation in terms of LrLp- norms of DpH. These techniques do not apply to the superquadratic case. In this setting we recur to a delicate argument that combines the non-linear adjoint method with polynomial estimates for solutions of the Fokker-Planck equation in terms of L1L1-norms of DpH. Concerning the subquadratic case, we substantially improve and extend the results previously obtained. Furthermore, to the best of our knowledge, the superquadratic case has not been addressed in the literature yet. In fact, it is likely that our estimates may also add to the current understanding of Hamilton-Jacobi equations with superquadratic Hamiltonians.
Time-dependent EQPET analysis of TSC
International Nuclear Information System (INIS)
Takahashi, Akito
2006-01-01
Time-dependent fusion rates for 2D and 4D reactions are calculated for squeezing of tetrahedral symmetric condensate (TSC) from about 100 pm size to its minimum size (about 10 fm), within about 75 fs squeezing motion. Life time of the minimum TSC state is yet to be studied. Time-averaged fusion rates are given by assuming the life time of minimum TSC state is negligible. Time-averaged 2D fusion rate was given as 2.9x10 -25 f/s/pair, and time-averaged 4D fusion rate was 5.5x10 -8 f/s/cl. These values are compared with 1.0x10 -20 f/s/pair for 2D and 1.0x10 -9 f/s/cl for 4D, respectively, of previously estimated values by electronic quasi-particle expansion theory/TSC models. Effective fusion time by the TSC squeezing motion was estimated as 0.014 fs: namely fusions may happen in very short time interval. (author)
Deformation aspects of time dependent fracture
International Nuclear Information System (INIS)
Li, C.Y.; Turner, A.P.L.; Diercks, D.R.; Laird, C.; Langdon, T.G.; Nix, W.D.; Swindeman, R.; Wolfer, W.G.; Woodford, D.A.
1979-01-01
For all metallic materials, particularly at elevated temperatures, deformation plays an important role in fracture. On the macro-continuum level, the inelastic deformation behavior of the material determines how stress is distributed in the body and thus determines the driving force for fracture. At the micro-continuum level, inelastic deformation alters the elastic stress singularity at the crack tip and so determines the local environment in which crack advance takes place. At the microscopic and mechanistic level, there are many possibilities for the mechanisms of deformation to be related to those for crack initiation and growth. At elevated temperatures, inelastic deformation in metallic systems is time dependent so that the distribution of stress in a body will vary with time, affecting conditions for crack initiation and propagation. Creep deformation can reduce the tendency for fracture by relaxing the stresses at geometric stress concentrations. It can also, under suitable constraints, cause a concentration of stresses at specific loading points as a result of relaxation elsewhere in the body. A combination of deformation and unequal heating, as in welding, can generate large residual stress which cannot be predicted from the external loads on the body. Acceleration of deformation by raising the temperature can be an effective way to relieve such residual stresses
System reliability time-dependent models
International Nuclear Information System (INIS)
Debernardo, H.D.
1991-06-01
A probabilistic methodology for safety system technical specification evaluation was developed. The method for Surveillance Test Interval (S.T.I.) evaluation basically means an optimization of S.T.I. of most important system's periodically tested components. For Allowed Outage Time (A.O.T.) calculations, the method uses system reliability time-dependent models (A computer code called FRANTIC III). A new approximation, which was called Independent Minimal Cut Sets (A.C.I.), to compute system unavailability was also developed. This approximation is better than Rare Event Approximation (A.E.R.) and the extra computing cost is neglectible. A.C.I. was joined to FRANTIC III to replace A.E.R. on future applications. The case study evaluations verified that this methodology provides a useful probabilistic assessment of surveillance test intervals and allowed outage times for many plant components. The studied system is a typical configuration of nuclear power plant safety systems (two of three logic). Because of the good results, these procedures will be used by the Argentine nuclear regulatory authorities in evaluation of technical specification of Atucha I and Embalse nuclear power plant safety systems. (Author) [es
Time-dependent correlations in electricity markets
International Nuclear Information System (INIS)
Alvarez-Ramirez, Jose; Escarela-Perez, Rafael
2010-01-01
In the last years, many electricity markets were subjected to deregulated operation where prices are set by the action of market participants. In this form, producers and consumers rely on demand and price forecasts to decide their bidding strategies, allocate assets, negotiate bilateral contracts, hedge risks, and plan facility investments. A basic feature of efficient market hypothesis is the absence of correlations between price increments over any time scale leading to random walk-type behavior of prices, so arbitrage is not possible. However, recent studies have suggested that this is not the case and correlations are present in the behavior of diverse electricity markets. In this paper, a temporal quantification of electricity market correlations is made by means of detrended fluctuation and Allan analyses. The approach is applied to two Canadian electricity markets, Ontario and Alberta. The results show the existence of correlations in both demand and prices, exhibiting complex time-dependent behavior with lower correlations in winter while higher in summer. Relatively steady annual cycles in demand but unstable cycles in prices are detected. On the other hand, the more significant nonlinear effects (measured in terms of a multifractality index) are found for winter months, while the converse behavior is displayed during the summer period. In terms of forecasting models, our results suggest that nonlinear recursive models (e.g., feedback NNs) should be used for accurate day-ahead price estimation. In contrast, linear models can suffice for demand forecasting purposes. (author)
Time-dependent radioactivity distribution in MAFF
International Nuclear Information System (INIS)
Nebel, F.; Zech, E.; Faestermann, T.; Kruecken, R.; Maier-Komor, P.; Assmann, W.; Szerypo, J.; Gross, M.; Kester, O.; Thirolf, P.G.; Groetzschel, R.
2006-01-01
The Munich Accelerator for Fission Fragments is planned to be installed at the FRM II in Garching. It will operate a uranium-carbide-loaded graphite matrix as a target for neutron-induced fission. The radioactive reaction fragments leave the ion source as both, atoms and ions. For radiation safety it is imperative to have a basic understanding of the fragment distribution within the beam line. Atoms leaving the graphite matrix will spread like a gas and stick to surfaces depending on their species. A probabilistic Monte-Carlo approach is used to predict the surface coating of internal surfaces of the beam line for all fission nuclides. To decrease calculation time, the problem is reduced to two dimensions with the surface areas being a measure for the probability, that they are hit by a particle. The program is completely time dependent to implement radioactive decay. Ions leaving the fission ion source are transported by electrostatic means towards the mass pre-separator, a low-resolution dipole magnet with a complex slit system in the focal plane. All unwanted ions are stopped at the slits, resulting in a high level of radioactive contamination. While it is advantageous for shielding purposes to have the majority of the contamination in one point, precautions must be taken to ensure that it stays that way. Material corrosion caused by sputtering will release previously implanted radionuclides. To reduce this effect, different methods are under investigation, one of which is changing the slit geometry. The considered designs will be described and experimental results will be shown
Photo-dissociation of hydrogen passivated dopants in gallium arsenide
International Nuclear Information System (INIS)
Tong, L.; Larsson, J.A.; Nolan, M.; Murtagh, M.; Greer, J.C.; Barbe, M.; Bailly, F.; Chevallier, J.; Silvestre, F.S.; Loridant-Bernard, D.; Constant, E.; Constant, F.M.
2002-01-01
A theoretical and experimental study of the photo-dissociation mechanisms of hydrogen passivated n- and p-type dopants in gallium arsenide is presented. The photo-induced dissociation of the Si Ga -H complex has been observed for relatively low photon energies (3.48 eV), whereas the photo-dissociation of C As -H is not observed for photon energies up to 5.58 eV. This fundamental difference in the photo-dissociation behavior between the two dopants is explained in terms of the localized excitation energies about the Si-H and C-H bonds
TIME-DEPENDENT COROTATION RESONANCE IN BARRED GALAXIES
Energy Technology Data Exchange (ETDEWEB)
Wu, Yu-Ting; Taam, Ronald E. [Institute of Astronomy and Astrophysics, Academia Sinica, Taipei 10617, Taiwan (China); Pfenniger, Daniel, E-mail: ytwu@asiaa.sinica.edu.tw, E-mail: daniel.pfenniger@unige.ch, E-mail: taam@asiaa.sinica.edu.tw [Geneva Observatory, University of Geneva, CH-1290 Sauverny (Switzerland)
2016-10-20
The effective potential neighboring the corotation resonance region in barred galaxies is shown to be strongly time-dependent in any rotating frame, due to the competition of nearby perturbations of similar strengths with differing rotation speeds. Contrary to the generally adopted assumption that in the bar rotating frame the corotation region should possess four stationary equilibrium points (Lagrange points), with high quality N -body simulations, we localize the instantaneous equilibrium points (EPs) and find that they circulate or oscillate broadly in azimuth with respect to the pattern speeds of the inner or outer perturbations. This implies that at the particle level the Jacobi integral is not well conserved around the corotation radius. That is, angular momentum exchanges decouple from energy exchanges, enhancing the chaotic diffusion of stars through the corotation region.
Photodissociation and excitation of interstellar molecules
International Nuclear Information System (INIS)
Dishoeck, E.F. van.
1984-01-01
Apart from a rather long introduction containing some elementary astrophysics, quantum chemistry and spectroscopy and an incomplete, historical review of molecular observations, this thesis is divided into three sections. In part A, a rigorous quantum chemical and dynamical study is made of the photodissociation processes in the OH and HCl molecules. In part B, the cross sections obtained in part A are used in various astrophysical problems such as the study of the abundances of the OH and HCl molecules in interstellar clouds, the use of the OH abundance as a measure of the cosmic ray ionization rate, the lifetime of the OH radical in comets and the abundance of OH in the solar photosphere. Part C discusses the excitation of the C 2 molecule under interstellar conditions, its use as a diagnostic probe of the temperature, density and strength of the radiation field in interstellar clouds. Quadrupole moments and oscillator strengths are analyzed. (Auth.)
Photodissociation of spatially aligned acetaldehyde cations.
Lee, Suk Kyoung; Silva, Ruchira; Kim, Myung Hwa; Shen, Lei; Suits, Arthur G
2007-07-26
Photofragment translational energy and angular distributions are reported for the photodissociation of acetaldehyde cations in the wavelength range 354-363 nm obtained using the DC slice ion imaging technique. Vibrationally selected parent ions were produced by 2+1 resonance-enhanced multiphoton ionization (REMPI) via the 3sCH3CO+, and CH4+. The angular distributions reveal that all product channels have a predominantly parallel recoil anisotropy although the lower beta2 parameter of CH3CO+ indicates the concomitant presence of a perpendicular component. Furthermore, the distinct angular distribution of the CH3CO+ fragments shows a large value of the higher order Legendre polynomial term, providing evidence that acetaldehyde cations are spatially aligned during the ionization process.
Photodissociation spectroscopy of NbnArm complexes
International Nuclear Information System (INIS)
Menezes, W.J.C.; Knickelbein, M.B.
1993-01-01
The optical absorption spectra of niobium clusters containing 7 to 20 atoms have been measured from 336 to 634 nm by way of photodissociation action spectroscopy of the corresponding van der Waals complexes with argon atoms: Nb n Ar m → hν Nb n + m Ar. The clusters in this size range do not display discrete absorption bands characteristic of molecular behavior, but rather absorption cross sections which increase monotonically with decreasing wavelength. This behavior is in qualitative accord with the absorption behavior predicted by the spherical Mie model for small niobium spheres, however, the measured cross sections are 2--5 times larger than predicted over this wavelength range, with the smallest clusters displaying the largest deviations. Interpreted within the classical electrodynamic framework, these observations suggest that the absorption spectra derive oscillator strength from an incipient surface plasmon, redshifted from its predicted resonance frequency in the vacuum ultraviolet
International Nuclear Information System (INIS)
Gay, C. D.; Porter, R. L.; Stancil, P. C.; Abel, N. P.; Ferland, G. J.; Shaw, G.; Van Hoof, P. A. M.; Williams, R. J. R.
2012-01-01
Using ab initio potential curves and dipole transition moments, cross-section calculations were performed for the direct continuum photodissociation of H 2 through the B 1 Σ + u 1 Σ + g (Lyman) and C 1 Π u 1 Σ + g (Werner) transitions. Partial cross-sections were obtained for wavelengths from 100 Å to the dissociation threshold between the upper electronic state and each of the 301 bound rovibrational levels v''J'' within the ground electronic state. The resulting cross-sections are incorporated into three representative classes of interstellar gas models: diffuse clouds, photon-dominated regions, and X-ray-dominated regions (XDRs). The models, which used the CLOUDY plasma/molecular spectra simulation code, demonstrate that direct photodissociation is comparable to fluorescent dissociation (or spontaneous radiative dissociation, the Solomon process) as an H 2 destruction mechanism in intense far-ultraviolet or X-ray-irradiated gas. In particular, changes in H 2 rotational column densities are found to be as large as 20% in the XDR model with the inclusion of direct photodissociation. The photodestruction rate from some high-lying rovibrational levels can be enhanced by pumping from H Lyβ due to a wavelength coincidence with cross-section resonances resulting from quasi-bound levels of the upper electronic states. Given the relatively large size of the photodissociation data set, a strategy is described to create truncated, but reliable, cross-section data consistent with the wavelength resolving power of typical observations.
International Nuclear Information System (INIS)
Lebedev, V S; Presnyakov, L P
2002-01-01
An analytical approach for the description of photoabsorption by a gas or plasma medium containing atomic and molecular components in thermodynamic equilibrium is developed. Continuous absorption of radiation is due to the photodissociation of a diatomic molecule from a manifold of excited rovibrational states and free-free transitions between the two electronic terms of a quasimolecule temporarily formed during a collision of atomic particles. The formulae are obtained for individual photodissociation cross sections from a given rovibrational state and for the Boltzmann-averaged cross section. Particular attention is paid to the derivation of a general analytical expression for the total absorption coefficient including the integral contribution of bound-free and free-free radiative transitions. The consideration is based on the theory of nonadiabatic transitions combined with the approximation of a quasicontinuum for rovibrational states. The theory is applied to the investigation of photoabsorption by the H 2 + ion in the IR, visible and UV spectral regions. It is shown that our results are in good agreement with available ab initio quantal calculations of photodissociation cross sections and with semiclassical calculations of absorption coefficients. Special attention is paid to the investigation of the relative contributions of the H 2 + and H - ions to the total absorption in a wide range of wavelengths and temperatures
Schmidt, J A; Olsen, J M H
2014-11-14
The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2(1)A' (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1(1)A″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO.
International Nuclear Information System (INIS)
Schmidt, J. A.; Olsen, J. M. H.
2014-01-01
The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2 1 A ′ (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1 1 A ″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO
Photodissociation of the OD radical at 226 and 243 nm
International Nuclear Information System (INIS)
Radenovic, Dragana C.; Roij, Andre J.A. van; Chestakov, Dmitri A.; Eppink, Andre T.J.B.; Meulen, J.J. ter; Parker, David H.; Loo, Mark P.J. van der; Groenenboom, Gerrit C.; Greenslade, Margaret E.; Lester, Marsha I.
2003-01-01
The photodissociation dynamics of state selected OD radicals has been examined at 243 and 226 nm using velocity map imaging to probe the angle-speed distributions of the D( 2 S) and O( 3 P 2 ) products. Both experiment and complementary first principle calculations demonstrate that photodissociation occurs by promotion of OD from high vibrational levels of the ground X 2 Π state to the repulsive 1 2 Σ - state
Time-dependent perturbation theory for nonequilibrium lattice models
International Nuclear Information System (INIS)
Jensen, I.; Dickman, R.
1993-01-01
The authors develop a time-dependent perturbation theory for nonequilibrium interacting particle systems. They focus on models such as the contact process which evolve via destruction and autocatalytic creation of particles. At a critical value of the destruction rate there is a continuous phase transition between an active steady state and the vacuum state, which is absorbing. They present several methods for deriving series for the evolution starting from a single seed particle, including expansions for the ultimate survival probability in the super- and subcritical regions, expansions for the average number of particles in the subcritical region, and short-time expansions. Algorithms for computer generation of the various expansions are presented. Rather long series (24 terms or more) and precise estimates of critical parameters are presented. 45 refs., 4 figs., 9 tabs
The Electromagnetic Field of Elementary Time-Dependent Toroidal Sources
International Nuclear Information System (INIS)
Afanas'ev, G.N.; Stepanovskij, Yu.P.
1994-01-01
The radiation field of toroidal-like time-dependent current configurations is investigated. Time-dependent charge-current sources are found outside which the electromagnetic strengths disappear but the potentials survive. This can be used to carry out time-dependent Aharonov-Bohm-like experiments and the information transfer. Using the Neumann-Helmholtz parametrization of the current density we present the time-dependent electromagnetic field in a form convenient for applications. 17 refs
Three-dimensional photodissociation in strong laser fields: Memory-kernel effective-mode expansion
International Nuclear Information System (INIS)
Li Xuan; Thanopulos, Ioannis; Shapiro, Moshe
2011-01-01
We introduce a method for the efficient computation of non-Markovian quantum dynamics for strong (and time-dependent) system-bath interactions. The past history of the system dynamics is incorporated by expanding the memory kernel in exponential functions thereby transforming in an exact fashion the non-Markovian integrodifferential equations into a (larger) set of ''effective modes'' differential equations (EMDE). We have devised a method which easily diagonalizes the EMDE, thereby allowing for the efficient construction of an adiabatic basis and the fast propagation of the EMDE in time. We have applied this method to three-dimensional photodissociation of the H 2 + molecule by strong laser fields. Our calculations properly include resonance-Raman scattering via the continuum, resulting in extensive rotational and vibrational excitations. The calculated final kinetic and angular distribution of the photofragments are in overall excellent agreement with experiments, both when transform-limited pulses and when chirped pulses are used.
Time-dependent problems in quantum-mechanical state reconstruction
International Nuclear Information System (INIS)
Leonhardt, U.; Bardroff, P. J.
1997-01-01
We study the state reconstruction of wave packets that travel in time-dependent potentials. We solve the problem for explicitly time-dependent potentials. We solve the problem for explicitly time-dependent harmonic oscillators and sketch a general adaptive technique for finding the wave function that matches and observed evolution. (authors)
Time-dependent patterns in quasivertical cylindrical binary convection
Alonso, Arantxa; Mercader, Isabel; Batiste, Oriol
2018-02-01
This paper reports on numerical investigations of the effect of a slight inclination α on pattern formation in a shallow vertical cylindrical cell heated from below for binary mixtures with a positive value of the Soret coefficient. By using direct numerical simulation of the three-dimensional Boussinesq equations with Soret effect in cylindrical geometry, we show that a slight inclination of the cell in the range α ≈0.036 rad =2∘ strongly influences pattern selection. The large-scale shear flow (LSSF) induced by the small tilt of gravity overcomes the squarelike arrangements observed in noninclined cylinders in the Soret regime, stratifies the fluid along the direction of inclination, and produces an enhanced separation of the two components of the mixture. The competition between shear effects and horizontal and vertical buoyancy alters significantly the dynamics observed in noninclined convection. Additional unexpected time-dependent patterns coexist with the basic LSSF. We focus on an unsual periodic state recently discovered in an experiment, the so-called superhighway convection state (SHC), in which ascending and descending regions of fluid move in opposite directions. We provide numerical confirmation that Boussinesq Navier-Stokes equations with standard boundary conditions contain the essential ingredients that allow for the existence of such a state. Also, we obtain a persistent heteroclinic structure where regular oscillations between a SHC pattern and a state of nearly stationary longitudinal rolls take place. We characterize numerically these time-dependent patterns and investigate the dynamics around the threshold of convection.
Theoretical study of ultraviolet induced photodissociation dynamics of sulfuric acid
Energy Technology Data Exchange (ETDEWEB)
Murakami, Tatsuhiro; Ohta, Ayumi; Suzuki, Tomoya; Ikeda, Kumiko [Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, 7-1 Kioi-Cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Danielache, Sebastian O. [Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, 7-1 Kioi-Cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Earth-Life Science Institute (ELSI), Tokyo Institute of Technology (Japan); Department of Environmental Science and Techonology, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Yoohama 226-8502 (Japan); Nanbu, Shinkoh, E-mail: shinkoh.nanbu@sophia.ac.jp [Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, 7-1 Kioi-Cho, Chiyoda-ku, Tokyo 102-8554 (Japan)
2015-05-01
Highlights: • Photodissociation dynamics of H{sub 2}SO{sub 4} at low-lying electronically excited states were investigated. • Photochemical processes were simulated by on-the-fly ab initio MD. • Sulfuric acid after the excitation to the S{sub 1} state dissociated to HSO{sub 4}(1{sup 2}A″) + H({sup 2}S). • Sulfuric acid after the excitation to the S{sub 2} state dissociated to HSO{sub 4}(2{sup 2}A″) + H({sup 2}S). • The energy region of the UV spectra where NMD fractionation may occur is predicted. - Abstract: Photodissociation dynamics of sulfuric acid after excitation to the first and second excited states (S{sub 1} and S{sub 2}) were studied by an on-the-fly ab initio molecular dynamics simulations based on the Zhu–Nakamura version of the trajectory surface hopping (ZN-TSH). Forces acting on the nuclear motion were computed on-the-fly by CASSCF method with Dunning’s augmented cc-pVDZ basis set. It was newly found that the parent molecule dissociated into two reaction-channels (i) HSO{sub 4}(1{sup 2}A″) + H({sup 2}S) by S{sub 1}-excitation, and (ii) HSO{sub 4}(2{sup 2}A″) + H({sup 2}S) by S{sub 2}-excitation. The direct dissociation dynamics yield products different from the SO{sub 2} + 2OH fragments often presented in the literature. Both channels result in the same product and differs only in the electronic state of the HSO{sub 4} fragment{sub .} The trajectories running on S{sub 2} do not hop with S{sub 0} and a nonadiabatic transition happens at the S{sub 2}–S{sub 1} conical intersection located at a longer OH bond-length than the S{sub 1}–S{sub 0} intersection producing an electronic excited state (2{sup 2}A″) of HSO{sub 4} product.
DC slice ion imaging study of atomic orbital orientation and alignment in photodissociation
Lee, Suk Kyoung
A complete study of atomic photofragment polarization has been achieved by using DC slice imaging, a recently developed approach directly providing the central slice of the full 3D product distribution without any mathematical transformation. In this dissertation, the quantum mechanical treatment adapted for the sliced images has been derived to extract the angular momentum polarization anisotropy parameters for any recoil speeds. The important photodissociation dynamics of small polyatomic molecules has been presented based on the thorough interpretation of the observed orientation and alignment. The first demonstration of DC slice imaging of orbital polarization was a study of the 193 nm photodissociation of ethylene sulfide, followed by detailed investigation in ozone and OCS. In ozone, the speed-dependent orientation was measured for O(1D2) atom produced from photodissociation in the 248--285 nm region. The results show negligible orbital orientation following dissociation by circularly polarized light but strong recoil speed-dependent orientation following photolysis by linearly polarized light at all wavelengths studied. The origin of this polarization is ascribed to nonadiabatic transitions at avoided crossings and at long range. The atomic orbital alignment and orientation, including the higher order moments (K = 3, 4), has been carried out for the photodissociation of OCS at 193 nm. The observed speed-dependent beta and polarization parameters of S(1D2) atom support the interpretation that there are two main dissociation processes: a simultaneous two-surface excitation and the initial single-surface excitation followed by the nonadiabatic crossing to the ground state. The angle- and speed-dependent density matrix can be constructed containing the higher order contributions for circularly-polarized dissociation light. It was shown in one case that the higher order contributions should not be overlooked for an accurate picture of the dissociation dynamics in
A Solution of Time Dependent Schrodinger Equation by Quantum Walk
International Nuclear Information System (INIS)
Sekino, Hideo; Kawahata, Masayuki; Hamada, Shinji
2012-01-01
Time Dependent Schroedinger Equation (TDSE) with an initial Gaussian distribution, is solved by a discrete time/space Quantum Walk (QW) representing consecutive operations corresponding to a dot product of Pauli matrix and momentum operators. We call it as Schroedinger Walk (SW). Though an Hadamard Walk (HW) provides same dynamics of the probability distribution for delta-function-like initial distributions as that of the SW with a delta-function-like initial distribution, the former with a Gaussian initial distribution leads to a solution for advection of the probability distribution; the initial distribution splits into two distinctive distributions moving in opposite directions. Both mechanisms are analysed by investigating the evolution of the both amplitude components. Decoherence of the oscillating amplitudes in central region is found to be responsible for the splitting of the probability distribution in the HW.
Time-dependent transport in interacting and noninteracting resonant-tunneling systems
DEFF Research Database (Denmark)
Jauho, Antti-Pekka; Wingreen, Ned S.; Meir, Yigal
1994-01-01
noninteracting resonant-tunneling system are presented. Due to the coherence between the leads and the resonant site, the current does not follow the driving signal adiabatically: a ''ringing'' current is found as a response to a voltage pulse, and a complex time dependence results in the case of harmonic......We consider a mesoscopic region coupled to two leads under the influence of external time-dependent voltages. The time dependence is coupled to source and drain contacts, the gates controlling the tunnel-barrier heights, or to the gates that define the mesoscopic region. We derive, with the Keldysh...... nonequilibrium-Green-function technique, a formal expression for the fully nonlinear, time-dependent current through the system. The analysis admits arbitrary interactions in the mesoscopic region, but the leads are treated as noninteracting. For proportionate coupling to the leads, the time-averaged current...
Implicit time-dependent finite different algorithm for quench simulation
International Nuclear Information System (INIS)
Koizumi, Norikiyo; Takahashi, Yoshikazu; Tsuji, Hiroshi
1994-12-01
A magnet in a fusion machine has many difficulties in its application because of requirement of a large operating current, high operating field and high breakdown voltage. A cable-in-conduit (CIC) conductor is the best candidate to overcome these difficulties. However, there remained uncertainty in a quench event in the cable-in-conduit conductor because of a difficulty to analyze a fluid dynamics equation. Several scientists, then, developed the numerical code for the quench simulation. However, most of them were based on an explicit time-dependent finite difference scheme. In this scheme, a discrete time increment is strictly restricted by CFL (Courant-Friedrichs-Lewy) condition. Therefore, long CPU time was consumed for the quench simulation. Authors, then, developed a new quench simulation code, POCHI1, which is based on an implicit time dependent scheme. In POCHI1, the fluid dynamics equation is linearlized according to a procedure applied by Beam and Warming and then, a tridiagonal system can be offered. Therefore, no iteration is necessary to solve the fluid dynamics equation. This leads great reduction of the CPU time. Also, POCHI1 can cope with non-linear boundary condition. In this study, comparison with experimental results was carried out. The normal zone propagation behavior was investigated in two samples of CIC conductors which had different hydraulic diameters. The measured and simulated normal zone propagation length showed relatively good agreement. However, the behavior of the normal voltage shows a little disagreement. These results indicate necessity to improve the treatment of the heat transfer coefficient in the turbulent flow region and the electric resistivity of the copper stabilizer in high temperature and high field region. (author)
Fast beam studies of free radical photodissociation
Energy Technology Data Exchange (ETDEWEB)
Cyr, Douglas Robert [Univ. of California, Berkeley, CA (United States)
1993-11-01
The photodissociation of free radicals is studied in order to characterize the spectroscopy and dissociation dynamics of the dissociative electronic states in these species. To accomplish this, a novel method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with a highly complementary form of photofragment translational spectroscopy. The optical spectroscopy of transitions to dissociative states is determined by monitoring the total photofragment yield as a function of dissociation photon energy. Branching ratios to various product channels, internal energy distributions of the fragments, bond dissociation energies, and the translational energy-dependent photofragment recoil angular distributions are then determined at selected excitation energies. A detailed picture of the dissociation dynamics can then be formulated, allowing insight concerning the interactions of potential energy surfaces involved in the dissociation. After an introduction to the concepts and techniques mentioned above, the experimental apparatus used in these experiments is described in detail. The basis and methods used in the treatment of data, especially in the dissociation dynamics experiments, are then put forward.
Fast beam studies of free radical photodissociation
International Nuclear Information System (INIS)
Cyr, D.R.; California Univ., Berkeley, CA
1993-11-01
The photodissociation of free radicals is studied in order to characterize the spectroscopy and dissociation dynamics of the dissociative electronic states in these species. To accomplish this, a novel method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with a highly complementary form of photofragment translational spectroscopy. The optical spectroscopy of transitions to dissociative states is determined by monitoring the total photofragment yield as a function of dissociation photon energy. Branching ratios to various product channels, internal energy distributions of the fragments, bond dissociation energies, and the translational energy-dependent photofragment recoil angular distributions are then determined at selected excitation energies. A detailed picture of the dissociation dynamics can then be formulated, allowing insight concerning the interactions of potential energy surfaces involved in the dissociation. After an introduction to the concepts and techniques mentioned above, the experimental apparatus used in these experiments is described in detail. The basis and methods used in the treatment of data, especially in the dissociation dynamics experiments, are then put forward
Study of photodissociation parameters of carboxyhemoglobin
International Nuclear Information System (INIS)
Kuz'min, V V; Salmin, V V; Provorov, A S; Salmina, A B
2008-01-01
The general properties of photodissociation of carboxyhemoglobin (HbCO) in buffer solutions of whole human blood are studied by the flash photolysis method on a setup with intersecting beams. It is shown that the efficiency of photoinduced dissociation of the HbCO complex virtually linearly depends on the photolytic irradiation intensity for the average power density not exceeding 45 mW cm -2 . The general dissociation of the HbCO complex in native conditions occurs in a narrower range of values of the saturation degree than in model experiments with the hemoglobin solution. The dependence of the pulse photolysis efficiency of HbCO on the photolytic radiation wavelength in the range from 550 to 585 nm has a broad bell shape. The efficiency maximum corresponds to the electronic Q transition (porphyrin π-π* absorption) in HbCO at a wavelength of 570 nm. No dissociation of the complex was observed under given experimental conditions upon irradiation of solutions by photolytic radiation at wavelengths above 585 nm. (laser applications and other topics in quantum electronics)
Wave Functions for Time-Dependent Dirac Equation under GUP
Zhang, Meng-Yao; Long, Chao-Yun; Long, Zheng-Wen
2018-04-01
In this work, the time-dependent Dirac equation is investigated under generalized uncertainty principle (GUP) framework. It is possible to construct the exact solutions of Dirac equation when the time-dependent potentials satisfied the proper conditions. In (1+1) dimensions, the analytical wave functions of the Dirac equation under GUP have been obtained for the two kinds time-dependent potentials. Supported by the National Natural Science Foundation of China under Grant No. 11565009
Prospects for time-dependent asymmetries at LHCb
INSPIRE-00260500
2012-01-01
LHCb is already providing leading measurements of time-dependent CP asymmetries with 1 fb$^{-1}$ of data. With the LHCb detector, and further one with the LHCb upgrade, very high-precision time-dependent CP measurements are expected to stringently test the CKM paradigm and to the search for possible small NP effects. A review of the current precision and the prospects for these time-dependent quantities with the LHCb and LHCb upgraded detectors are summarised in this paper.
Introduction to numerical methods for time dependent differential equations
Kreiss, Heinz-Otto
2014-01-01
Introduces both the fundamentals of time dependent differential equations and their numerical solutions Introduction to Numerical Methods for Time Dependent Differential Equations delves into the underlying mathematical theory needed to solve time dependent differential equations numerically. Written as a self-contained introduction, the book is divided into two parts to emphasize both ordinary differential equations (ODEs) and partial differential equations (PDEs). Beginning with ODEs and their approximations, the authors provide a crucial presentation of fundamental notions, such as the t
On the time-dependent Aharonov–Bohm effect
Directory of Open Access Journals (Sweden)
Jian Jing
2017-11-01
Full Text Available The Aharonov–Bohm effect in the background of a time-dependent vector potential is re-examined for both non-relativistic and relativistic cases. Based on the solutions to the Schrodinger and Dirac equations which contain the time-dependent magnetic vector potential, we find that contrary to the conclusions in a recent paper (Singleton and Vagenas 2013 [4], the interference pattern will be altered with respect to time because of the time-dependent vector potential.
Photodissociation dynamics and spectroscopy of free radical combustion intermediates
Energy Technology Data Exchange (ETDEWEB)
Osborn, David Lewis [Univ. of California, Berkeley, CA (United States)
1996-12-01
The photodissociation spectroscopy and dynamics of free radicals is studied by the technique of fast beam photofragment translational spectroscopy. Photodetachment of internally cold, mass-selected negative ions produces a clean source of radicals, which are subsequently dissociated and detected. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states of the radical. In addition, the photodissociation dynamics, product branching ratios, and bond energies are probed at fixed photon energies by measuring the translational energy, P(E_{T}), and angular distribution of the recoiling fragments using a time- and position-sensitive detector. Ab initio calculations are combined with dynamical and statistical models to interpret the observed data. The photodissociation of three prototypical hydrocarbon combustion intermediates forms the core of this work.
A Generalized Time-Dependent Harmonic Oscillator at Finite Temperature
International Nuclear Information System (INIS)
Majima, H.; Suzuki, A.
2006-01-01
We show how a generalized time-dependent harmonic oscillator (GTHO) is extended to a finite temperature case by using thermo field dynamics (TFD). We derive the general time-dependent annihilation and creation operators for the system, and obtain the time-dependent quasiparticle annihilation and creation operators for the GTHO by using the temperature-dependent Bogoliubov transformation of TFD. We also obtain the thermal state as a two-mode squeezed vacuum state in the time-dependent case as well as in the time-independent case. The general formula is derived to calculate the thermal expectation value of operators
The photodissociation and reaction dynamics of vibrationally excited molecules
Energy Technology Data Exchange (ETDEWEB)
Crim, F.F. [Univ. of Wisconsin, Madison (United States)
1993-12-01
This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.
Time-Dependent Behaviors of Granite: Loading-Rate Dependence, Creep, and Relaxation
Hashiba, K.; Fukui, K.
2016-07-01
To assess the long-term stability of underground structures, it is important to understand the time-dependent behaviors of rocks, such as their loading-rate dependence, creep, and relaxation. However, there have been fewer studies on crystalline rocks than on tuff, mudstone, and rock salt, because the high strength of crystalline rocks makes the detection of their time-dependent behaviors much more difficult. Moreover, studies on the relaxation, temporal change of stress and strain (TCSS) conditions, and relations between various time-dependent behaviors are scarce for not only granites, but also other rocks. In this study, previous reports on the time-dependent behaviors of granites were reviewed and various laboratory tests were conducted using Toki granite. These tests included an alternating-loading-rate test, creep test, relaxation test, and TCSS test. The results showed that the degree of time dependence of Toki granite is similar to other granites, and that the TCSS resembles the stress-relaxation curve and creep-strain curve. A viscoelastic constitutive model, proposed in a previous study, was modified to investigate the relations between the time-dependent behaviors in the pre- and post-peak regions. The modified model reproduced the stress-strain curve, creep, relaxation, and the results of the TCSS test. Based on a comparison of the results of the laboratory tests and numerical simulations, close relations between the time-dependent behaviors were revealed quantitatively.
Coherent states for certain time-dependent systems
International Nuclear Information System (INIS)
Pedrosa, I.A.
1989-01-01
Hartley and Ray have constructed and studied coherent states for the time-dependent oscillator. Here we show how to construct states for more general time-dependent systems. We also show that these states are equivalent to the well-known squeezed states. (author) [pt
Propagators for the time-dependent Kohn-Sham equations
International Nuclear Information System (INIS)
Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel
2004-01-01
In this paper we address the problem of the numerical integration of the time-dependent Schroedinger equation i∂ t φ=Hφ. In particular, we are concerned with the important case where H is the self-consistent Kohn-Sham Hamiltonian that stems from time-dependent functional theory. As the Kohn-Sham potential depends parametrically on the time-dependent density, H is in general time dependent, even in the absence of an external time-dependent field. The present analysis also holds for the description of the excited state dynamics of a many-electron system under the influence of arbitrary external time-dependent electromagnetic fields. Our discussion is separated in two parts: (i) First, we look at several algorithms to approximate exp(A), where A is a time-independent operator [e.g., A=-iΔtH(τ) for some given time τ]. In particular, polynomial expansions, projection in Krylov subspaces, and split-operator methods are investigated. (ii) We then discuss different approximations for the time-evolution operator, such as the midpoint and implicit rules, and Magnus expansions. Split-operator techniques can also be modified to approximate the full time-dependent propagator. As the Hamiltonian is time dependent, problem (ii) is not equivalent to (i). All these techniques have been implemented and tested in our computer code OCTOPUS, but can be of general use in other frameworks and implementations
International Nuclear Information System (INIS)
Yuece, Cem
2003-01-01
In this paper, the problem of the charged harmonic plus an inverse harmonic oscillator with time-dependent mass and frequency in a time-dependent electromagnetic field is investigated. It is reduced to the problem of the inverse harmonic oscillator with time-independent parameters and the exact wave function is obtained
TD-DFT Insight into Photodissociation of Co-C Bond in Coenzyme B12
Directory of Open Access Journals (Sweden)
Pawel Michal Kozlowski
2014-02-01
Full Text Available Coenzyme B12 (AdoCbl is one of the most biologically active forms of vitamin B12, and continues to be a topic of active research interest. The mechanism of Co-C bond cleavage in AdoCbl, and the corresponding enzymatic reactions are however, not well understood at the molecular level. In this work, time-dependent density functional theory (TD-DFT has been applied to investigate the photodissociation of coenzyme B12. To reduce computational cost, while retaining the major spectroscopic features of AdoCbl, a truncated model based on ribosylcobalamin (RibCbl was used to simulate Co-C photodissociation. Equilibrium geometries of RibCbl were obtained by optimization at the DFT/BP86/TZVP level of theory, and low-lying excited states were calculated by TD-DFT using the same functional and basis set. The calculated singlet states, and absorption spectra were simulated in both the gas phase, and water, using the polarizable continuum model (PCM. Both spectra were in reasonable agreement with experimental data, and potential energy curves based on vertical excitations were plotted to explore the nature of Co-C bond dissociation. It was found that a repulsive 3(σCo-C → σ*Co-C triplet state became dissociative at large Co-C bond distance, similar to a previous observation for methylcobalamin (MeCbl. Furthermore, potential energy surfaces (PESs obtained as a function of both Co-CRib and Co-NIm distances, identify the S1 state as a key intermediate generated during photoexcitation of RibCbl, attributed to a mixture of a MLCT (metal-to-ligand charge transfer and a σ bonding-ligand charge transfer (SBLCT states.
Combining UV photodissociation with electron transfer for peptide structure analysis
Czech Academy of Sciences Publication Activity Database
Shaffer, C. J.; Marek, Aleš; Pepin, R.; Slováková, K.; Tureček, F.
2015-01-01
Roč. 50, č. 3 (2015), s. 470-475 ISSN 1076-5174 Institutional support: RVO:61388963 Keywords : electron transfer dissociation * laser photodissociation * peptide ions * cation radical * chromophores * isomer distinction Subject RIV: CE - Biochemistry Impact factor: 2.541, year: 2015
Controlling the branching ratio of photodissociation using aligned molecules
DEFF Research Database (Denmark)
Larsen, J.J.; Wendt-Larsen, I.; Stapelfeldt, H.
1999-01-01
Using a sample of iodine molecules, aligned by a strong, linearly polarized laser pulse, we control the branching ratio of the I+I and I+I* photodissociation channels by a factor of 26. The control relies on selective photoexcitation of two potential curves that each correlate adiabatically...
Recovery of time-dependent volatility in option pricing model
Deng, Zui-Cha; Hon, Y. C.; Isakov, V.
2016-11-01
In this paper we investigate an inverse problem of determining the time-dependent volatility from observed market prices of options with different strikes. Due to the non linearity and sparsity of observations, an analytical solution to the problem is generally not available. Numerical approximation is also difficult to obtain using most of the existing numerical algorithms. Based on our recent theoretical results, we apply the linearisation technique to convert the problem into an inverse source problem from which recovery of the unknown volatility function can be achieved. Two kinds of strategies, namely, the integral equation method and the Landweber iterations, are adopted to obtain the stable numerical solution to the inverse problem. Both theoretical analysis and numerical examples confirm that the proposed approaches are effective. The work described in this paper was partially supported by a grant from the Research Grant Council of the Hong Kong Special Administrative Region (Project No. CityU 101112) and grants from the NNSF of China (Nos. 11261029, 11461039), and NSF grants DMS 10-08902 and 15-14886 and by Emylou Keith and Betty Dutcher Distinguished Professorship at the Wichita State University (USA).
Time-dependent reliability sensitivity analysis of motion mechanisms
International Nuclear Information System (INIS)
Wei, Pengfei; Song, Jingwen; Lu, Zhenzhou; Yue, Zhufeng
2016-01-01
Reliability sensitivity analysis aims at identifying the source of structure/mechanism failure, and quantifying the effects of each random source or their distribution parameters on failure probability or reliability. In this paper, the time-dependent parametric reliability sensitivity (PRS) analysis as well as the global reliability sensitivity (GRS) analysis is introduced for the motion mechanisms. The PRS indices are defined as the partial derivatives of the time-dependent reliability w.r.t. the distribution parameters of each random input variable, and they quantify the effect of the small change of each distribution parameter on the time-dependent reliability. The GRS indices are defined for quantifying the individual, interaction and total contributions of the uncertainty in each random input variable to the time-dependent reliability. The envelope function method combined with the first order approximation of the motion error function is introduced for efficiently estimating the time-dependent PRS and GRS indices. Both the time-dependent PRS and GRS analysis techniques can be especially useful for reliability-based design. This significance of the proposed methods as well as the effectiveness of the envelope function method for estimating the time-dependent PRS and GRS indices are demonstrated with a four-bar mechanism and a car rack-and-pinion steering linkage. - Highlights: • Time-dependent parametric reliability sensitivity analysis is presented. • Time-dependent global reliability sensitivity analysis is presented for mechanisms. • The proposed method is especially useful for enhancing the kinematic reliability. • An envelope method is introduced for efficiently implementing the proposed methods. • The proposed method is demonstrated by two real planar mechanisms.
International Nuclear Information System (INIS)
Nishiyama, Yoshikazu; Kato, Tsuyoshi; Ohtsuki, Yukiyoshi; Fujimura, Yuichi
2004-01-01
A linearized optimal control method in combination with mixed quantum/classical molecular dynamics simulation is used for numerically investigating the possibility of controlling photodissociation wave packets of I 2 - in water. Optimal pulses are designed using an ensemble of photodissociation samples, aiming at the creation of localized dissociation wave packets. Numerical results clearly show the effectiveness of the control although the control achievement is reduced with an increase in the internuclear distance associated with a target region. We introduce effective optimal pulses that are designed using a statistically averaged effective dissociation potential, and show that they semiquantitatively reproduce the control achievements calculated by using optimal pulses. The control mechanisms are interpreted from the time- and frequency-resolved spectra of the effective optimal pulses
Van Meer, R.; Gritsenko, O. V.; Baerends, E. J.
2017-01-01
Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In
Time-dependent friction and solvation time correlation function
International Nuclear Information System (INIS)
Samanta, Alok; Ali, Sk Musharaf; Ghosh, Swapan K
2005-01-01
We have derived a new relation between the time-dependent friction and solvation time correlation function (STCF) for non-polar fluids. The friction values calculated using this relation and simulation results on STCF for a Lennard-Jones fluid are shown to have excellent agreement with the same obtained through mode-coupling theory. Also derived is a relation between the time-dependent dielectric friction and STCF for polar fluids. Routes are thus provided to obtain the time-dependent friction (non-polar as well as dielectric) from an experimentally measured quantity like STCF, even if the interparticle interaction potential is not known
Time-dependent deterministic transport on parallel architectures using PARTISN
International Nuclear Information System (INIS)
Alcouffe, R.E.; Baker, R.S.
1998-01-01
In addition to the ability to solve the static transport equation, the authors have also incorporated time dependence into the parallel S N code PARTISN. Using a semi-implicit scheme, PARTISN is capable of performing time-dependent calculations for both fissioning and pure source driven problems. They have applied this to various types of problems such as shielding and prompt fission experiments. This paper describes the form of the time-dependent equations implemented, their solution strategies in PARTISN including iteration acceleration, and the strategies used for time-step control. Results are presented for a iron-water shielding calculation and a criticality excursion in a uranium solution configuration
Simulation of time-dependent Heisenberg models in one dimension
DEFF Research Database (Denmark)
Volosniev, A. G.; Hammer, H. -W.; Zinner, N. T.
2016-01-01
In this Letter, we provide a theoretical analysis of strongly interacting quantum systems confined by a time-dependent external potential in one spatial dimension. We show that such systems can be used to simulate spin chains described by Heisenberg Hamiltonians in which the exchange coupling...... constants can be manipulated by time-dependent driving of the shape of the external confinement. As illustrative examples, we consider a harmonic trapping potential with a variable frequency and an infinite square well potential with a time-dependent barrier in the middle....
Time-dependent behavior of positrons in noble gases
International Nuclear Information System (INIS)
Wadehra, J.M.
1990-01-01
Both equilibrium and nonequilibrium behaviors of positrons in several noble gases are reviewed. Our novel procedure for obtaining the time-dependent behavior of various swarm parameters -- such as the positron drift velocity, average positron energy, positron annihilation rate (or equivalently Z eff ) etc. -- for positrons in pure ambient gases subjected to external electrostatic fields is described. Summaries of time-dependent as well as electric field-dependent results for positron swarms in various noble gases are presented. New time-dependent results for positron swarms in neon are also described in detail. 36 refs., 4 figs., 3 tabs
Evaluation of Time-Dependent Behavior of Soils
DEFF Research Database (Denmark)
Augustesen, Anders; Liingaard, Morten; Lade, Poul V.
2004-01-01
The time-dependent behavior of soils has been investigated extensively through one-dimensional and triaxial test conditions. Most of the observations in literature have focused on the determination of the time-dependent behavior of clayey soils, whereas the reported experimental studies of granular...... situation for soils. That is whether the time-dependent behavior can be characterized as isotach or nonisotach. It seems that the isotach behavior is adequate for describing the time effects in clays in most situations. But for sand, the isotach description is inadequate. Further, the phenomenon...
K shortest paths in stochastic time-dependent networks
DEFF Research Database (Denmark)
Nielsen, Lars Relund; Pretolani, Daniele; Andersen, Kim Allan
2004-01-01
A substantial amount of research has been devoted to the shortest path problem in networks where travel times are stochastic or (deterministic and) time-dependent. More recently, a growing interest has been attracted by networks that are both stochastic and time-dependent. In these networks, the ...... present a computational comparison of time-adaptive and a priori route choices, pointing out the effect of travel time and cost distributions. The reported results show that, under realistic distributions, our solution methods are effective.......A substantial amount of research has been devoted to the shortest path problem in networks where travel times are stochastic or (deterministic and) time-dependent. More recently, a growing interest has been attracted by networks that are both stochastic and time-dependent. In these networks...
Skinner-Rusk approach to time-dependent mechanics
Cortés, Jorge; Martínez, Sonia; Cantrijn, Frans
2002-01-01
The geometric approach to autonomous classical mechanical systems in terms of a canonical first-order system on the Whitney sum of the tangent and cotangent bundle, developed by Skinner and Rusk, is extended to the time-dependent framework.
Ambiguities in the Lagrangians formalism: the time-dependent case
International Nuclear Information System (INIS)
Moreira, D.T.
1986-01-01
An intrinsic formulation of the equivalence problem for time-dependent Lagrangians is given. A new demostration of a theorem derived by Henneaux (1982) is obtained. The relationship to transformation groups is discussed. (Author) [pt
The accuracy of time dependent transport equation ergodic approximation
International Nuclear Information System (INIS)
Stancic, V.
1995-01-01
In order to predict the accuracy of the ergodic approximation for solving the time dependent transport equation, a comparison with respect to multiple collision and time finite difference methods, has been considered. (author)
Construction of an exact solution of time-dependent Ginzburg ...
Indian Academy of Sciences (India)
time-dependent Ginzburg–Landau (TDGL) equations we have calculated the ... The prototype of such equations is the parabolic reaction diffusion equation [7,8] ..... It may be possible to compare the above results with suitable experiments, ...
Time-dependent pseudo-reciprocity relations in neutronics
International Nuclear Information System (INIS)
Modak, R.S.; Sahni, D.C.
2002-01-01
Earlier, certain reciprocity-like relations have been shown to hold in some restricted steady state cases in neutron diffusion and transport theories. Here, the possibility of existence of similar relations in time-dependent situations is investigated
A maximum principle for time dependent transport in systems with voids
International Nuclear Information System (INIS)
Schofield, S.L.; Ackroyd, R.T.
1996-01-01
A maximum principle is developed for the first-order time dependent Boltzmann equation. The maximum principle is a generalization of Schofield's κ(θ) principle for the first-order steady state Boltzmann equation, and provides a treatment of time dependent transport in systems with void regions. The formulation comprises a direct least-squares minimization allied with a suitable choice of bilinear functional, and gives rise to a maximum principle whose functional is free of terms that have previously led to difficulties in treating void regions. (Author)
Geometry and dynamics with time-dependent constraints
Evans, Jonathan M.; Jonathan M Evans; Philip A Tuckey
1995-01-01
We describe how geometrical methods can be applied to a system with explicitly time-dependent second-class constraints so as to cast it in Hamiltonian form on its physical phase space. Examples of particular interest are systems which require time-dependent gauge fixing conditions in order to reduce them to their physical degrees of freedom. To illustrate our results we discuss the gauge-fixing of relativistic particles and strings moving in arbitrary background electromagnetic and antisymmetric tensor fields.
Relativistic Photoionization Computations with the Time Dependent Dirac Equation
2016-10-12
Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6795--16-9698 Relativistic Photoionization Computations with the Time Dependent Dirac... Photoionization Computations with the Time Dependent Dirac Equation Daniel F. Gordon and Bahman Hafizi Naval Research Laboratory 4555 Overlook Avenue, SW...Unclassified Unlimited Unclassified Unlimited 22 Daniel Gordon (202) 767-5036 Tunneling Photoionization Ionization of inner shell electrons by laser
Stationary solution of a time dependent density matrix formalism
International Nuclear Information System (INIS)
Tohyama, Mitsuru
1994-01-01
A stationary solution of a time-dependent density-matrix formalism, which is an extension of the time-dependent Hartree-Fock theory to include the effects of two-body correlations, is obtained for the Lipkin model hamiltonian, using an adiabatic treatment of the two-body interaction. It is found that the obtained result is a reasonable approximation for the exact solution of the model. (author)
International Nuclear Information System (INIS)
Lo, C.F.
2009-01-01
By applying the standard analytical techniques of solving partial differential equations, we have obtained the exact solution in terms of the Fourier sine series to the time-dependent Schroedinger equation describing a quantum one-dimensional harmonic oscillator of time-dependent frequency confined in an infinite square well with the two walls moving along some parametric trajectories. Based upon the orthonormal basis of quasi-stationary wave functions, the exact propagator of the system has also been analytically derived. Special cases like (i) a confined free particle, (ii) a confined time-independent harmonic oscillator, and (iii) an aging oscillator are examined, and the corresponding time-dependent wave functions are explicitly determined. Besides, the approach has been extended to solve the case of a confined generalized time-dependent harmonic oscillator for some parametric moving boundaries as well. (general)
An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection.
Nandipati, K R; Lan, Z; Singh, H; Mahapatra, S
2017-06-07
A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S 0 - 1 πσ * (A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.
An alternative laser driven photodissociation mechanism of pyrrole via π*1σ/S0 conical intersection
Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.
2017-06-01
A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S0-1π σ*(A12) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the π*1σ state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the π*1σ photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.
Gao, Hong
The tunable vacuum ultraviolet (VUV) laser generated through the two-photon resonance-enhanced four-wave mixing scheme is combined with the newly developed time-slice velocity map imaging photoion method to study the photodissociation of small molecules in the VUV region, and with the velocity map imaging photoelectron method to study the photoionization of free radicals. The photodissociation dynamics of NO in the energy region around 13.5 eV has been investigated. Branching ratios of the three lowest dissociation channels of 12C 16O that produce C(3P) + O(3P), C( 1D) + O(3P) and C(3P) + O(1D) are measured for the first time in the VUV region from 102,500 cm-1 to 110,500 cm-1, valuable information of the dissociation dynamics for this prototype system has been deduced. We demonstrated an experiment that has two independently tunable VUV lasers and a time-slice velocity map imaging setup, this provides us a global way to perform systematic state-selected photodissociation of small molecules via state-selected detection of the atomic products in the VUV region. The velocity map imaging photoelectron method was successfully used to obtain the photoelectron spectrum of the propargyl radical (C3H3) via a single VUV photoionization process. The propargyl radical is generated by the 193 nm laser photodissociation of the precursor C3H3Cl. This is the first time that the velocity map imaging photoelectron method is used to get the photoelectron spectra of free radicals, indicating that it is a powerful technique for studying the photoionization of free radicals which are always hard to be produced with high enough number densities for spectroscopic studies. This dissertation is mainly based on the following peer-reviewed journal articles: 1. Hong Gao, Yang Pan, Lei Yang, Jingang Zhou, C. Y. Ng and William M. Jackson. "Time-slice velocity-map ion imaging studies of the Photodissociation of NO in the vacuum ultraviolet region", the Journal of Chemical Physics, 136, 134302
Studies of Clump Structure of Photodissociation Regions at ...
Indian Academy of Sciences (India)
R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22
1992); Meixner & Tielens (1993); Robert & Pagani (1993); Bennet et al. (1994); ..... Castets, A., Duvert, G., Durtey, A., Bally, J., Langer, W. D., Wilson, R. W. 1990, Astron. ... Spitzer Jr., 1978, Physical Processes in the Interstellar Matter (John Wiley).
Time-dependent reliability analysis of flood defences
International Nuclear Information System (INIS)
Buijs, F.A.; Hall, J.W.; Sayers, P.B.; Gelder, P.H.A.J.M. van
2009-01-01
This paper describes the underlying theory and a practical process for establishing time-dependent reliability models for components in a realistic and complex flood defence system. Though time-dependent reliability models have been applied frequently in, for example, the offshore, structural safety and nuclear industry, application in the safety-critical field of flood defence has to date been limited. The modelling methodology involves identifying relevant variables and processes, characterisation of those processes in appropriate mathematical terms, numerical implementation, parameter estimation and prediction. A combination of stochastic, hierarchical and parametric processes is employed. The approach is demonstrated for selected deterioration mechanisms in the context of a flood defence system. The paper demonstrates that this structured methodology enables the definition of credible statistical models for time-dependence of flood defences in data scarce situations. In the application of those models one of the main findings is that the time variability in the deterioration process tends to be governed the time-dependence of one or a small number of critical attributes. It is demonstrated how the need for further data collection depends upon the relevance of the time-dependence in the performance of the flood defence system.
Watching excitons move: the time-dependent transition density matrix
Ullrich, Carsten
2012-02-01
Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.
Non-integrability of time-dependent spherically symmetric Yang-Mills equations
International Nuclear Information System (INIS)
Matinyan, S.G.; Prokhorenko, E.V.; Savvidy, G.K.
1986-01-01
The integrability of time-dependent spherically symmetric Yang-Mills equations is studied using the Fermi-Pasta-Ulam method. The phase space of this system is shown to have no quasi-periodic motion specific for integrable systems. In particular, the well-known Wu-Yang static solution is unstable, so its vicinity in phase is the stochasticity region
Semiclassical approximation to time-dependent Hartree--Fock theory
International Nuclear Information System (INIS)
Dworzecka, M.; Poggioli, R.
1976-01-01
Working within a time-dependent Hartree-Fock framework, one develops a semiclassical approximation appropriate for large systems. It is demonstrated that the standard semiclassical approach, the Thomas-Fermi approximation, is inconsistent with Hartree-Fock theory when the basic two-body interaction is short-ranged (as in nuclear systems, for example). However, by introducing a simple extension of the Thomas-Fermi approximation, one overcomes this problem. One also discusses the infinite nuclear matter problem and point out that time-dependent Hartree-Fock theory yields collective modes of the zero sound variety instead of ordinary hydrodynamic (first) sound. One thus emphasizes that one should be extremely circumspect when attempting to cast the equations of motion of time-dependent Hartree-Fock theory into a hydrodynamic-like form
Time dependent convection electric fields and plasma injection
International Nuclear Information System (INIS)
Kaye, S.M.; Kivelson, M.G.
1979-01-01
Large-scale electric fields associated with storms or substorms are responsible for inward convection and energization of plasma sheet plasma. Calculations based on steady state convection theory show that the response to such electric fields qualitatively accounts for many features of the injected particle distribution, but quantitative agreement with the theory has not yet been obtained. It is known that the predictions can be improved by introducing the concept of convection in response to a time dependent electric field. On the other hand, time dependent calculations are sensitive to the choice of initial conditions, and most models have failed to incorporate these conditions in a realistic and self-consistent manner. In this paper we present a more complete model consisting of realisic initial conditions and time dependent convection to explain a typical substorm-associated electron injection event. We find very good agreement between the observed electron flux changes and those predicted by our model
Time-dependent massless Dirac fermions in graphene
Energy Technology Data Exchange (ETDEWEB)
Khantoul, Boubakeur, E-mail: bobphys@gmail.com [Department of Mathematics, City University London, Northampton Square, London EC1V 0HB (United Kingdom); Department of Physics, University of Jijel, BP 98, Ouled Aissa, 18000 Jijel (Algeria); Fring, Andreas, E-mail: a.fring@city.ac.uk [Department of Mathematics, City University London, Northampton Square, London EC1V 0HB (United Kingdom)
2015-10-30
Using the Lewis–Riesenfeld method of invariants we construct explicit analytical solutions for the massless Dirac equation in 2+1 dimensions describing quasi-particles in graphene. The Hamiltonian of the system considered contains some explicit time-dependence in addition to one resulting from being minimally coupled to a time-dependent vector potential. The eigenvalue equations for the two spinor components of the Lewis–Riesenfeld invariant are found to decouple into a pair of supersymmetric invariants in a similar fashion as the known decoupling for the time-independent Dirac Hamiltonians. - Highlights: • An explicit analytical solution for a massless 2+1 dimensional time-dependent Dirac equation is found. • All steps of the Lewis–Riesenfeld method have been carried out.
Solitary wave dynamics in time-dependent potentials
International Nuclear Information System (INIS)
Abou Salem, Walid K.
2008-01-01
The long time dynamics of solitary wave solutions of the nonlinear Schroedinger equation in time-dependent external potentials is rigorously studied. To set the stage, the well-posedness of the Cauchy problem for a generalized nonautonomous nonlinear Schroedinger equation with time-dependent nonlinearities and potential is established. Afterward, the dynamics of NLS solitary waves in time-dependent potentials is studied. It is shown that in the space-adiabatic regime where the external potential varies slowly in space compared to the size of the soliton, the dynamics of the center of the soliton is described by Hamilton's equations, plus terms due to radiation damping. Finally, two physical applications are discussed: the first is adiabatic transportation of solitons and the second is the Mathieu instability of trapped solitons due to time-periodic perturbations
Quadratic time dependent Hamiltonians and separation of variables
Anzaldo-Meneses, A.
2017-06-01
Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green's function is obtained and a comparison with the classical Hamilton-Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei-Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü-Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems.
Computational complexity of time-dependent density functional theory
International Nuclear Information System (INIS)
Whitfield, J D; Yung, M-H; Tempel, D G; Aspuru-Guzik, A; Boixo, S
2014-01-01
Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence of a fictitious non-interacting system (known as the Kohn–Sham system), which can reproduce the one-electron reduced probability density of the actual system. We build upon these works and show that on the interior of the domain of existence, the Kohn–Sham system can be efficiently obtained given the time-dependent density. We introduce a V-representability parameter which diverges at the boundary of the existence domain and serves to quantify the numerical difficulty of constructing the Kohn-Sham potential. For bounded values of V-representability, we present a polynomial time quantum algorithm to generate the time-dependent Kohn–Sham potential with controllable error bounds. (paper)
Photodissociation spectroscopy and dynamics of free radicals, clusters, and ions
Energy Technology Data Exchange (ETDEWEB)
Choi, Hyeon [Univ. of California, Berkeley, CA (United States)
1999-12-01
The photodissociation spectroscopy and dynamics of free radicals and ions is studied to characterize the dissociative electronic states in these species. To accomplish this, a special method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with the technique of fast beam photofragment translational spectroscopy. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states. Branching ratios to various product channels, the translational energy distributions of the fragments, and bond dissociation energies are then determined at selected photon energies. The detailed picture of photodissociation dynamics is provided with the aid of ab initio calculations and a statistical model to interpret the observed data. Important reaction intermediates in combustion reactions have been studied: CCO, C_{2}H_{5}O, and linear C_{n} (n = 4--6).
Directory of Open Access Journals (Sweden)
G. D. Wells
1997-03-01
Full Text Available In the past the global, fully coupled, time-dependent mathematical model of the Earth's thermosphere/ionosphere/plasmasphere (CTIP has been unable to reproduce accurately observed values of the maximum plasma frequency, foF2, at extreme geophysical locations such as the Argentine Islands during the summer solstice where the ionosphere remains in sunlight throughout the day. This is probably because the seasonal dependence of thermospheric cooling by 5.3 µm nitric oxide has been neglected and the photodissociation of O2 and heating rate calculations have been over-simplified. Now we have included an up-to-date calculation of the solar EUV and UV thermospheric heating rate, coupled with a new calculation of a diurnally varying O2 photodissociation rate, in the model. Seasonally dependent 5.3 µm nitric oxide cooling is also included. With these important improvements, it is found that model values of foF2 are in substantially better agreement with observation. The height of the F2-peak is reduced throughout the day, but remains within acceptable limits of values derived from observation, except at around 0600 h LT. We also carry out two studies of the sensitivity of the upper atmosphere to changes in the magnitude of nitric oxide cooling and photodissociation rates. We find that hmF2 increases with increased heating, whilst foF2 falls. The converse is true for an increase in the cooling rate. Similarly increasing the photodissociation rate increases both hmF2 and foF2. These changes are explained in terms of changes in the neutral temperature, composition and neutral wind.
Time-dependent Bragg diffraction by multilayer gratings
International Nuclear Information System (INIS)
André, Jean-Michel; Jonnard, Philippe
2016-01-01
Time-dependent Bragg diffraction by multilayer gratings working by reflection or by transmission is investigated. The study is performed by generalizing the time-dependent coupled-wave theory previously developed for one-dimensional photonic crystals (André J-M and Jonnard P 2015 J. Opt. 17 085609) and also by extending the Takagi–Taupin approach of the dynamical theory of diffraction. The indicial response is calculated. It presents a time delay with a transient time that is a function of the extinction length for reflection geometry and of the extinction length combined with the thickness of the grating for transmission geometry. (paper)
Vacuum radiation induced by time dependent electric field
Directory of Open Access Journals (Sweden)
Bo Zhang
2017-04-01
Full Text Available Many predictions of new phenomena given by strong field quantum electrodynamics (SFQED will be tested on next generation multi-petawatt laser facilities in the near future. These new phenomena are basis to understand physics in extremely strong electromagnetic fields therefore have attracted wide research interest. Here we discuss a new SFQED phenomenon that is named as vacuum radiation. In vacuum radiation, a virtual electron loop obtain energy from time dependent external electric field and radiate an entangled photon pair. Features of vacuum radiation in a locally time dependent electric field including spectrum, characteristic temperature, production rate and power are given.
Characterization of Models for Time-Dependent Behavior of Soils
DEFF Research Database (Denmark)
Liingaard, Morten; Augustesen, Anders; Lade, Poul V.
2004-01-01
Different classes of constitutive models have been developed to capture the time-dependent viscous phenomena ~ creep, stress relaxation, and rate effects ! observed in soils. Models based on empirical, rheological, and general stress-strain-time concepts have been studied. The first part....... Special attention is paid to elastoviscoplastic models that combine inviscid elastic and time-dependent plastic behavior. Various general elastoviscoplastic models can roughly be divided into two categories: Models based on the concept of overstress and models based on nonstationary flow surface theory...
Vacuum radiation induced by time dependent electric field
Energy Technology Data Exchange (ETDEWEB)
Zhang, Bo, E-mail: zhangbolfrc@caep.cn [Department of High Energy Density Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Laboratory of Science and Technology on Plasma Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Zhang, Zhi-meng; Hong, Wei; He, Shu-Kai; Teng, Jian [Department of High Energy Density Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Laboratory of Science and Technology on Plasma Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Gu, Yu-qiu, E-mail: yqgu@caep.cn [Department of High Energy Density Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Laboratory of Science and Technology on Plasma Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China)
2017-04-10
Many predictions of new phenomena given by strong field quantum electrodynamics (SFQED) will be tested on next generation multi-petawatt laser facilities in the near future. These new phenomena are basis to understand physics in extremely strong electromagnetic fields therefore have attracted wide research interest. Here we discuss a new SFQED phenomenon that is named as vacuum radiation. In vacuum radiation, a virtual electron loop obtain energy from time dependent external electric field and radiate an entangled photon pair. Features of vacuum radiation in a locally time dependent electric field including spectrum, characteristic temperature, production rate and power are given.
Exponential integrators in time-dependent density-functional calculations
Kidd, Daniel; Covington, Cody; Varga, Kálmán
2017-12-01
The integrating factor and exponential time differencing methods are implemented and tested for solving the time-dependent Kohn-Sham equations. Popular time propagation methods used in physics, as well as other robust numerical approaches, are compared to these exponential integrator methods in order to judge the relative merit of the computational schemes. We determine an improvement in accuracy of multiple orders of magnitude when describing dynamics driven primarily by a nonlinear potential. For cases of dynamics driven by a time-dependent external potential, the accuracy of the exponential integrator methods are less enhanced but still match or outperform the best of the conventional methods tested.
Time dependent density matrix theory and effective interaction
Energy Technology Data Exchange (ETDEWEB)
Tohyama, Mitsuru [Kyorin Univ., Mitaka, Tokyo (Japan). School of Medicine
1998-07-01
A correlated ground state of {sup 16}O and an E2 giant resonance built on it are calculated using an extended version of the time-dependent Hartree-Fock theory called the time-dependent density-matrix theory (TDDM). The Skyrme force is used in the calculation of both a mean field and two-body correlations. It is found that TDDM gives reasonable ground-state correlations and a large spreading width of the E2 giant resonance when single-particle states in the continuum are treated appropriately. (author)
Photodissociation of ultracold diatomic strontium molecules with quantum state control.
McDonald, M; McGuyer, B H; Apfelbeck, F; Lee, C-H; Majewska, I; Moszynski, R; Zelevinsky, T
2016-07-07
Chemical reactions at ultracold temperatures are expected to be dominated by quantum mechanical effects. Although progress towards ultracold chemistry has been made through atomic photoassociation, Feshbach resonances and bimolecular collisions, these approaches have been limited by imperfect quantum state selectivity. In particular, attaining complete control of the ground or excited continuum quantum states has remained a challenge. Here we achieve this control using photodissociation, an approach that encodes a wealth of information in the angular distribution of outgoing fragments. By photodissociating ultracold (88)Sr2 molecules with full control of the low-energy continuum, we access the quantum regime of ultracold chemistry, observing resonant and nonresonant barrier tunnelling, matter-wave interference of reaction products and forbidden reaction pathways. Our results illustrate the failure of the traditional quasiclassical model of photodissociation and instead are accurately described by a quantum mechanical model. The experimental ability to produce well-defined quantum continuum states at low energies will enable high-precision studies of long-range molecular potentials for which accurate quantum chemistry models are unavailable, and may serve as a source of entangled states and coherent matter waves for a wide range of experiments in quantum optics.
Kinetics of photodissociated oxygen recombination to human oxyhemoglobin
International Nuclear Information System (INIS)
Bokut', S.B.; Syakhovich, V.E.; Parul', D.A.; Lepeshkevich, S.V.; Dzhagarov, B.M.
2001-01-01
Oxygen binding to the tetrameric hemoglobin (Hb) is a basic reaction for study of a cooperativity and allosteric homotropic and heterotropic interactions in proteins. In tetrameric hemoglobin the certain sites in the α 1 β 2 -interface have the precise geometry and chemical reactivity to bind 2,3-diphosphoglycerate, protons, chloride and hence shift the equilibrium away from the oxyconformation, thereby favoring O 2 release. Post-translational modifications of the major hemoglobin fraction Hb A 1 with sugar moiety in the Hb central cavity leads to differences in geometry of the effectors binding region providing a useful experimental tool to study the long range relationship in the tetramer molecule. Here we present the results of the nongeminate biomolecular association of Hb and O 2 obtained by nanosecond laser flash-photolysis. All measurements were carried out in 50 mM potassium-phosphate buffer pH 7.4 with the following samples Hb A 1 , HbA 1c , HbA 1b , and HbA 1 in the presence of the tenfold excess of inositol hexaphosphate (IHP). Our results show that oxygen recombination kinetics are characterized by two processes with different decay times and Hb-form-dependent contributions. This process can be described by the following expression: A(t)=A 1 exp(-t/τ 1 )+A 2 exp(-t/τ 2 ), where A(t) is a normalized number of the deoxy-Hb molecules. The short-live component has a lifetime τ 1 , which is Hb-type dependent and changes in the intervals 30-60 μs, the second component has a lifetime τ 2 around 100 μs, and also is sample-dependent value. A(t=0) is proportional to apparent quantum yields of the photodissociation and determines by geminate stages of oxygen binding to Fe from the protein matrix areas. These results show that post-translational modifications of the major hemoglobin component HbA 1 have influence on hemoglobin transport function via the long range relationship in the tetramer molecule
Analysis of cavity effect on space- and time-dependent fast and thermal neutron energy spectra
International Nuclear Information System (INIS)
Kudo, Katsuhisa; Narita, Masakuni; Ozawa, Yasutomo.
1975-01-01
The effects of the presence of a central cavity on the space- and time-dependent neutron energy spectra in both thermal and fast neutron systems are analyzed theoretically with use made of the multi-group one-dimensional time-dependent Ssub(n) method. The thermal neutron field is also analyzed for the case of a fundamental time eigenvalue problem with the time-dependent P 1 approximation. The cavity radius is variable, and the system radius for graphite is 120 cm and for the other materials 7 cm. From the analysis of the time-dependent Ssub(n) calculations in the non-multiplying systems of polythene, light water and graphite, cavity heating is the dominant effect for the slowing-down spectrum in the initial period following fast neutron burst, and when the slowing-down spectrum comes into the thermal energy region, cavity heating shifts to cavity cooling. In the multiplying system of 235 U, cavity cooling also takes place as the spectrum approaches equilibrium after the fast neutron burst is injected. The mechanism of cavity cooling is explained analytically for the case of thermal neutron field to illustrate its physical aspects, using the time-dependent P 1 approximation. An example is given for the case of light water. (auth.)
Student Understanding of Time Dependence in Quantum Mechanics
Emigh, Paul J.; Passante, Gina; Shaffer, Peter S.
2015-01-01
The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing…
Vehicle routing with stochastic time-dependent travel times
Lecluyse, C.; Woensel, van T.; Peremans, H.
2009-01-01
Assigning and scheduling vehicle routes in a stochastic time-dependent environment is a crucial management problem. The assumption that in a real-life environment everything goes according to an a priori determined static schedule is unrealistic. Our methodology builds on earlier work in which the
Thermal state of the general time-dependent harmonic oscillator
Indian Academy of Sciences (India)
Taking advantage of dynamical invariant operator, we derived quantum mechanical solution of general time-dependent harmonic oscillator. The uncertainty relation of the system is always larger than ħ=2 not only in number but also in the thermal state as expected. We used the diagonal elements of density operator ...
Ranking paths in stochastic time-dependent networks
DEFF Research Database (Denmark)
Nielsen, Lars Relund; Andersen, Kim Allan; Pretolani, Daniele D.
2014-01-01
In this paper we address optimal routing problems in networks where travel times are both stochastic and time-dependent. In these networks, the best route choice is not necessarily a path, but rather a time-adaptive strategy that assigns successors to nodes as a function of time. Nevertheless, in...
Review of time-dependent fatigue behaviour of structural alloys
International Nuclear Information System (INIS)
Greenstreet, W.L.
1978-01-01
A review and assessment of time-dependent fatigue was needed to provide an understanding of time-dependent fatigue processes, to define the limits of our present knowledge, and to establish bases for the development of verified design methods for structural components and systems for operation at elevated temperatures. This report reviews the present state of understanding of that phenomena, commonly called 'creep fatigue', and separates it into crack-initiation and crack propagation processes. Criteria for describing material behavior for each of these processes are discussed and described within the extent of present knowledge, which is limited largely to experience with one-dimensional loading. Behaviors of types 304 and 316 stainless steel are emphasized. Much of the treatment of time-dependent failure present here is new and of a developing nature; areas of agreement and areas requiring further resolution are enumerated'. These words are from the abstract of the report on a comprehensive study of time-dependent fatigue. This paper briefly reviews some of the contents and discusses important conclusions reached, especially in terms of current status and needs for additional work. (Auth.)
Quantifying Time Dependent Moisture Storage and Transport Properties
DEFF Research Database (Denmark)
Peuhkuri, Ruut H
2003-01-01
This paper describes an experimental and numerical approach to quantify the time dependence of sorption mechanisms for some hygroscopic building - mostly insulation - materials. Some investigations of retarded sorption and non-Fickian phenomena, mostly on wood, have given inspiration to the present...
Simulation of compressible viscous flow in time-dependent domains
Czech Academy of Sciences Publication Activity Database
Česenek, J.; Feistauer, M.; Horáček, Jaromír; Kučera, V.; Prokopova, J.
2013-01-01
Roč. 219, č. 13 (2013), s. 7139-7150 ISSN 0096-3003 R&D Projects: GA ČR(CZ) GAP101/11/0207 Institutional support: RVO:61388998 Keywords : time dependent domain * ALE method * semi-implicit time discretization * shock indicator Subject RIV: BI - Acoustics Impact factor: 1.600, year: 2013
Cumulative Beam Breakup with Time-Dependent Parameters
Delayen, J R
2004-01-01
A general analytical formalism developed recently for cumulative beam breakup (BBU) in linear accelerators with arbitrary beam current profile and misalignments [1] is extended to include time-dependent parameters such as energy chirp or rf focusing in order to reduce BBU-induced instabilities and emittance growth. Analytical results are presented and applied to practical accelerator configurations.
Unit-time scheduling problems with time dependent resources
Tautenhahn, T.; Woeginger, G.
1997-01-01
We investigate the computational complexity of scheduling problems, where the operations consume certain amounts of renewable resources which are available in time-dependent quantities. In particular, we consider unit-time open shop problems and unit-time scheduling problems with identical parallel
Quadratic time dependent Hamiltonians and separation of variables
International Nuclear Information System (INIS)
Anzaldo-Meneses, A.
2017-01-01
Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green’s function is obtained and a comparison with the classical Hamilton–Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei–Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü–Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems. - Highlights: • Exact unitary transformation reducing time dependent quadratic quantum Hamiltonian to zero. • New separation of variables method and simultaneous uncoupling of modes. • Explicit examples of transformations for one to four dimensional problems. • New general evolution equation for quadratic form in the action, respectively Green’s function.
Investment horizons : A time-dependent measure of asset performance
Ingve Simonsen; Anders Johansen; Mogens H. Jensen
2005-01-01
We review a resent {\\em time-dependent} performance measure for economical time series -- the (optimal) investment horizon approach. For stock indices, the approach shows a pronounced gain-loss asymmetry that is {\\em not} observed for the individual stocks that comprise the index. This difference may hint towards an synchronize of the draw downs of the stocks.
Multicomponent density-functional theory for time-dependent systems
Butriy, O.; Ebadi, H.; de Boeij, P. L.; van Leeuwen, R.; Gross, E. K. U.
2007-01-01
We derive the basic formalism of density functional theory for time-dependent electron-nuclear systems. The basic variables of this theory are the electron density in body-fixed frame coordinates and the diagonal of the nuclear N-body density matrix. The body-fixed frame transformation is carried
Propagator of a time-dependent unbound quadratic Hamiltonian system
International Nuclear Information System (INIS)
Yeon, K.H.; Kim, H.J.; Um, C.I.; George, T.F.; Pandey, L.N.
1996-01-01
The propagator for a time-dependent unbound quadratic Hamiltonian system is explicitly evaluated using the path integral method. Two time-invariant quantities of the system are found where these invariants determine whether or not the system is bound. Several examples are considered to illustrate that the propagator obtained for the unbound systems is correct
Measuring time-dependent deformations in metallic MEMS
Bergers, L.I.J.C.; Hoefnagels, J.P.M.; Delhey, N.K.R.; Geers, M.G.D.
2011-01-01
The reliability of metallic microelectromechanical systems (MEMS) depends on time-dependent deformation such as creep. Key to this process is the interaction between microstructural length scales and dimensional length scales, so-called size-effects. As a first critical step towards studying these
Construction of time-dependent dynamical invariants: A new approach
International Nuclear Information System (INIS)
Bertin, M. C.; Pimentel, B. M.; Ramirez, J. A.
2012-01-01
We propose a new way to obtain polynomial dynamical invariants of the classical and quantum time-dependent harmonic oscillator from the equations of motion. We also establish relations between linear and quadratic invariants, and discuss how the quadratic invariant can be related to the Ermakov invariant.
Time-dependent quantum fluid density functional theory of hydrogen ...
Indian Academy of Sciences (India)
A time-dependent generalized non-linear Schrödinger equation (GNLSE) of motion was earlier derived in our laboratory by combining density functional theory and quantum fluid dynamics in threedimensional space. In continuation of the work reported previously, the GNLSE is applied to provide additional knowledge on ...
Distributional curvature of time-dependent cosmic strings
Wilson, J P
1997-01-01
Colombeau's theory of generalised functions is used to calculate the contributions, at the rotation axis, to the distributional curvature for a time-dependent radiating cosmic string, and hence the mass per unit length of the string source. This mass per unit length is compared with the mass at null infinity, giving evidence for a global energy conservation law.
Introduction to quantum mechanics a time-dependent perspective
Tannor, David J
2007-01-01
"Introduction to Quantum Mechanics" covers quantum mechanics from a time-dependent perspective in a unified way from beginning to end. Intended for upper-level undergraduate and graduate courses this text will change the way people think about and teach quantum mechanics in chemistry and physics departments.
The evolution of streams in a time-dependent potential
Buist, Hans J. T.; Helmi, Amina
2015-01-01
We study the evolution of streams in a time-dependent spherical gravitational potential. Our goal is to establish what are the imprints of this time evolution on the properties of streams as well as their observability. To this end, we have performed a suite of test-particle experiments for a host
The Feynman integral for time-dependent anharmonic oscillators
International Nuclear Information System (INIS)
Grothaus, M.; Khandekar, D.C.; da Silva, J.L.; Streit, L.
1997-01-01
We review some basic notions and results of white noise analysis that are used in the construction of the Feynman integrand as a generalized white noise functional. We show that the Feynman integrand for the time-dependent harmonic oscillator in an external potential is a Hida distribution. copyright 1997 American Institute of Physics
Path integral solution for some time-dependent potential
International Nuclear Information System (INIS)
Storchak, S.N.
1989-12-01
The quantum-mechanical problem with a time-dependent potential is solved by the path integral method. The solution is obtained by the application of the previously derived general formula for rheonomic homogeneous point transformation and reparametrization in the path integral. (author). 4 refs
Inhibitory Synaptic Plasticity - Spike timing dependence and putative network function.
Directory of Open Access Journals (Sweden)
Tim P Vogels
2013-07-01
Full Text Available While the plasticity of excitatory synaptic connections in the brain has been widely studied, the plasticity of inhibitory connections is much less understood. Here, we present recent experimental and theoretical □ndings concerning the rules of spike timing-dependent inhibitory plasticity and their putative network function. This is a summary of a workshop at the COSYNE conference 2012.
Asymptotic time dependent neutron transport in multidimensional systems
International Nuclear Information System (INIS)
Nagy, M.E.; Sawan, M.E.; Wassef, W.A.; El-Gueraly, L.A.
1983-01-01
A model which predicts the asymptotic time behavior of the neutron distribution in multi-dimensional systems is presented. The model is based on the kernel factorization method used for stationary neutron transport in a rectangular parallelepiped. The accuracy of diffusion theory in predicting the asymptotic time dependence is assessed. The use of neutron pulse experiments for predicting the diffusion parameters is also investigated
Time-Dependent Natural Convection Couette Flow of Heat ...
African Journals Online (AJOL)
Time-Dependent Natural Convection Couette Flow of Heat Generating/Absorbing Fluid between Vertical Parallel Plates Filled With Porous Material. ... The numerical simulation conducted for some saturated liquids reveled that at t ≥ Pr the steady and unsteady state velocities (as well as the temperature of the fluid) ...
Vehicle routing with stochastic time-dependent travel times
Lecluyse, C.; Woensel, van T.; Peremans, H.
2007-01-01
Assigning and scheduling vehicle routes in a stochastic time-dependent environment is a crucial management problem. The assumption that in a real-life environment everything goes according to an a priori determined static schedule is unrealistic. Our methodology builds on earlier work in which the
Coherent states of general time-dependent harmonic oscillator
Indian Academy of Sciences (India)
Abstract. By introducing an invariant operator, we obtain exact wave functions for a general time-dependent quadratic harmonic oscillator. The coherent states, both in x- and p-spaces, are calculated. We confirm that the uncertainty product in coherent state is always larger than Η/2 and is equal to the minimum of the ...
Examining the time dependence of DAMA's modulation amplitude
Kelso, Chris; Savage, Christopher; Sandick, Pearl; Freese, Katherine; Gondolo, Paolo
2018-03-01
If dark matter is composed of weakly interacting particles, Earth's orbital motion may induce a small annual variation in the rate at which these particles interact in a terrestrial detector. The DAMA collaboration has identified at a 9.3σ confidence level such an annual modulation in their event rate over two detector iterations, DAMA/NaI and DAMA/LIBRA, each with ˜ 7 years of observations. This data is well fit by a constant modulation amplitude for the two iterations of the experiment. We statistically examine the time dependence of the modulation amplitudes, which "by eye" appear to be decreasing with time in certain energy ranges. We perform a chi-squared goodness of fit test of the average modulation amplitudes measured by the two detector iterations which rejects the hypothesis of a consistent modulation amplitude at greater than 80, 96, and 99.6% for the 2-4, 2-5 and 2-6 keVee energy ranges, respectively. We also find that among the 14 annual cycles there are three ≳ 3σ departures from the average in our estimated data in the 5-6 keVee energy range. In addition, we examined several phenomenological models for the time dependence of the modulation amplitude. Using a maximum likelihood test, we find that descriptions of the modulation amplitude as decreasing with time are preferred over a constant modulation amplitude at anywhere between 1σ and 3σ , depending on the phenomenological model for the time dependence and the signal energy range considered. A time dependent modulation amplitude is not expected for a dark matter signal, at least for dark matter halo morphologies consistent with the DAMA signal. New data from DAMA/LIBRA-phase2 will certainly aid in determining whether any apparent time dependence is a real effect or a statistical fluctuation.
Improved production of Br atoms near zero speed by photodissociating laser aligned Br2 molecules.
Deng, L Z; Yin, J P
2014-10-28
We theoretically investigated the improvement on the production rate of the decelerated bromine (Br) atoms near zero speed by photodissociating laser aligned Br2 precursors. Adiabatic alignment of Br2 precursors exposed to long laser pulses with duration on the order of nanoseconds was investigated by solving the time-dependent Schrödinger equation. The dynamical fragmentation of adiabatically aligned Br2 precursors was simulated and velocity distribution of the Br atoms produced was analyzed. Our study shows that the larger the degree of the precursor alignment, ⟨cos(2) θ⟩, the higher the production rate of the decelerated Br atoms near zero speed. For Br2 molecules with an initial rotational temperature of ~1 K, a ⟨cos(2) θ⟩ value of ~0.88 can result in an improvement factor of over ~20 on the production rate of the decelerated Br atoms near zero speed, requiring a laser intensity of only ~1 × 10(12) W/cm(2) for alignment.
Adiabatic theorem for the time-dependent wave operator
International Nuclear Information System (INIS)
Viennot, David; Jolicard, Georges; Killingbeck, John P.; Perrin, Marie-Yvonne
2005-01-01
The application of time-dependent wave operator theory to the development of a quantum adiabatic perturbation theory is treated both theoretically and numerically, with emphasis on the description of field-matter interactions which involve short laser pulses. It is first shown that the adiabatic limit of the time-dependent wave operator corresponds to a succession of instantaneous static Bloch wave operators. Wave operator theory is then shown to be compatible with the two-time Floquet theory of light-matter interaction, thus allowing the application of Floquet theory to cases which require the use of a degenerate active space. A numerical study of some problems shows that the perturbation strength associated with nonadiabatic processes can be reduced by using multidimensional active spaces and illustrates the capacity of the wave operator approach to produce a quasiadiabatic treatment of a nominally nonadiabatic Floquet dynamical system
Nonlinear time-dependent simulation of helix traveling wave tubes
International Nuclear Information System (INIS)
Peng Wei-Feng; Yang Zhong-Hai; Hu Yu-Lu; Li Jian-Qing; Lu Qi-Ru; Li Bin
2011-01-01
A one-dimensional nonlinear time-dependent theory for helix traveling wave tubes is studied. A generalized electromagnetic field is applied to the expression of the radio frequency field. To simulate the variations of the high frequency structure, such as the pitch taper and the effect of harmonics, the spatial average over a wavelength is substituted by a time average over a wave period in the equation of the radio frequency field. Under this assumption, the space charge field of the electron beam can be treated by a space charge wave model along with the space charge coefficient. The effects of the radio frequency and the space charge fields on the electrons are presented by the equations of the electron energy and the electron phase. The time-dependent simulation is compared with the frequency-domain simulation for a helix TWT, which validates the availability of this theory. (interdisciplinary physics and related areas of science and technology)
Considerations on assessment of different time depending models adequacy
International Nuclear Information System (INIS)
Constantinescu, C.
2015-01-01
The operating period of nuclear power plants can be prolonged if it can be shown that their safety has remained on a high level, and for this, it is necessary to estimate how the aged systems, structures and components (SSCs) influence the NPP reliability and safety. To emphasize the ageing aspects the case study presented in this paper will assess different time depending models for rate of occurrence of failures with the goal to obtain the best fitting model. A sensitivity analysis for the impact of burn-in failures was performed to improve the result of the goodness of fit test. Based on the analysis results, a conclusion about the existence or the absence of an ageing trend could be developed. A sensitivity analysis regarding of the reliability parameters was performed, and the results were used to observe the impact over the time-dependent rate of occurrence of failures. (authors)
Theoretical information measurement in nonrelativistic time-dependent approach
Najafizade, S. A.; Hassanabadi, H.; Zarrinkamar, S.
2018-02-01
The information-theoretic measures of time-dependent Schrödinger equation are investigated via the Shannon information entropy, variance and local Fisher quantities. In our calculations, we consider the two first states n = 0,1 and obtain the position Sx (t) and momentum Sp (t) Shannon entropies as well as Fisher information Ix (t) in position and momentum Ip (t) spaces. Using the Fourier transformed wave function, we obtain the results in momentum space. Some interesting features of the information entropy densities ρs (x,t) and γs (p,t), as well as the probability densities ρ (x,t) and γ (p,t) for time-dependent states are demonstrated. We establish a general relation between variance and Fisher's information. The Bialynicki-Birula-Mycielski inequality is tested and verified for the states n = 0,1.
Time-dependent generalized Gibbs ensembles in open quantum systems
Lange, Florian; Lenarčič, Zala; Rosch, Achim
2018-04-01
Generalized Gibbs ensembles have been used as powerful tools to describe the steady state of integrable many-particle quantum systems after a sudden change of the Hamiltonian. Here, we demonstrate numerically that they can be used for a much broader class of problems. We consider integrable systems in the presence of weak perturbations which break both integrability and drive the system to a state far from equilibrium. Under these conditions, we show that the steady state and the time evolution on long timescales can be accurately described by a (truncated) generalized Gibbs ensemble with time-dependent Lagrange parameters, determined from simple rate equations. We compare the numerically exact time evolutions of density matrices for small systems with a theory based on block-diagonal density matrices (diagonal ensemble) and a time-dependent generalized Gibbs ensemble containing only a small number of approximately conserved quantities, using the one-dimensional Heisenberg model with perturbations described by Lindblad operators as an example.
Non-Perturbative Formulation of Time-Dependent String Solutions
Alexandre, J; Mavromatos, Nikolaos E; Alexandre, Jean; Ellis, John; Mavromatos, Nikolaos E.
2006-01-01
We formulate here a new world-sheet renormalization-group technique for the bosonic string, which is non-perturbative in the Regge slope alpha' and based on a functional method for controlling the quantum fluctuations, whose magnitudes are scaled by the value of alpha'. Using this technique we exhibit, in addition to the well-known linear-dilaton cosmology, a new, non-perturbative time-dependent background solution. Using the reparametrization invariance of the string S-matrix, we demonstrate that this solution is conformally invariant to alpha', and we give a heuristic inductive argument that conformal invariance can be maintained to all orders in alpha'. This new time-dependent string solution may be applicable to primordial cosmology or to the exit from linear-dilaton cosmology at large times.
Induced voltage due to time-dependent magnetisation textures
International Nuclear Information System (INIS)
Kudtarkar, Santosh Kumar; Dhadwal, Renu
2010-01-01
We determine the induced voltage generated by spatial and temporal magnetisation textures (inhomogeneities) in metallic ferromagnets due to the spin diffusion of non-equilibrium electrons. Using time dependent semi-classical theory as formulated in Zhang and Li and the drift-diffusion model of transport it is shown that the voltage generated depends critically on the difference in the diffusion constants of up and down spins. Including spin relaxation results in a crucial contribution to the induced voltage. We also show that the presence of magnetisation textures results in the modification of the conductivity of the system. As an illustration, we calculate the voltage generated due to a time dependent field driven helimagnet by solving the Landau-Lifshitz equation with Gilbert damping and explicitly calculate the dependence on the relaxation and damping parameters.
Tokamak power reactor ignition and time dependent fractional power operation
International Nuclear Information System (INIS)
Vold, E.L.; Mau, T.K.; Conn, R.W.
1986-06-01
A flexible time-dependent and zero-dimensional plasma burn code with radial profiles was developed and employed to study the fractional power operation and the thermal burn control options for an INTOR-sized tokamak reactor. The code includes alpha thermalization and a time-dependent transport loss which can be represented by any one of several currently popular scaling laws for energy confinement time. Ignition parameters were found to vary widely in density-temperature (n-T) space for the range of scaling laws examined. Critical ignition issues were found to include the extent of confinement time degradation by alpha heating, the ratio of ion to electron transport power loss, and effect of auxiliary heating on confinement. Feedback control of the auxiliary power and ion fuel sources are shown to provide thermal stability near the ignition curve
Time-dependent coupled harmonic oscillators: classical and quantum solutions
International Nuclear Information System (INIS)
Macedo, D.X.; Guedes, I.
2014-01-01
In this work we present the classical and quantum solutions for an arbitrary system of time-dependent coupled harmonic oscillators, where the masses (m), frequencies (ω) and coupling parameter (k) are functions of time. To obtain the classical solutions, we use a coordinate and momentum transformations along with a canonical transformation to write the original Hamiltonian as the sum of two Hamiltonians of uncoupled harmonic oscillators with modified time-dependent frequencies and unitary masses. To obtain the exact quantum solutions we use a unitary transformation and the Lewis and Riesenfeld (LR) invariant method. The exact wave functions are obtained by solving the respective Milne–Pinney (MP) equation for each system. We obtain the solutions for the system with m 1 = m 2 = m 0 e γt , ω 1 = ω 01 e -γt/2 , ω 2 = ω 02 e -γt/2 and k = k 0 . (author)
Time dependent non-extinction probability for prompt critical systems
International Nuclear Information System (INIS)
Gregson, M. W.; Prinja, A. K.
2009-01-01
The time dependent non-extinction probability equation is presented for slab geometry. Numerical solutions are provided for a nested inner/outer iteration routine where the fission terms (both linear and non-linear) are updated and then held fixed over the inner scattering iteration. Time dependent results are presented highlighting the importance of the injection position and angle. The iteration behavior is also described as the steady state probability of initiation is approached for both small and large time steps. Theoretical analysis of the nested iteration scheme is shown and highlights poor numerical convergence for marginally prompt critical systems. An acceleration scheme for the outer iterations is presented to improve convergence of such systems. Theoretical analysis of the acceleration scheme is also provided and the associated decrease in computational run time addressed. (authors)
Transcriptional dynamics with time-dependent reaction rates
Nandi, Shubhendu; Ghosh, Anandamohan
2015-02-01
Transcription is the first step in the process of gene regulation that controls cell response to varying environmental conditions. Transcription is a stochastic process, involving synthesis and degradation of mRNAs, that can be modeled as a birth-death process. We consider a generic stochastic model, where the fluctuating environment is encoded in the time-dependent reaction rates. We obtain an exact analytical expression for the mRNA probability distribution and are able to analyze the response for arbitrary time-dependent protocols. Our analytical results and stochastic simulations confirm that the transcriptional machinery primarily act as a low-pass filter. We also show that depending on the system parameters, the mRNA levels in a cell population can show synchronous/asynchronous fluctuations and can deviate from Poisson statistics.
Transcriptional dynamics with time-dependent reaction rates
International Nuclear Information System (INIS)
Nandi, Shubhendu; Ghosh, Anandamohan
2015-01-01
Transcription is the first step in the process of gene regulation that controls cell response to varying environmental conditions. Transcription is a stochastic process, involving synthesis and degradation of mRNAs, that can be modeled as a birth–death process. We consider a generic stochastic model, where the fluctuating environment is encoded in the time-dependent reaction rates. We obtain an exact analytical expression for the mRNA probability distribution and are able to analyze the response for arbitrary time-dependent protocols. Our analytical results and stochastic simulations confirm that the transcriptional machinery primarily act as a low-pass filter. We also show that depending on the system parameters, the mRNA levels in a cell population can show synchronous/asynchronous fluctuations and can deviate from Poisson statistics. (paper)
Student understanding of time dependence in quantum mechanics
Directory of Open Access Journals (Sweden)
Paul J. Emigh
2015-09-01
Full Text Available [This paper is part of the Focused Collection on Upper Division Physics Courses.] The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing the key role of the energy eigenbasis in determining the time dependence of wave functions. Through analysis of student responses to a set of four interrelated tasks, we categorize some of the difficulties that underlie common errors. The conceptual and reasoning difficulties that have been identified are illustrated through student responses to four sets of questions administered at different points in a junior-level course on quantum mechanics. Evidence is also given that the problems persist throughout undergraduate instruction and into the graduate level.
Time-dependent phase error correction using digital waveform synthesis
Doerry, Armin W.; Buskirk, Stephen
2017-10-10
The various technologies presented herein relate to correcting a time-dependent phase error generated as part of the formation of a radar waveform. A waveform can be pre-distorted to facilitate correction of an error induced into the waveform by a downstream operation/component in a radar system. For example, amplifier power droop effect can engender a time-dependent phase error in a waveform as part of a radar signal generating operation. The error can be quantified and an according complimentary distortion can be applied to the waveform to facilitate negation of the error during the subsequent processing of the waveform. A time domain correction can be applied by a phase error correction look up table incorporated into a waveform phase generator.
Exact wavefunctions for a time-dependent Coulomb potential
International Nuclear Information System (INIS)
Menouar, S; Maamache, M; Saadi, Y; Choi, J R
2008-01-01
The one-dimensional Schroedinger equation associated with a time-dependent Coulomb potential is studied. The invariant operator method (Lewis and Riesenfeld) and unitary transformation approach are employed to derive quantum solutions of the system. We obtain an ordinary second-order differential equation whose analytical exact solution has been unknown. It is confirmed that the form of this equation is similar to the radial Schroedinger equation for the hydrogen atom in a (arbitrary) strong magnetic field. The qualitative properties for the eigenstates spectrum are described separately for the different values of the parameter ω 0 appearing in the x 2 term, x being the position, i.e., ω 0 > 0, ω 0 0 = 0. For the ω 0 = 0 case, the eigenvalue equation of invariant operator reduces to a solvable form and, consequently, we have provided exact eigenstates of the time-dependent Hamiltonian system
Spectral methods for time dependent partial differential equations
Gottlieb, D.; Turkel, E.
1983-01-01
The theory of spectral methods for time dependent partial differential equations is reviewed. When the domain is periodic Fourier methods are presented while for nonperiodic problems both Chebyshev and Legendre methods are discussed. The theory is presented for both hyperbolic and parabolic systems using both Galerkin and collocation procedures. While most of the review considers problems with constant coefficients the extension to nonlinear problems is also discussed. Some results for problems with shocks are presented.
Time-dependent crack growth and fracture in concrete
International Nuclear Information System (INIS)
Zhou Fan Ping.
1992-02-01
The objectives of this thesis are to study time-dependent fracture behaviour in concrete. The thesis consists of an experimental study, costitutive modelling and numerical analysis. The experimental study was undertaken to investigate the influences of time on material properties for the fracture process zone and on crack growth and fracture in plain concrete structures. The experiments include tensile relaxation tests, bending tests on notched beams to determine fracture energy at varying deflection rates, and sustained bending and compact tensile tests. From the tensile relaxation tests, the envelope of the σ-w relation does not seem to be influenced by holding periods, though some local detrimental effect does occur. Fracture energy seems to decrease as rates become slower. In the sustained loading tests, deformation (deflection or CMOD) growth curves display three stages, as usually observed in a creep rupture test. The secondary stage dominates the whole failure lifetime, and the secondary deformation rate appears to have good correlation with the failure lifetime. A crack model for time-dependent fracture is proposed, by applying the idea of the Fictitious Crack Model. In this model, a modified Maxwell model is introduced for the fracture process zone incorporated with the static σ-w curve as a failure criterion, based on the observation of the tensile relaxation tests. The time-dependent σ-w curve is expressed in an incremental law. The proposed model has been implemented in a finite element program and applied to simulating sustained flexural and compact tensile tests. Numerical analysis includes simulations of crack growth, load-CMOD curves, stress-failure lifetime curves, size effects on failure life etc. The numerical results indicate that the model seems to be able to properly predict the main features of time-dependent fracture behaviour in concrete, as compared with the experimental results. 97 refs
Time-dependent histamine release from stored human blood products
DEFF Research Database (Denmark)
Nielsen, Hans Jørgen; Edvardsen, L; Vangsgaard, K
1996-01-01
.0 (range 176.0-910.0) nmol/l in whole blood and 475.0 (range 360.0-1560.0) nmol/l in plasma-reduced whole blood, while it was undetectable in SAGM blood. Spontaneous histamine release increased in a time-dependent manner from a median of 6.7 (range 2.2-17.4) nmol/l at the time of storage to 175.0 (range 33...
Distributed Scheduling in Time Dependent Environments: Algorithms and Analysis
Shmuel, Ori; Cohen, Asaf; Gurewitz, Omer
2017-01-01
Consider the problem of a multiple access channel in a time dependent environment with a large number of users. In such a system, mostly due to practical constraints (e.g., decoding complexity), not all users can be scheduled together, and usually only one user may transmit at any given time. Assuming a distributed, opportunistic scheduling algorithm, we analyse the system's properties, such as delay, QoS and capacity scaling laws. Specifically, we start with analyzing the performance while \\...
Relating Time-Dependent Acceleration and Height Using an Elevator
Kinser, Jason M.
2015-01-01
A simple experiment in relating a time-dependent linear acceleration function to height is explored through the use of a smartphone and an elevator. Given acceleration as a function of time, a(t), the velocity function and position functions are determined through integration as in v(t)=? a(t) dt (1) and x(t)=? v(t) dt. Mobile devices such as…
Time dependence of the pH of rain
John A. Kadlecek; Volkar A. Mohnen
1976-01-01
Standard procedures for determining the pH of rain samples usually involve substantial delays from the time of rainfall to the time of analysis. This assumes that no change in pH occurs during the storage period. We have found that this is not always true. We have determined that individual rain water samples possess a time dependent pH which can be correlated with the...
Analysis of multimedian problems on time dependent networks
Salman, F Sibel
1994-01-01
Ankara : The Department of Industrial Engineering and the Institute of Enginering and Science of Bilkent Univ., 1994. Thesis (Master's) -- Bilkent University, 1994. Includes bibliographical references leaves 81-85. Time dependency arises in transportation and computer-communication networks due to factors such as time varying demand, traffic intensity, and road conditions. This necessitates a locational decision to be based on an analysis involving a time horizon. In this st...
Time-dependent effects of cardiovascular exercise on memory
DEFF Research Database (Denmark)
Roig, Marc; Thomas, Richard; Mang, Cameron S
2016-01-01
We present new evidence supporting the hypothesis that the effects of cardiovascular exercise on memory can be regulated in a time-dependent manner. When the exercise stimulus is temporally coupled with specific phases of the memory formation process, a single bout of cardiovascular exercise may...... be sufficient to improve memory. SUMMARY: The timing of exercise in relation to the information to be remembered is critical to maximize the effects of acute cardiovascular exercise on memory....
Time dependent temperature distribution in pulsed Ti:sapphire lasers
Buoncristiani, A. Martin; Byvik, Charles E.; Farrukh, Usamah O.
1988-01-01
An expression is derived for the time dependent temperature distribution in a finite solid state laser rod for an end-pumped beam of arbitrary shape. The specific case of end pumping by circular (constant) or Gaussian beam is described. The temperature profile for a single pump pulse and for repetitive pulse operation is discussed. The particular case of the temperature distribution in a pulsed titanium:sapphire rod is considered.
Time-dependent diffusive acceleration of test particles at shocks
Energy Technology Data Exchange (ETDEWEB)
Drury, L.O' C. (Dublin Inst. for Advanced Studies (Ireland))
1991-07-15
The acceleration of test particles at a steady plane non-relativistic shock is considered. Analytic expressions are found for the mean and the variance of the acceleration time distribution in the case where the diffusion coefficient has an arbitrary dependence on position and momentum. These expressions are used as the basis for an approximation scheme which is shown, by comparison with numerical solutions, to give an excellent representation of the time-dependent spectrum. (author).
Time-dependent diffusive acceleration of test particles at shocks
International Nuclear Information System (INIS)
Drury, L.O'C.
1991-01-01
The acceleration of test particles at a steady plane non-relativistic shock is considered. Analytic expressions are found for the mean and the variance of the acceleration time distribution in the case where the diffusion coefficient has an arbitrary dependence on position and momentum. These expressions are used as the basis for an approximation scheme which is shown, by comparison with numerical solutions, to give an excellent representation of the time-dependent spectrum. (author)
Stochastic Landau equation with time-dependent drift
International Nuclear Information System (INIS)
Swift, J.B.; Hohenberg, P.C.; Ahlers, G.
1991-01-01
The stochastic differential equation τ 0 ∂ tA =ε(t)A-g 3 A 3 +bar f(t), where bar f(t) is Gaussian white noise, is studied for arbitrary time dependence of ε(t). In particular, cases are considered where ε(t) goes through the bifurcation of the deterministic system, which occurs at ε=0. In the limit of weak noise an approximate analytic expression generalizing earlier work of Suzuki [Phys. Lett. A 67, 339 (1978); Prog. Theor. Phys. (Kyoto) Suppl. 64, 402 (1978)] is obtained for the time-dependent distribution function P(A,t). The results compare favorably with a numerical simulation of the stochastic equation for the case of a linear ramp (both increasing and decreasing) and for a periodic time dependence of ε(t). The procedure can be generalized to an arbitrary deterministic part ∂ tA =D(A,t)+bar f(t), but the deterministic equation may then have to be solved numerically
Algebraic time-dependent variational approach to dynamical calculations
International Nuclear Information System (INIS)
Shi, S.; Rabitz, H.
1988-01-01
A set of time-dependent basis states is obtained with a group of unitary transformations generated by a Lie algebra. Applying the time-dependent variational principle to the trial function subspace constructed from the linear combination of the time-dependent basis states gives rise to a set of ''classical'' equations of motion for the group parameters and the expansion coefficients from which the time evolution of the system state can be determined. The formulation is developed for a general Lie algebra as well as for the commonly encountered algebra containing homogeneous polynominal products of the coordinate Q and momentum P operators (or equivalently the boson creation a/sup dagger/ and annihilation a operators) of order 0, 1, and 2. Explicit expressions for the transition amplitudes are derived by virtue of the cannonical transformation properties of the unitary transformation. The applicability of the present formalism in a variety of problems is implied by two illustrative examples: (a) a parametric amplifier; (b) the collinear collision of an atom with a Morse oscillator
General time-dependent formulation of quantum scattering theory
International Nuclear Information System (INIS)
Althorpe, Stuart C.
2004-01-01
We derive and explain the key ideas behind a time-dependent formulation of quantum scattering theory, applicable generally to systems with a finite-range scattering potential. The scattering is initiated and probed by plane wave packets, which are localized just outside the range of the potential. The asymptotic limits of conventional scattering theory (initiation in the remote past; detection in the remote future) are not taken. Instead, the differential cross section (DCS) is obtained by projecting the scattered wave packet onto the probe plane wave packets. The projection also yields a time-dependent version of the DCS. Cuts through the wave packet, just as it exits the scattering potential, yield time-dependent and time-independent angular distributions that give a close-up picture of the scattering which complements the DCS. We have previously applied the theory to interpret experimental cross sections of chemical reactions [e.g., S. C. Althorpe, F. Fernandez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature (London) 416, 67 (2002)]. This paper gives the derivation of the theory, and explains its relation to conventional scattering theory. For clarity, the derivation is restricted to spherical-particle scattering, though it may readily be extended to general multichannel systems. We illustrate the theory using a simple application to hard-sphere scattering
Neutrino flavor instabilities in a time-dependent supernova model
Directory of Open Access Journals (Sweden)
Sajad Abbar
2015-12-01
Full Text Available A dense neutrino medium such as that inside a core-collapse supernova can experience collective flavor conversion or oscillations because of the neutral-current weak interaction among the neutrinos. This phenomenon has been studied in a restricted, stationary supernova model which possesses the (spatial spherical symmetry about the center of the supernova and the (directional axial symmetry around the radial direction. Recently it has been shown that these spatial and directional symmetries can be broken spontaneously by collective neutrino oscillations. In this letter we analyze the neutrino flavor instabilities in a time-dependent supernova model. Our results show that collective neutrino oscillations start at approximately the same radius in both the stationary and time-dependent supernova models unless there exist very rapid variations in local physical conditions on timescales of a few microseconds or shorter. Our results also suggest that collective neutrino oscillations can vary rapidly with time in the regimes where they do occur which need to be studied in time-dependent supernova models.
Nonequilibrium quantum solvation with a time-dependent Onsager cavity
Kirchberg, H.; Nalbach, P.; Thorwart, M.
2018-04-01
We formulate a theory of nonequilibrium quantum solvation in which parameters of the solvent are explicitly depending on time. We assume in a simplest approach a spherical molecular Onsager cavity with a time-dependent radius. We analyze the relaxation properties of a test molecular point dipole in a dielectric solvent and consider two cases: (i) a shrinking Onsager sphere and (ii) a breathing Onsager sphere. Due to the time-dependent solvent, the frequency-dependent response function of the dipole becomes time-dependent. For a shrinking Onsager sphere, the dipole relaxation is in general enhanced. This is reflected in a temporally increasing linewidth of the absorptive part of the response. Furthermore, the effective frequency-dependent response function shows two peaks in the absorptive part which are symmetrically shifted around the eigenfrequency. By contrast, a breathing sphere reduces damping as compared to the static sphere. Interestingly, we find a non-monotonous dependence of the relaxation rate on the breathing rate and a resonant suppression of damping when both rates are comparable. Moreover, the linewidth of the absorptive part of the response function is strongly reduced for times when the breathing sphere reaches its maximal extension.
Neutrino flavor instabilities in a time-dependent supernova model
Energy Technology Data Exchange (ETDEWEB)
Abbar, Sajad; Duan, Huaiyu, E-mail: duan@unm.edu
2015-12-17
A dense neutrino medium such as that inside a core-collapse supernova can experience collective flavor conversion or oscillations because of the neutral-current weak interaction among the neutrinos. This phenomenon has been studied in a restricted, stationary supernova model which possesses the (spatial) spherical symmetry about the center of the supernova and the (directional) axial symmetry around the radial direction. Recently it has been shown that these spatial and directional symmetries can be broken spontaneously by collective neutrino oscillations. In this letter we analyze the neutrino flavor instabilities in a time-dependent supernova model. Our results show that collective neutrino oscillations start at approximately the same radius in both the stationary and time-dependent supernova models unless there exist very rapid variations in local physical conditions on timescales of a few microseconds or shorter. Our results also suggest that collective neutrino oscillations can vary rapidly with time in the regimes where they do occur which need to be studied in time-dependent supernova models.
Time-dependent fatigue--phenomenology and life prediction
International Nuclear Information System (INIS)
Coffin, L.F.
1979-01-01
The time-dependent fatigue behavior of materials used or considered for use in present and advanced systems for power generation is outlined. A picture is first presented to show how basic mechanisms and phenomenological information relate to the performance of the component under consideration through the so-called local strain approach. By this means life prediction criteria and design rules can be formulated utilizing laboratory test information which is directly translated to predicting the performance of a component. The body of phenomenological information relative to time-dependent fatigue is reviewed. Included are effects of strain range, strain rate and frequency, environment and wave shape, all of which are shown to be important in developing both an understanding and design base for time dependent fatigue. Using this information, some of the current methods being considered for the life prediction of components are reviewed. These include the current ASME code case, frequency-modified fatigue equations, strain range partitioning, the damage function method, frequency separation and damage rate equations. From this review, it is hoped that a better perspective on future directions for basic material science at high temperature can be achieved
Time-Dependent-Asymmetric-Linear-Parsimonious Ancestral State Reconstruction.
Didier, Gilles
2017-10-01
The time-dependent-asymmetric-linear parsimony is an ancestral state reconstruction method which extends the standard linear parsimony (a.k.a. Wagner parsimony) approach by taking into account both branch lengths and asymmetric evolutionary costs for reconstructing quantitative characters (asymmetric costs amount to assuming an evolutionary trend toward the direction with the lowest cost). A formal study of the influence of the asymmetry parameter shows that the time-dependent-asymmetric-linear parsimony infers states which are all taken among the known states, except for some degenerate cases corresponding to special values of the asymmetry parameter. This remarkable property holds in particular for the Wagner parsimony. This study leads to a polynomial algorithm which determines, and provides a compact representation of, the parametric reconstruction of a phylogenetic tree, that is for all the unknown nodes, the set of all the possible reconstructed states associated with the asymmetry parameters leading to them. The time-dependent-asymmetric-linear parsimony is finally illustrated with the parametric reconstruction of the body size of cetaceans.
Single photon excimer laser photodissociation of highly vibrationally excited polyatomic molecules
International Nuclear Information System (INIS)
Tiee, J.J.; Wampler, F.B.; Rice, W.W.
1980-01-01
The ir + uv photodissociation of SF 6 has been performed using CO 2 and ArF lasers. The two-color photolysis significantly enhances the photodissociation process over ArF irradiation alone and is found to preserve the initial isotopic specificity of the ir excitation process
Progress Report on Alloy 617 Time Dependent Allowables
Energy Technology Data Exchange (ETDEWEB)
Wright, Julie Knibloe [Idaho National Lab. (INL), Idaho Falls, ID (United States)
2015-06-01
Time dependent allowable stresses are required in the ASME Boiler and Pressure Vessel Code for design of components in the temperature range where time dependent deformation (i.e., creep) is expected to become significant. There are time dependent allowable stresses in Section IID of the Code for use in the non-nuclear construction codes, however, there are additional criteria that must be considered in developing time dependent allowables for nuclear components. These criteria are specified in Section III NH. St is defined as the lesser of three quantities: 100% of the average stress required to obtain a total (elastic, plastic, primary and secondary creep) strain of 1%; 67% of the minimum stress to cause rupture; and 80% of the minimum stress to cause the initiation of tertiary creep. The values are reported for a range of temperatures and for time increments up to 100,000 hours. These values are determined from uniaxial creep tests, which involve the elevated temperature application of a constant load which is relatively small, resulting in deformation over a long time period prior to rupture. The stress which is the minimum resulting from these criteria is the time dependent allowable stress St. In this report data from a large number of creep and creep-rupture tests on Alloy 617 are analyzed using the ASME Section III NH criteria. Data which are used in the analysis are from the ongoing DOE sponsored high temperature materials program, form Korea Atomic Energy Institute through the Generation IV VHTR Materials Program and historical data from previous HTR research and vendor data generated in developing the alloy. It is found that the tertiary creep criterion determines St at highest temperatures, while the stress to cause 1% total strain controls at low temperatures. The ASME Section III Working Group on Allowable Stress Criteria has recommended that the uncertainties associated with determining the onset of tertiary creep and the lack of significant
Intracluster superelastic scattering via sequential photodissociation in small HI clusters
International Nuclear Information System (INIS)
Chastaing, D.; Underwood, J.; Wittig, C.
2003-01-01
The photodissociation of expansion-cooled HI monomer by using 266 nm radiation yields H atoms having 12 830 and 5287 cm-1 of translational energy in the HI center-of-mass system for the I( 2 P 3/2 ) and I( 2 P 1/2 ) (i.e., I and I * , respectively) co-fragments. Irradiating HI clusters [i.e., (HI) n , with n=2 being the dominant cluster] with 266 nm radiation produces, among other things, some H atoms whose translational energies are peaked at 20 285 cm-1, which is 7455 cm-1 higher in energy than the more energetic of the monomer peaks. These very fast H atoms arise from sequential photodissociation within the clusters. Namely, a weakly bound I*·(HI) n-1 complex is first created by the photodissociation of an HI moiety within (HI) n , and then the photodissociation of a second HI moiety [within I*·(HI) n-1 ] produces a fast H atom that scatters from the nearby I*, in some cases deactivating it in the process. Thus, the latter superelastically scattered H atom acquires, as translational energy, nearly all of the I* energy (7603 cm-1). For example, for the dimer, the first dissociation event, (HI) 2 +hv→H+I(I*)·HI, is followed by I*·HI+hv→H superelastic +I-I. High quality potentials for the relevant HI excited states have been calculated recently, and coupling between 3 Π 0 + (which correlates with I * ) and 1 Π (which correlates with I) has been shown to be due to spin-rotation interaction. There is a high degree of separability between the photodissociation of the second HI moiety and the subsequent H+I * scattering (within a given cluster). This is due mainly to the shape of the 3 Π 0 + potential; specifically, it has a shallow well that persists to small r. The shape of the 3 Π 0 + potential is influenced by relativity; i.e., strong spin-orbit coupling maintains the I* spherical electron density to relatively small r. The 3 Π 0 + → 1 Π transition probabilities are calculated for H+I * collisions having different values of the collisional orbital
Laser photodissociation and spectroscopy of mass-separated biomolecular ions
Polfer, Nicolas C
2014-01-01
This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light. The methods described in the book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" make use of the fact that the discrete energy and fast time scale of photoexcitation can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. Th
Vacuum ultraviolet photoionization and photodissociation of polyatomic molecules and radicals
Energy Technology Data Exchange (ETDEWEB)
Ng, C.Y. [Iowa State Univ., Ames (United States)
1993-12-01
In the past decade, tremendous progress has been made in understanding the photodissociation (PD) dynamics of triatomic molecules. However, the PD study of radicals, especially polyatomic radicals, has remained essentially an unexplored research area. Detailed state-to-state PD cross sections for radicals in the UV and VUV provide challenges not only for dynamical calculations, but also for ab initio quantum chemical studies. The authors have developed a laser based pump-probe apparatus for the measurement of absolute PD cross sections for CH{sub 3}S and HS is summarized.
Decision making in noisy bistable systems with time-dependent asymmetry
Nené, Nuno R.; Zaikin, Alexey
2013-01-01
Our work draws special attention to the importance of the effects of time-dependent parameters on decision making in bistable systems. Here, we extend previous studies of the mechanism known as speed-dependent cellular decision making in genetic circuits by performing an analytical treatment of the canonical supercritical pitchfork bifurcation problem with an additional time-dependent asymmetry and control parameter. This model has an analogous behavior to the genetic switch. In the presence of transient asymmetries and fluctuations, slow passage through the critical region in both systems increases substantially the probability of specific decision outcomes. We also study the relevance for attractor selection of reaching maximum values for the external asymmetry before and after the critical region. Overall, maximum asymmetries should be reached at an instant where the position of the critical point allows for compensation of the detrimental effects of noise in retaining memory of the transient asymmetries.
A Bimodal Hybrid Model for Time-Dependent Probabilistic Seismic Hazard Analysis
Yaghmaei-Sabegh, Saman; Shoaeifar, Nasser; Shoaeifar, Parva
2018-03-01
The evaluation of evidence provided by geological studies and historical catalogs indicates that in some seismic regions and faults, multiple large earthquakes occur in cluster. Then, the occurrences of large earthquakes confront with quiescence and only the small-to-moderate earthquakes take place. Clustering of large earthquakes is the most distinguishable departure from the assumption of constant hazard of random occurrence of earthquakes in conventional seismic hazard analysis. In the present study, a time-dependent recurrence model is proposed to consider a series of large earthquakes that occurs in clusters. The model is flexible enough to better reflect the quasi-periodic behavior of large earthquakes with long-term clustering, which can be used in time-dependent probabilistic seismic hazard analysis with engineering purposes. In this model, the time-dependent hazard results are estimated by a hazard function which comprises three parts. A decreasing hazard of last large earthquake cluster and an increasing hazard of the next large earthquake cluster, along with a constant hazard of random occurrence of small-to-moderate earthquakes. In the final part of the paper, the time-dependent seismic hazard of the New Madrid Seismic Zone at different time intervals has been calculated for illustrative purpose.
Characterizing time-dependent mechanics in metallic MEMS
Directory of Open Access Journals (Sweden)
Geers M.G.D.
2010-06-01
Full Text Available Experiments for characterization of time-dependent material properties in free-standing metallic microelectromechanical system (MEMS pose challenges: e.g. fabrication and handling (sub-μm sized specimens, control and measurement of sub-μN loads and sub-μm displacements over long periods and various temperatures [1]. A variety of experimental setups have been reported each having their pros and cons. One example is a micro-tensile tester with an ingenious electro-static specimen gripping system [2] aiding simple specimen design giving good results at μN and sub-μm levels, but without in-situ full-field observations. Other progressive examples assimilate the specimen, MEMS actuators and load cells on a single chip [3,4] yielding significant results at nN and nm levels with in-situ TEM/SEM observability, though not without complications: complex load actuator/sensor calibration per chip, measures to reduce fabrication failure and unfeasible cofabrication on wafers with commercial metallic MEMS. This work aims to overcome these drawbacks by developing experimental methods with high sensitivity, precision and in-situ full-field observation capabilities. Moreover, these should be applicable to simple free-standing metallic MEMS that can be co-fabricated with commercial devices. These methods will then serve in systematic studies into size-effects in time-dependent material properties. First a numeric-experimental method is developed. It characterizes bending deformation of onwafer μm-sized aluminum cantilevers. A specially designed micro-clamp is used to mechanically apply a constant precise deflection of the beam (zres <50 nm for a prolonged period, see fig. 1. After this period, the deflection by the micro-clamp is removed. Full-field height maps with the ensuing deformation are measured over time with confocal optical profilometry (COP. This yields the tip deflection as function of time with ~3 nm precision, see fig.2. To extract material
Time-Dependent Neutron and Photon Dose-Field Analysis
Energy Technology Data Exchange (ETDEWEB)
Wooten, Hasani Omar [Georgia Inst. of Technology, Atlanta, GA (United States)
2005-08-01
A unique tool is developed that allows the user to model physical representations of complicated glovebox facilities in two dimensions and determine neutral-particle flux and ambient dose-equivalent fields throughout that geometry. The Pandemonium code, originally designed to determine flux and dose-rates only, is improved to include realistic glovebox geometries, time-dependent source and detector positions, time-dependent shielding thickness calculations, time-integrated doses, a representative criticality accident scenario based on time-dependent reactor kinetics, and more rigorous photon treatment. A primary benefit of this work has been an extensive analysis and improvement of the photon model that is not limited to the application described in this thesis. The photon model has been extended in energy range to 10 MeV to include photons from fission and new photon buildup factors have been included that account for the effects of photon buildup at slant-path thicknesses as a function of angle, where the mean free path thickness has been preserved. The overall system of codes is user-friendly and it is directly applicable to facilities such as the plutonium facility at Los Alamos National Laboratory, where high-intensity neutron and photon emitters are regularly used. The codes may be used to determine a priori doses for given work scenarios in an effort to supply dose information to process models which will in turn assist decision makers on ensuring as low as reasonably achievable (ALARA) compliance. In addition, coupling the computational results of these tools with the process model visualization tools will help to increase worker safety and radiological safety awareness.
Time Dependent Hartree Fock Equation: Gateway to Nonequilibrium Plasmas
International Nuclear Information System (INIS)
Dufty, James W.
2007-01-01
This is the Final Technical Report for DE-FG02-2ER54677 award 'Time Dependent Hartree Fock Equation - Gateway to Nonequilibrium Plasmas'. Research has focused on the nonequilibrium dynamics of electrons in the presence of ions, both via basic quantum theory and via semi-classical molecular dynamics (MD) simulation. In addition, fundamental notions of dissipative dynamics have been explored for models of grains and dust, and for scalar fields (temperature) in turbulent edge plasmas. The specific topics addressed were Quantum Kinetic Theory for Metallic Clusters, Semi-classical MD Simulation of Plasmas , and Effects of Dissipative Dynamics.
Noether symmetries and integrability in time-dependent Hamiltonian mechanics
Directory of Open Access Journals (Sweden)
Jovanović Božidar
2016-01-01
Full Text Available We consider Noether symmetries within Hamiltonian setting as transformations that preserve Poincaré-Cartan form, i.e., as symmetries of characteristic line bundles of nondegenerate 1-forms. In the case when the Poincaré-Cartan form is contact, the explicit expression for the symmetries in the inverse Noether theorem is given. As examples, we consider natural mechanical systems, in particular the Kepler problem. Finally, we prove a variant of the theorem on complete (non-commutative integrability in terms of Noether symmetries of time-dependent Hamiltonian systems.
Time-dependent asymmetries in Bs decays at LHCb
Blouw, Johan
2007-01-01
The LHCb experiment will search for New Physics in Bs mixing. The Bs mixing phase will be extracted from the measurement of the time-dependent CP asymmetry in exclusive Bs decays governed by the $b \\to c\\bar{c}s$ quark level transition. Large New Physics effects can be discovered or excluded with the data collected during the very first physics run of LHC. Based on Monte Carlo simulations of the LHCb detector, the expected sensitivity with 2 fb$^{-1}$ on the CP-violation parameter $\\phi_s$, is $\\sigma(\\phi_s)$ = 0.022.
Signal restoration for NMR imaging using time-dependent gradients
International Nuclear Information System (INIS)
Frahm, J.; Haenicke, W.
1984-01-01
NMR imaging experiments that employ linear but time-dependent gradients for encoding spatial information in the time-domain signals result in distorted images when treated with conventional image reconstruction techniques. It is shown here that the phase and amplitude distortions can be entirely removed if the timeshape of the gradient is known. The method proposed is of great theoretical and experimental simplicity. It consists of a retransformation of the measured time-domain signal and corresponds to synchronisation of the signal sampling with the time-development of the gradient field strength. The procedure complements other treatments of periodically oscillating gradients in NMR imaging. (author)
Frictional Heating with Time-Dependent Specific Power of Friction
Directory of Open Access Journals (Sweden)
Topczewska Katarzyna
2017-06-01
Full Text Available In this paper analytical solutions of the thermal problems of friction were received. The appropriate boundary-value problems of heat conduction were formulated and solved for a homogeneous semi–space (a brake disc heated on its free surface by frictional heat fluxes with different and time-dependent intensities. Solutions were obtained in dimensionless form using Duhamel's theorem. Based on received solutions, evolution and spatial distribution of the dimensionless temperature were analyzed using numerical methods. The numerical results allowed to determine influence of the time distribution of friction power on the spatio-temporal temperature distribution in brake disc.
Perspective: Fundamental aspects of time-dependent density functional theory
Energy Technology Data Exchange (ETDEWEB)
Maitra, Neepa T. [Department of Physics and Astronomy, Hunter College and the Physics Program at the Graduate Center of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States)
2016-06-14
In the thirty-two years since the birth of the foundational theorems, time-dependent density functional theory has had a tremendous impact on calculations of electronic spectra and dynamics in chemistry, biology, solid-state physics, and materials science. Alongside the wide-ranging applications, there has been much progress in understanding fundamental aspects of the functionals and the theory itself. This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.
Time-dependent coolant velocity measurements in an operating BWR
International Nuclear Information System (INIS)
Luebbesmeyer, D.; Crowe, R.D.
1980-01-01
A method to measure time-dependent fluid velocities in BWR-bundle elements by noise analysis of the incore-neutron-detector signals is shown. Two application examples of the new method are given. The time behaviour of the fluid velocity in the bundle element during a scheduled power excursion of the plant. The change of power was performed by changing the coolant flow through the core The apparent change of the fluid velocity due to thermal elongation of the helix-drive of the TIP-system. A simplified mathematical model was derived for this elongation to use as a reference to check the validity of the new method. (author)
Optimal moving grids for time-dependent partial differential equations
Wathen, A. J.
1992-01-01
Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of PDE solutions in the least-squares norm are reported.
Scattering theory for explicitely time-dependent interactions
International Nuclear Information System (INIS)
Perusch, M.
1982-01-01
Multiple ionization of hydrogen atoms has got increased attention in recent years in connection with high-power lasers. Due to the strong external electromagnetic fields, perturbation theory is no longer valid. The expression for the multiple ionization probability contains the projections of the time-dependent Hamilton operators and the Moeller operators. The main point of the present work is a proof of existence and completeness of the Moeller operators. The proof of existence and completeness is given. The final chapter contains a physical interpretation and discussion of the multiple ionization probability. (G.Q.)
Shapes and dynamics from the time-dependent mean field
International Nuclear Information System (INIS)
Stevenson, P.D.; Goddard, P.M.; Rios, A.
2015-01-01
Explaining observed properties in terms of underlying shape degrees of freedom is a well-established prism with which to understand atomic nuclei. Self-consistent mean-field models provide one tool to understand nuclear shapes, and their link to other nuclear properties and observables. We present examples of how the time-dependent extension of the mean-field approach can be used in particular to shed light on nuclear shape properties, particularly looking at the giant resonances built on deformed nuclear ground states, and at dynamics in highly-deformed fission isomers. Example calculations are shown of 28 Si in the first case, and 240 Pu in the latter case
Time-dependent density-functional theory concepts and applications
Ullrich, Carsten A
2011-01-01
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost.This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a s
MINARET: Towards a time-dependent neutron transport parallel solver
International Nuclear Information System (INIS)
Baudron, A.M.; Lautard, J.J.; Maday, Y.; Mula, O.
2013-01-01
We present the newly developed time-dependent 3D multigroup discrete ordinates neutron transport solver that has recently been implemented in the MINARET code. The solver is the support for a study about computing acceleration techniques that involve parallel architectures. In this work, we will focus on the parallelization of two of the variables involved in our equation: the angular directions and the time. This last variable has been parallelized by a (time) domain decomposition method called the para-real in time algorithm. (authors)
On particle creation by a time-dependent scalar field
International Nuclear Information System (INIS)
Dolgov, A.D.; Kirilova, D.P.
1989-01-01
The probability of particles creation by a homogeneous scalar field Χ (t) is calculated. Explicit analytical expressions are obtained in two limiting cases in the quasiclassical approximation and in the framework of perturbation theory. In the case when the mass of the created particles is defined by the time-dependent field Χ (t) according to the expression g Χ (t) Ψ-barΨ, where Χ (t) =Χ 0 cos (ωt), it is shown that the creation probability is suppresed not exponentially, but as ω 1/2 . Some cosmological consequences of the results are discussed. 13 refs
Filter frequency response of time dependent signal using Laplace transform
Energy Technology Data Exchange (ETDEWEB)
Shestakov, Aleksei I. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2018-01-16
We analyze the effect a filter has on a time dependent signal x(t). If X(s) is the Laplace transform of x and H (s) is the filter Transfer function, the response in frequency space is X (s) H (s). Consequently, in real space, the response is the convolution (x*h) (t), where hi is the Laplace inverse of H. Effects are analyzed and analytically for functions such as (t/t_{c})^{2} e^{-t/t$_c$}, where t_{c} = const. We consider lowpass, highpass and bandpass filters.
Time-Dependent Mean-Field Games with Logarithmic Nonlinearities
Gomes, Diogo A.; Pimentel, Edgard
2015-01-01
In this paper, we prove the existence of classical solutions for time-dependent mean-field games with a logarithmic nonlinearity and subquadratic Hamiltonians. Because the logarithm is unbounded from below, this nonlinearity poses substantial mathematical challenges that have not been addressed in the literature. Our result is proven by recurring to a delicate argument which combines Lipschitz regularity for the Hamilton-Jacobi equation with estimates for the nonlinearity in suitable Lebesgue spaces. Lipschitz estimates follow from an application of the nonlinear adjoint method. These are then combined with a priori bounds for solutions of the Fokker-Planck equation and a concavity argument for the nonlinearity.
Evaluation of design safety factors for time-dependent buckling
International Nuclear Information System (INIS)
Stone, C.M.; Nickell, R.E.
1977-02-01
The ASME Boiler and Pressure Vessel Code rules concerning time-dependent (creep) buckling for Class 1 nuclear components have recently been changed. Previous requirements for a factor of ten on service life have been replaced with a factor of safety of 1.5 on loading for load-controlled buckling. This report examines the supposed equivalence of the two rules from the standpoint of materials behavior--specifically, the secondary creep strain rate exponent. The comparison is made using results obtained numerically for an axially-loaded, cylindrical shell with varying secondary creep exponents. A computationally efficient scheme for analyzing creep buckling problems is also presented
Fitting a function to time-dependent ensemble averaged data
DEFF Research Database (Denmark)
Fogelmark, Karl; Lomholt, Michael A.; Irbäck, Anders
2018-01-01
Time-dependent ensemble averages, i.e., trajectory-based averages of some observable, are of importance in many fields of science. A crucial objective when interpreting such data is to fit these averages (for instance, squared displacements) with a function and extract parameters (such as diffusion...... method, weighted least squares including correlation in error estimation (WLS-ICE), to particle tracking data. The WLS-ICE method is applicable to arbitrary fit functions, and we provide a publically available WLS-ICE software....
Time-Dependent Mean-Field Games with Logarithmic Nonlinearities
Gomes, Diogo A.
2015-10-06
In this paper, we prove the existence of classical solutions for time-dependent mean-field games with a logarithmic nonlinearity and subquadratic Hamiltonians. Because the logarithm is unbounded from below, this nonlinearity poses substantial mathematical challenges that have not been addressed in the literature. Our result is proven by recurring to a delicate argument which combines Lipschitz regularity for the Hamilton-Jacobi equation with estimates for the nonlinearity in suitable Lebesgue spaces. Lipschitz estimates follow from an application of the nonlinear adjoint method. These are then combined with a priori bounds for solutions of the Fokker-Planck equation and a concavity argument for the nonlinearity.
Time-dependent Kohn-Sham approach to quantum electrodynamics
International Nuclear Information System (INIS)
Ruggenthaler, M.; Mackenroth, F.; Bauer, D.
2011-01-01
We prove a generalization of the van Leeuwen theorem toward quantum electrodynamics, providing the formal foundations of a time-dependent Kohn-Sham construction for coupled quantized matter and electromagnetic fields. We circumvent the symmetry-causality problems associated with the action-functional approach to Kohn-Sham systems. We show that the effective external four-potential and four-current of the Kohn-Sham system are uniquely defined and that the effective four-current takes a very simple form. Further we rederive the Runge-Gross theorem for quantum electrodynamics.
The time-dependent prize-collecting arc routing problem
DEFF Research Database (Denmark)
Black, Dan; Eglese, Richard; Wøhlk, Sanne
2013-01-01
with the time of day. Two metaheuristic algorithms, one based on Variable Neighborhood Search and one based on Tabu Search, are proposed and tested for a set of benchmark problems, generated from real road networks and travel time information. Both algorithms are capable of finding good solutions, though......A new problem is introduced named the Time-Dependent Prize-Collecting Arc Routing Problem (TD-PARP). It is particularly relevant to situations where a transport manager has to choose between a number of full truck load pick-ups and deliveries on a road network where travel times change...
Radiation effects on time-dependent deformation: Creep and growth
International Nuclear Information System (INIS)
Simonen, E.P.
1989-03-01
Observations of irradiation creep strain as well as irradiation growth strain and related microstructures are reviewed and compared to mechanisms for radiation effects on time-dependent deformation. Composition, microstructure, stress and temperature affect irradiation creep less than thermal creep. Irradiation creep rates can often dominate thermal creep rates, particularly at low temperatures and low stresses. Irradiation creep mechanisms are classified in two general categories: (1) stress-induced preferential absorption and (2) climb-glide. In the former, creep results from dislocation climb, whereas in the latter, creep results from dislocation glide. The effects of irradiation creep on failure modes in nuclear environments are discussed. 53 refs., 18 figs., 1 tab
Entanglement entropy with a time-dependent Hamiltonian
Sivaramakrishnan, Allic
2018-03-01
The time evolution of entanglement tracks how information propagates in interacting quantum systems. We study entanglement entropy in CFT2 with a time-dependent Hamiltonian. We perturb by operators with time-dependent source functions and use the replica trick to calculate higher-order corrections to entanglement entropy. At first order, we compute the correction due to a metric perturbation in AdS3/CFT2 and find agreement on both sides of the duality. Past first order, we find evidence of a universal structure of entanglement propagation to all orders. The central feature is that interactions entangle unentangled excitations. Entanglement propagates according to "entanglement diagrams," proposed structures that are motivated by accessory spacetime diagrams for real-time perturbation theory. To illustrate the mechanisms involved, we compute higher-order corrections to free fermion entanglement entropy. We identify an unentangled operator, one which does not change the entanglement entropy to any order. Then, we introduce an interaction and find it changes entanglement entropy by entangling the unentangled excitations. The entanglement propagates in line with our conjecture. We compute several entanglement diagrams. We provide tools to simplify the computation of loop entanglement diagrams, which probe UV effects in entanglement propagation in CFT and holography.
Time-dependent methodology for fault tree evaluation
International Nuclear Information System (INIS)
Vesely, W.B.
1976-01-01
Any fault tree may be evaluated applying the method called the kinetic theory of fault trees. The basic feature of this method as presented here is in that any information on primary failure, type failure or peak failure is derived from three characteristics: probability of existence, failure intensity and failure density. The determination of the said three characteristics for a given phenomenon yields the remaining probabilistic information on the individual aspects of the failure and on their totality for the whole observed period. The probabilistic characteristics are determined by applying the analysis of phenomenon probability. The total time dependent information on the peak failure is obtained by using the type failures (critical paths) of the fault tree. By applying the said process the total time dependent information is obtained for every primary failure and type failure of the fault tree. In the application of the method of the kinetic theory of fault trees represented by the PREP and KITT programmes, the type failures are first obtained using the deterministic testing method or using the Monte Carlo simulation (PREP programme). The respective characteristics are then determined using the kinetic theory of fault trees (KITT programmes). (Oy)
Rayleigh-Taylor mixing with time-dependent acceleration
Abarzhi, Snezhana
2016-10-01
We extend the momentum model to describe Rayleigh-Taylor (RT) mixing driven by a time-dependent acceleration. The acceleration is a power-law function of time, similarly to astrophysical and plasma fusion applications. In RT flow the dynamics of a fluid parcel is driven by a balance per unit mass of the rates of momentum gain and loss. We find analytical solutions in the cases of balanced and imbalanced gains and losses, and identify their dependence on the acceleration exponent. The existence is shown of two typical regimes of self-similar RT mixing-acceleration-driven Rayleigh-Taylor-type and dissipation-driven Richtymer-Meshkov-type with the latter being in general non-universal. Possible scenarios are proposed for transitions from the balanced dynamics to the imbalanced self-similar dynamics. Scaling and correlations properties of RT mixing are studied on the basis of dimensional analysis. Departures are outlined of RT dynamics with time-dependent acceleration from canonical cases of homogeneous turbulence as well as blast waves with first and second kind self-similarity. The work is supported by the US National Science Foundation.
Interacting particle systems in time-dependent geometries
Ali, A.; Ball, R. C.; Grosskinsky, S.; Somfai, E.
2013-09-01
Many complex structures and stochastic patterns emerge from simple kinetic rules and local interactions, and are governed by scale invariance properties in combination with effects of the global geometry. We consider systems that can be described effectively by space-time trajectories of interacting particles, such as domain boundaries in two-dimensional growth or river networks. We study trajectories embedded in time-dependent geometries, and the main focus is on uniformly expanding or decreasing domains for which we obtain an exact mapping to simple fixed domain systems while preserving the local scale invariance properties. This approach was recently introduced in Ali et al (2013 Phys. Rev. E 87 020102(R)) and here we provide a detailed discussion on its applicability for self-affine Markovian models, and how it can be adapted to self-affine models with memory or explicit time dependence. The mapping corresponds to a nonlinear time transformation which converges to a finite value for a large class of trajectories, enabling an exact analysis of asymptotic properties in expanding domains. We further provide a detailed discussion of different particle interactions and generalized geometries. All our findings are based on exact computations and are illustrated numerically for various examples, including Lévy processes and fractional Brownian motion.
Smooth time-dependent receiver operating characteristic curve estimators.
Martínez-Camblor, Pablo; Pardo-Fernández, Juan Carlos
2018-03-01
The receiver operating characteristic curve is a popular graphical method often used to study the diagnostic capacity of continuous (bio)markers. When the considered outcome is a time-dependent variable, two main extensions have been proposed: the cumulative/dynamic receiver operating characteristic curve and the incident/dynamic receiver operating characteristic curve. In both cases, the main problem for developing appropriate estimators is the estimation of the joint distribution of the variables time-to-event and marker. As usual, different approximations lead to different estimators. In this article, the authors explore the use of a bivariate kernel density estimator which accounts for censored observations in the sample and produces smooth estimators of the time-dependent receiver operating characteristic curves. The performance of the resulting cumulative/dynamic and incident/dynamic receiver operating characteristic curves is studied by means of Monte Carlo simulations. Additionally, the influence of the choice of the required smoothing parameters is explored. Finally, two real-applications are considered. An R package is also provided as a complement to this article.
Time-dependent behavior of rough discontinuities under shearing conditions
Wang, Zhen; Shen, Mingrong; Ding, Wenqi; Jang, Boan; Zhang, Qingzhao
2018-02-01
The mechanical properties of rocks are generally controlled by their discontinuities. In this study, the time-dependent behavior of rough artificial joints under shearing conditions was investigated. Based on Barton’s standard profile lines, samples with artificial joint surfaces were prepared and used to conduct the shear and creep tests. The test results showed that the shear strength of discontinuity was linearly related to roughness, and subsequently an empirical equation was established. The long-term strength of discontinuity can be identified using the inflection point of the isocreep-rate curve, and it was linearly related to roughness. Furthermore, the ratio of long-term and instantaneous strength decreased with the increase of roughness. The shear-stiffness coefficient increased with the increase of shear rate, and the influence of shear rate on the shear stiffness coefficient decreased with the decrease of roughness. Further study of the mechanism revealed that these results could be attributed to the different time-dependent behavior of intact and joint rocks.
Some notes on time dependent Thomas Fermi approximation
International Nuclear Information System (INIS)
Holzwarth, G.
1979-01-01
The successful use of effective density-dependent potentials in static Hartree-Fock calculations for nuclear ground-state properties has led to the question whether it is possible to obtain significant further simplification by approximating also the kinetic energy part of the ground state energy by a functional of the local density alone. The great advantage of such an approach is that its complexity is independent of particle number; the size of the system enters only through parameters, Z and N. The simple 'extended Thomas Fermi' functionals are based on the assumption of a spherically symmetric local Fermi surface throughout the nucleus and they represent the 'liquid drop' part of the static total energy. Given this static formalism which is solved directly for the local density without considering individual particles one might ask for a possible dynamical extension in the same sense as TDHF is a dynamical extension of the static HF approach. The aim of such a Time Dependent Thomas Fermi (TDTF) approximation would be to determine directly the time-dependent local single-particle density from given initial conditions and the single-particle current density without following each particle on its individual orbit
Time-dependent crack growth in steam generator tube leakage
International Nuclear Information System (INIS)
Chung, H.D.; Lee, J.H.; Park, Y.W.; Choi, Y.H.
2006-01-01
In general, cracks found in steam generator tubes have semi-elliptical shapes and it is assumed to be rectangular shape for conservatism after crack penetration. Hence, the leak and crack growth behavior has not been clearly understood after the elliptical crack penetrates the tube wall. Several experimental results performed by Argonne Nation Laboratory exhibited time-dependent crack growth behavior of rectangular flaws as well as trapezoidal flaws under constant pressure. The crack growth faster than expected was observed in both cases, which is likely attributed to time-dependent crack growth accompanied by fatigue sources such as the interaction between active jet and crack. The stress intensity factor, K 1 , is necessary for the prediction of the observed fatigue crack growth behavior. However, no K 1 solution is available for a trapezoidal flaw. The objective of this study is to develop the stress intensity factor which can be used for the fatigue analysis of a trapezoidal crack. To simplify the analysis, the crack is assumed to be a symmetric trapezoidal shape. A new K 1 formula for axial trapezoidal through-wall cracks was proposed based on the FEM results. (author)
Time-dependent Models of Magnetospheric Accretion onto Young Stars
Energy Technology Data Exchange (ETDEWEB)
Robinson, C. E.; Espaillat, C. C. [Department of Astronomy, Boston University, 725 Commonwealth Avenue, Boston, MA 02215 (United States); Owen, J. E. [Institute for Advanced Study, Einstein Drive, Princeton, NJ 08540 (United States); Adams, F. C., E-mail: connorr@bu.edu [Physics Department, University of Michigan, Ann Arbor, MI 48109 (United States)
2017-04-01
Accretion onto Classical T Tauri stars is thought to take place through the action of magnetospheric processes, with gas in the inner disk being channeled onto the star’s surface by the stellar magnetic field lines. Young stars are known to accrete material in a time-variable manner, and the source of this variability remains an open problem, particularly on the shortest (∼day) timescales. Using one-dimensional time-dependent numerical simulations that follow the field line geometry, we find that for plausibly realistic young stars, steady-state transonic accretion occurs naturally in the absence of any other source of variability. However, we show that if the density in the inner disk varies smoothly in time with ∼day-long timescales (e.g., due to turbulence), this complication can lead to the development of shocks in the accretion column. These shocks propagate along the accretion column and ultimately hit the star, leading to rapid, large amplitude changes in the accretion rate. We argue that when these shocks hit the star, the observed time dependence will be a rapid increase in accretion luminosity, followed by a slower decline, and could be an explanation for some of the short-period variability observed in accreting young stars. Our one-dimensional approach bridges previous analytic work to more complicated multi-dimensional simulations and observations.
Time-dependent Models of Magnetospheric Accretion onto Young Stars
International Nuclear Information System (INIS)
Robinson, C. E.; Espaillat, C. C.; Owen, J. E.; Adams, F. C.
2017-01-01
Accretion onto Classical T Tauri stars is thought to take place through the action of magnetospheric processes, with gas in the inner disk being channeled onto the star’s surface by the stellar magnetic field lines. Young stars are known to accrete material in a time-variable manner, and the source of this variability remains an open problem, particularly on the shortest (∼day) timescales. Using one-dimensional time-dependent numerical simulations that follow the field line geometry, we find that for plausibly realistic young stars, steady-state transonic accretion occurs naturally in the absence of any other source of variability. However, we show that if the density in the inner disk varies smoothly in time with ∼day-long timescales (e.g., due to turbulence), this complication can lead to the development of shocks in the accretion column. These shocks propagate along the accretion column and ultimately hit the star, leading to rapid, large amplitude changes in the accretion rate. We argue that when these shocks hit the star, the observed time dependence will be a rapid increase in accretion luminosity, followed by a slower decline, and could be an explanation for some of the short-period variability observed in accreting young stars. Our one-dimensional approach bridges previous analytic work to more complicated multi-dimensional simulations and observations.
On the measurement of time-dependent quantum phases
International Nuclear Information System (INIS)
Barut, A.O.; Bozic, M.; Klarsfeld, S.; Maric, Z.
1991-11-01
We have evaluated the exact (Pancharatnam) phase differences between the final state l ψ(t) > and various initial states for a spin 1/2-particle in a rotating magnetic field B(t). For the initial states l n; B ef (0) >, which are eigenstates of the spin component along the direction of the initial effective field B ef (0), the exact phase has an energy dependent part, and an energy independent part. It is shown that these states l n; B ef (0) > are cyclic and their corresponding Aharonov-Anandan phases are evaluated. In the adiabatic limit we discuss different choices of time-dependent bases and the relationship between the exact phase, the Born-Fock-Schiff phase and Berry's phase. We propose experiments (neutron) to verify separately the exact and the adiabatic evolution laws, as well as to measure the adiabatic phases associated with different choices of time-dependent basis vectors. (author). 37 refs, 5 figs, 1 tab
FRANTIC: a computer code for time dependent unavailability analysis
International Nuclear Information System (INIS)
Vesely, W.E.; Goldberg, F.F.
1977-03-01
The FRANTIC computer code evaluates the time dependent and average unavailability for any general system model. The code is written in FORTRAN IV for the IBM 370 computer. Non-repairable components, monitored components, and periodically tested components are handled. One unique feature of FRANTIC is the detailed, time dependent modeling of periodic testing which includes the effects of test downtimes, test overrides, detection inefficiencies, and test-caused failures. The exponential distribution is used for the component failure times and periodic equations are developed for the testing and repair contributions. Human errors and common mode failures can be included by assigning an appropriate constant probability for the contributors. The output from FRANTIC consists of tables and plots of the system unavailability along with a breakdown of the unavailability contributions. Sensitivity studies can be simply performed and a wide range of tables and plots can be obtained for reporting purposes. The FRANTIC code represents a first step in the development of an approach that can be of direct value in future system evaluations. Modifications resulting from use of the code, along with the development of reliability data based on operating reactor experience, can be expected to provide increased confidence in its use and potential application to the licensing process
Time-dependent strains and stresses in a pumpkin balloon
Gerngross, T.; Xu, Y.; Pellegrino, S.
This paper presents a study of pumpkin-shaped superpressure balloons consisting of gores made from a thin polymeric film attached to high stiffness meridional tendons This type of design is being used for the NASA ULDB balloons The gore film shows considerable time-dependent stress relaxation whereas the behaviour of the tendons is essentially time-independent Upon inflation and pressurization the instantaneous i e linear-elastic strain and stress distributions in the film show significantly higher values in the meridional direction However over time and due to the biaxial visco-elastic stress relaxation of the the gore material the em hoop strains increase and the em meridional stresses decrease whereas the em remaining strain and stress components remain substantially unchanged These results are important for a correct assessment of the structural integrity of a pumpkin balloon in a long-duration mission both in terms of the material performance and the overall stability of the shape of the balloon An experimental investigation of the time dependence of the biaxial strain distribution in the film of a 4 m diameter 48 gore pumpkin balloon is presented The inflated shape of selected gores has been measured using photogrammetry and the time variation in strain components at some particular points of these gores has been measured under constant pressure and temperature The results show good correlation with a numerical study using the ABAQUS finite-element package that includes a widely used model of
Time-dependent simulation of organic light-emitting diodes
International Nuclear Information System (INIS)
Sharifi, M J
2009-01-01
Several methods to simulate the behavior of organic light-emitting diodes (OLEDs) have been proposed in the past. In this paper, we develop a previous method, based on the master equation, in order to allow the simulation of time-dependent behavior and transient states. The calculation algorithm of the program that we have written is described. The time-dependent behaviors of two simple monolayer devices and of a more complicated three-layer device were simulated by means of this program, and the results are discussed. The results show that the turn-off speed of an OLED might be very slow, especially in the case of a multilayer device. This behavior is related to the low mobility of the organic material in weak electric fields. An interesting feature of the time behavior is pointed out, whereby the recombination rate may become considerably larger after the falling edge of an applied voltage pulse. Moreover, the validity of the transient electro-luminescent method for measuring carrier mobility in organic material has been examined by means of simulation. The results show that there is some inconsistency especially in high electric fields
Photodissociation spectroscopy of the dysprosium monochloride molecular ion
Energy Technology Data Exchange (ETDEWEB)
Dunning, Alexander, E-mail: alexander.dunning@gmail.com; Schowalter, Steven J.; Puri, Prateek; Hudson, Eric R. [Department of Physics and Astronomy, University of California, Los Angeles, California 90095 (United States); Petrov, Alexander; Kotochigova, Svetlana [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)
2015-09-28
We have performed a combined experimental and theoretical study of the photodissociation cross section of the molecular ion DyCl{sup +}. The photodissociation cross section for the photon energy range 35 500 cm{sup −1} to 47 500 cm{sup −1} is measured using an integrated ion trap and time-of-flight mass spectrometer; we observe a broad, asymmetric profile that is peaked near 43 000 cm{sup −1}. The theoretical cross section is determined from electronic potentials and transition dipole moments calculated using the relativistic configuration-interaction valence-bond and coupled-cluster methods. The electronic structure of DyCl{sup +} is extremely complex due to the presence of multiple open electronic shells, including the 4f{sup 10} configuration. The molecule has nine attractive potentials with ionically bonded electrons and 99 repulsive potentials dissociating to a ground state Dy{sup +} ion and Cl atom. We explain the lack of symmetry in the cross section as due to multiple contributions from one-electron-dominated transitions between the vibrational ground state and several resolved repulsive excited states.
Photodissociation and photoisomerization dynamics of CH2=CHCHO in solution
International Nuclear Information System (INIS)
Wu Weiqiang; Yang Chunfan; Zhao Hongmei; Liu Kunhui; Su Hongmei
2010-01-01
By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of α,β-enones, acrolein (CH 2 =CHCHO) in CH 3 CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH 3 CH=C=O with a branching ratio of 0.78 and the less important channel is the α cleavage of C-H bond yielding radical fragments CH 2 =CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet 3 (ππ * ) state rather than the ground S 0 state and the α cleavage of C-H bond is more likely to proceed in the singlet S 1 1 (nπ * ) state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.
Photodissociation and photoisomerization dynamics of CH2=CHCHO in solution
Wu, Weiqiang; Yang, Chunfan; Zhao, Hongmei; Liu, Kunhui; Su, Hongmei
2010-03-01
By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of α,β-enones, acrolein (CH2CHCHO) in CH3CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH3CHCO with a branching ratio of 0.78 and the less important channel is the α cleavage of CH bond yielding radical fragments CH2CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet (ππ ∗)3 state rather than the ground S0 state and the α cleavage of CH bond is more likely to proceed in the singlet S1 (nπ∗)1 state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.
Quantum treatment of the Ar-HI photodissociation dynamics
International Nuclear Information System (INIS)
Lopez-Lopez, Sergio; Prosmiti, Rita; Garcia-Vela, Alberto
2004-01-01
A wave packet simulation of the ultraviolet photolysis dynamics of Ar-HI(v=0) is reported. Cluster photodissociation is started from two different initial states, namely, the ground van der Waals (vdW) and the first excited vdW bending state, associated with the Ar-I-H and Ar-H-I isomeric forms of the system, respectively. Formation of Ar-I radical products is investigated over the energy range of the cluster absorption spectrum. It is found that the yield of bound Ar-I radical complexes is typically 90%-100% and 70%-80% for the initial states associated with the Ar-I-H and Ar-H-I isomers, respectively. This result is in agreement with the experimentally observed time-of-flight spectrum of the hydrogen fragment produced after Ar-HI photodissociation. The high Ar-I yield is explained mainly by the small amount of energy available for the radical that is converted into internal energy in the photofragmentation process, which enhances the Ar-I survival probability. Quantum interference effects manifest themselves in structures in the angular distribution of the hydrogen fragment, and in pronounced rainbow patterns in the rotational distributions of the Ar-I radical
Photodissociation spectroscopy of the Mg+-acetic acid complex
Abate, Yohannes; Kleiber, P. D.
2006-11-01
We have studied the structure and photodissociation of Mg+-acetic acid clusters. Ab initio calculations suggest four relatively strongly bound ground state isomers for the [MgC2H4O2]+ complex. These isomers include the cis and trans forms of the Mg+-acetic acid association complex with Mg+ bonded to the carbonyl O atom of acetic acid, the Mg+-acetic acid association complex with Mg+ bonded to the hydroxyl O atom of acetic acid, or to a Mg+-ethenediol association complex. Photodissociation through the Mg+-based 3p←3s absorption bands in the near UV leads to direct (nonreactive) and reactive dissociation products: Mg+, MgOH+, Mg(H2O )+, CH3CO+, and MgCH3+. At low energies the dominant reactive quenching pathway is through dehydration to Mg(H2O)+, but additional reaction channels involving C-H and C-C bond activation are also open at higher energies.
Coroiu, A.M.; Parker, D.H.; Groenenboom, G.C.; Barr, J.; Novalbos, I.T.; Whitaker, B.J.
2006-01-01
A study of the photodissociation dynamics of NO2 in the 200-205 nm region using resonance enhanced multiphoton ionization (REMPI) in conjunction with the velocity map imaging technique is presented. We chose this region because it allowed the use of a single laser to photodissociate the NO2 molecule
Photodissociation dynamics of CH3C(O)SH in argon matrix: A QM/MM nonadiabatic dynamics simulation
Xia, Shu-Hua; Liu, Xiang-Yang; Fang, Qiu; Cui, Ganglong
2015-11-01
In this work, we have first employed the combined quantum mechanics/molecular mechanics (QM/MM) method to study the photodissociation mechanism of thioacetic acid CH3C(O)SH in the S1, T1, and S0 states in argon matrix. CH3C(O)SH is treated quantum mechanically using the complete active space self-consistent field and complete active space second-order perturbation theory methods; argon matrix is described classically using Lennard-Jones potentials. We find that the C-S bond fission is predominant due to its small barriers of ca. 3.0 and 1.0 kcal/mol in the S1 and T1 states. It completely suppresses the nearby C—C bond fission. After the bond fission, the S1 radical pair of CH3CO and SH can decay to the S0 and T1 states via internal conversion and intersystem crossing, respectively. In the S0 state, the radical pair can either recombine to form CH3C(O)SH or proceed to form molecular products of CH2CO and H2S. We have further employed our recently developed QM/MM generalized trajectory-based surface-hopping method to simulate the photodissociation dynamics of CH3C(O)SH. In 1 ps dynamics simulation, 56% trajectories stay at the Franck-Condon region; the S1 C—S bond fission takes place in the remaining 44% trajectories. Among all nonadiabatic transitions, the S1 → S0 internal conversion is major (55%) but the S1 → T1 intersystem crossing is still comparable and cannot be ignored, which accounts for 28%. Finally, we have found a radical channel generating the molecular products of CH2CO and H2S, which is complementary to the concerted molecular channel. The present work sets the stage for simulating photodissociation dynamics of similar thio-carbonyl systems in matrix.
Time dependent variation of carrying capacity of prestressed precast beam
Le, Tuan D.; Konečný, Petr; Matečková, Pavlína
2018-04-01
The article deals with the evaluation of the precast concrete element time dependent carrying capacity. The variation of the resistance is inherited property of laboratory as well as in-situ members. Thus the specification of highest, yet possible, laboratory sample resistance is important with respect to evaluation of laboratory experiments based on the test machine loading capabilities. The ultimate capacity is evaluated through the bending moment resistance of a simply supported prestressed concrete beam. The probabilistic assessment is applied. Scatter of random variables of compressive strength of concrete and effective height of the cross section is considered. Monte Carlo simulation technique is used to investigate the performance of the cross section of the beam with changes of tendons’ positions and compressive strength of concrete.
On the time-dependent radiative transfer in photospheric plasmas
International Nuclear Information System (INIS)
Schultz, A.L.; Schweizer, M.A.
1987-01-01
The paper is the second of a series investigating time-dependent radiative transfer processes of x-rays in photospheric plasmas. A quantitative discussion is presented of analytical results derived earlier along with a comparison with Monte Carlo simulations. The geometry considered is a homogeneous plasma ball with radius R. The source is concentrated on a concentric shell with radius r 0 < R. Point sources at the centre of the ball or semi-infinite geometries are discussed as limiting cases. Diffusion profiles are given for every scattering order and the total profile appears as the sum over these individual profiles. The comparison with Monte Carlo results is used to test the accuracy of the analytical approach and to adjust the time profiles of the first few scattering orders. The analytical theory yields good results over a wide range of situations. (author)
Timing intervals using population synchrony and spike timing dependent plasticity
Directory of Open Access Journals (Sweden)
Wei Xu
2016-12-01
Full Text Available We present a computational model by which ensembles of regularly spiking neurons can encode different time intervals through synchronous firing. We show that a neuron responding to a large population of convergent inputs has the potential to learn to produce an appropriately-timed output via spike-time dependent plasticity. We explain why temporal variability of this population synchrony increases with increasing time intervals. We also show that the scalar property of timing and its violation at short intervals can be explained by the spike-wise accumulation of jitter in the inter-spike intervals of timing neurons. We explore how the challenge of encoding longer time intervals can be overcome and conclude that this may involve a switch to a different population of neurons with lower firing rate, with the added effect of producing an earlier bias in response. Experimental data on human timing performance show features in agreement with the model’s output.
A gauge invariant theory for time dependent heat current
International Nuclear Information System (INIS)
Chen, Jian; ShangGuan, Minhui; Wang, Jian
2015-01-01
In this work, we develop a general gauge-invariant theory for AC heat current through multi-probe systems. Using the non-equilibrium Green’s function, a general expression for time-dependent electrothermal admittance is obtained where we include the internal potential due to the Coulomb interaction explicitly. We show that the gauge-invariant condition is satisfied for heat current if the self-consistent Coulomb interaction is considered. It is known that the Onsager relation holds for dynamic charge conductance. We show in this work that the Onsager relation for electrothermal admittance is violated, except for a special case of a quantum dot system with a single energy level. We apply our theory to a nano capacitor where the Coulomb interaction plays an essential role. We find that, to the first order in frequency, the heat current is related to the electrochemical capacitance as well as the phase accumulated in the scattering event. (paper)
Light pressure of time-dependent fields in plasmas
International Nuclear Information System (INIS)
Zeidler, A.; Schnabl, H.; Mulser, P.
1985-01-01
An expression of the light pressure Pi is derived for the case of a nearly monochromatic electromagnetic wave with arbitrarily time-dependent amplitude. Thereby Pi is defined as the time-averaged force density exerted on a plasma by the wave. The resulting equations are valid for both transverse and longitudinal waves. The light pressure turns out to consist of two components: the well-known gradient-type term and a new nonstationary solenoidal term. This is true for warm as well as cold plasmas. The importance of the new term for the generation of static magnetic fields is shown, and a model in which shear forces may result is given. Formulas for the nonstationary light pressure developed previously are discussed
Histogram bin width selection for time-dependent Poisson processes
International Nuclear Information System (INIS)
Koyama, Shinsuke; Shinomoto, Shigeru
2004-01-01
In constructing a time histogram of the event sequences derived from a nonstationary point process, we wish to determine the bin width such that the mean squared error of the histogram from the underlying rate of occurrence is minimized. We find that the optimal bin widths obtained for a doubly stochastic Poisson process and a sinusoidally regulated Poisson process exhibit different scaling relations with respect to the number of sequences, time scale and amplitude of rate modulation, but both diverge under similar parametric conditions. This implies that under these conditions, no determination of the time-dependent rate can be made. We also apply the kernel method to these point processes, and find that the optimal kernels do not exhibit any critical phenomena, unlike the time histogram method
Histogram bin width selection for time-dependent Poisson processes
Energy Technology Data Exchange (ETDEWEB)
Koyama, Shinsuke; Shinomoto, Shigeru [Department of Physics, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502 (Japan)
2004-07-23
In constructing a time histogram of the event sequences derived from a nonstationary point process, we wish to determine the bin width such that the mean squared error of the histogram from the underlying rate of occurrence is minimized. We find that the optimal bin widths obtained for a doubly stochastic Poisson process and a sinusoidally regulated Poisson process exhibit different scaling relations with respect to the number of sequences, time scale and amplitude of rate modulation, but both diverge under similar parametric conditions. This implies that under these conditions, no determination of the time-dependent rate can be made. We also apply the kernel method to these point processes, and find that the optimal kernels do not exhibit any critical phenomena, unlike the time histogram method.
The time-dependent Aharonov–Casher effect
Energy Technology Data Exchange (ETDEWEB)
Singleton, Douglas, E-mail: dougs@csufresno.edu [Department of Physics, California State University Fresno, Fresno, CA 93740-8031 (United States); ICTP South American Institute for Fundamental Research, UNESP – Univ. Estadual Paulista, Rua Dr. Bento T. Ferraz 271, 01140-070, São Paulo, SP (Brazil); Ulbricht, Jaryd, E-mail: julbrich@ucsc.edu [Physics Department, University of California Santa Cruz, Santa Cruz, CA 95064 (United States); Department of Physics, California State University Fresno, Fresno, CA 93740-8031 (United States)
2016-02-10
In this paper we give a covariant expression for Aharonov–Casher phase. This expression is a combination of the canonical electric field, Aharonov–Casher phase plus a magnetic field phase shift. We use this covariant expression for the Aharonov–Casher phase to investigate the case of a neutral particle with a non-zero magnetic moment moving in the time dependent electric and magnetic fields of a plane electromagnetic wave background. We focus on the case where the magnetic moment of the particle is oriented so that both the electric and magnetic fields lead to non-zero phases, and we look at the interplay between these electric and magnetic phases.
The time-dependent density matrix renormalisation group method
Ma, Haibo; Luo, Zhen; Yao, Yao
2018-04-01
Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.
Study of Time-Dependent Properties of Thermoplastics
Directory of Open Access Journals (Sweden)
Bolchoun A.
2010-06-01
Full Text Available Simple tests carried out with a common tension/compression testing machine are used to obtain timedependent properties of non-reinforced thermoplastics. These tests include ramp loadings as well as relaxation and creep tests. Two materials (PBT Celanex 2002-2 and POM Hostaform C9021, Ticona GmbH, Kelsterbach were taken for the experiments. The experiments show that an adequate description of the long-term material properties can be obtained from the short-time tests, namely from tests with constant traverse speed $L^.$. Below a model for the time-dependent mechanical behavior is presented and fitted to the obtained measured data. For the evaluation of the fitting quality long-term tests are used. Especially creep and relaxation tests with ”jumps”, i.e. rapid change of loading, are important for this purpose.
Development of constitutive model for composites exhibiting time dependent properties
International Nuclear Information System (INIS)
Pupure, L; Joffe, R; Varna, J; Nyström, B
2013-01-01
Regenerated cellulose fibres and their composites exhibit highly nonlinear behaviour. The mechanical response of these materials can be successfully described by the model developed by Schapery for time-dependent materials. However, this model requires input parameters that are experimentally determined via large number of time-consuming tests on the studied composite material. If, for example, the volume fraction of fibres is changed we have a different material and new series of experiments on this new material are required. Therefore the ultimate objective of our studies is to develop model which determines the composite behaviour based on behaviour of constituents of the composite. This paper gives an overview of problems and difficulties, associated with development, implementation and verification of such model
Fundamental Constants in Physics and their Time Dependence
CERN. Geneva
2008-01-01
In the Standard Model of Particle Physics we are dealing with 28 fundamental constants. In the experiments these constants can be measured, but theoretically they are not understood. I will discuss these constants, which are mostly mass parameters. Astrophysical measurements indicate that the finestructure constant is not a real constant, but depends on time. Grand unification then implies also a time variation of the QCD scale. Thus the masses of the atomic nuclei and the magnetic moments of the nuclei will depend on time. I proposed an experiment, which is currently done by Prof. Haensch in Munich and his group. The first results indicate a time dependence of the QCD scale. I will discuss the theoretical implications.
Observation of Broadband Time-Dependent Rabi Shifting in Microplasmas
International Nuclear Information System (INIS)
Compton, Ryan; Filin, Alex; Romanov, Dmitri A.; Levis, Robert J.
2009-01-01
Coherent broadband radiation in the form of Rabi sidebands is observed when a ps probe laser propagates through a weakly ionized, electronically excited microplasma generated in the focus of an intense pump beam. The sidebands arise from the interaction of the probe beam with pairs of excited states of a constituent neutral atom via the probe-induced Rabi oscillation. Sideband shifting of >90 meV from the probe carrier frequency results in an effective bandwidth of 200 meV. The sidebands are controlled by the intensity and temporal profile of the probe pulse; with amplitude and shift in agreement with the predictions of a time-dependent generalized Rabi cycling model.
Two-dimensional time dependent Riemann solvers for neutron transport
International Nuclear Information System (INIS)
Brunner, Thomas A.; Holloway, James Paul
2005-01-01
A two-dimensional Riemann solver is developed for the spherical harmonics approximation to the time dependent neutron transport equation. The eigenstructure of the resulting equations is explored, giving insight into both the spherical harmonics approximation and the Riemann solver. The classic Roe-type Riemann solver used here was developed for one-dimensional problems, but can be used in multidimensional problems by treating each face of a two-dimensional computation cell in a locally one-dimensional way. Several test problems are used to explore the capabilities of both the Riemann solver and the spherical harmonics approximation. The numerical solution for a simple line source problem is compared to the analytic solution to both the P 1 equation and the full transport solution. A lattice problem is used to test the method on a more challenging problem
Parametric Resonance in a Time-Dependent Harmonic Oscillator
Directory of Open Access Journals (Sweden)
P. N. Nesterov
2013-01-01
Full Text Available In this paper, we study the phenomenon of appearance of new resonances in a timedependent harmonic oscillator under an oscillatory decreasing force. The studied equation belongs to the class of adiabatic oscillators and arises in connection with the spectral problem for the one-dimensional Schr¨odinger equation with Wigner–von Neumann type potential. We use a specially developed method for asymptotic integration of linear systems of differential equations with oscillatory decreasing coefficients. This method uses the ideas of the averaging method to simplify the initial system. Then we apply Levinson’s fundamental theorem to get the asymptotics for its solutions. Finally, we analyze the features of a parametric resonance phenomenon. The resonant frequencies of perturbation are found and the pointwise type of the parametric resonance phenomenon is established. In conclusion, we construct an example of a time-dependent harmonic oscillator (adiabatic oscillator in which the parametric resonances, mentioned in the paper, may occur.
Time-Dependent Topology of Railway Prestressed Concrete Sleepers
Li, Dan; Ngamkhanong, Chayut; Kaewunruen, Sakdirat
2017-10-01
The railway sleepers are very important component of railway track structure. The sleepers can be manufactured by using timber, concrete, steel or other engineered materials. Nowadays, prestressed concrete has become most commonly used type of sleepers. Prestressed concrete sleepers have longer life-cycle and lower maintenance cost than reinforced concrete sleepers. They are expected to withstand high dynamic loads and harsh environments. However, durability and long-term performance of prestressed concrete sleepers are largely dependent on creep and shrinkage responses. This study investigates the long-term behaviours of prestressed concrete sleepers and proposes the shortening and deflection diagrams. Comparison between design codes of Eurocode 2 and AS3600-2009 provides the insight into the time-dependent performance of prestressed concrete sleepers. The outcome of this paper will improve the rail maintenance and inspection criteria in order to establish appropriate sensible remote track condition monitor network in practice.
Stirring inertia in time-dependent low Reynolds number flows
Yecko, Philip; Luchtenburg, Dirk Martin (Mark); Forgoston, Eric; Billings, Lora
2017-11-01
Diagnosis of a kinematic flow and its transport using Lagrangian coherent structures (LCS) based on finite-time Lyapunov exponents (FTLE) neglects dynamical effects, such as pressure, as well as dynamically important constraints, such as potential vorticity conservation. Chaotic advection, on the other hand, often neglects inertial effects, which are prominent in LCS. We present results for very low Reynolds number laboratory flows, including a Stokes double gyre, vertically sheared strain and a four roll mill. Images of tracer (dye) and FTLE fields computed from particle image velocimetry (PIV) reveal complementary sets of flow structures, giving a more complete picture of transport in these flows. We confirm by computing FTLE of an exact time-dependent Stokes flow solution and present implications of these findings for inertial object transport in flows. Support of NSF DMS-1418956 is gratefully acknoweldged.
Sensitivity analysis of time-dependent laminar flows
International Nuclear Information System (INIS)
Hristova, H.; Etienne, S.; Pelletier, D.; Borggaard, J.
2004-01-01
This paper presents a general sensitivity equation method (SEM) for time dependent incompressible laminar flows. The SEM accounts for complex parameter dependence and is suitable for a wide range of problems. The formulation is verified on a problem with a closed form solution obtained by the method of manufactured solution. Systematic grid convergence studies confirm the theoretical rates of convergence in both space and time. The methodology is then applied to pulsatile flow around a square cylinder. Computations show that the flow starts with symmetrical vortex shedding followed by a transition to the traditional Von Karman street (alternate vortex shedding). Simulations show that the transition phase manifests itself earlier in the sensitivity fields than in the flow field itself. Sensitivities are then demonstrated for fast evaluation of nearby flows and uncertainty analysis. (author)
Exponential time-dependent perturbation theory in rotationally inelastic scattering
International Nuclear Information System (INIS)
Cross, R.J.
1983-01-01
An exponential form of time-dependent perturbation theory (the Magnus approximation) is developed for rotationally inelastic scattering. A phase-shift matrix is calculated as an integral in time over the anisotropic part of the potential. The trajectory used for this integral is specified by the diagonal part of the potential matrix and the arithmetic average of the initial and final velocities and the average orbital angular momentum. The exponential of the phase-shift matrix gives the scattering matrix and the various cross sections. A special representation is used where the orbital angular momentum is either treated classically or may be frozen out to yield the orbital sudden approximation. Calculations on Ar+N 2 and Ar+TIF show that the theory generally gives very good agreement with accurate calculations, even where the orbital sudden approximation (coupled-states) results are seriously in error
Monolayer phosphorene under time-dependent magnetic field
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.
Time-dependent reliability analysis and condition assessment of structures
International Nuclear Information System (INIS)
Ellingwood, B.R.
1997-01-01
Structures generally play a passive role in assurance of safety in nuclear plant operation, but are important if the plant is to withstand the effect of extreme environmental or abnormal events. Relative to mechanical and electrical components, structural systems and components would be difficult and costly to replace. While the performance of steel or reinforced concrete structures in service generally has been very good, their strengths may deteriorate during an extended service life as a result of changes brought on by an aggressive environment, excessive loading, or accidental loading. Quantitative tools for condition assessment of aging structures can be developed using time-dependent structural reliability analysis methods. Such methods provide a framework for addressing the uncertainties attendant to aging in the decision process
Benchmarking time-dependent neutron problems with Monte Carlo codes
International Nuclear Information System (INIS)
Couet, B.; Loomis, W.A.
1990-01-01
Many nuclear logging tools measure the time dependence of a neutron flux in a geological formation to infer important properties of the formation. The complex geometry of the tool and the borehole within the formation does not permit an exact deterministic modelling of the neutron flux behaviour. While this exact simulation is possible with Monte Carlo methods the computation time does not facilitate quick turnaround of results useful for design and diagnostic purposes. Nonetheless a simple model based on the diffusion-decay equation for the flux of neutrons of a single energy group can be useful in this situation. A combination approach where a Monte Carlo calculation benchmarks a deterministic model in terms of the diffusion constants of the neutrons propagating in the media and their flux depletion rates thus offers the possibility of quick calculation with assurance as to accuracy. We exemplify this approach with the Monte Carlo benchmarking of a logging tool problem, showing standoff and bedding response. (author)
Translation invariant time-dependent solutions to massive gravity II
Mourad, J.; Steer, D. A.
2014-06-01
This paper is a sequel to JCAP 12 (2013) 004 and is also devoted to translation-invariant solutions of ghost-free massive gravity in its moving frame formulation. Here we consider a mass term which is linear in the vielbein (corresponding to a β3 term in the 4D metric formulation) in addition to the cosmological constant. We determine explicitly the constraints, and from the initial value formulation show that the time-dependent solutions can have singularities at a finite time. Although the constraints give, as in the β1 case, the correct number of degrees of freedom for a massive spin two field, we show that the lapse function can change sign at a finite time causing a singular time evolution. This is very different to the β1 case where time evolution is always well defined. We conclude that the β3 mass term can be pathological and should be treated with care.
Tao, Guohua; Miller, William H
2011-07-14
An efficient time-dependent importance sampling method is developed for the Monte Carlo calculation of time correlation functions via the initial value representation (IVR) of semiclassical (SC) theory. A prefactor-free time-dependent sampling function weights the importance of a trajectory based on the magnitude of its contribution to the time correlation function, and global trial moves are used to facilitate the efficient sampling the phase space of initial conditions. The method can be generally applied to sampling rare events efficiently while avoiding being trapped in a local region of the phase space. Results presented in the paper for two system-bath models demonstrate the efficiency of this new importance sampling method for full SC-IVR calculations.
Pelissetto, Andrea; Rossini, Davide; Vicari, Ettore
2018-03-01
We investigate the quantum dynamics of many-body systems subject to local (i.e., restricted to a limited space region) time-dependent perturbations. If the system crosses a quantum phase transition, an off-equilibrium behavior is observed, even for a very slow driving. We show that, close to the transition, time-dependent quantities obey scaling laws. In first-order transitions, the scaling behavior is universal, and some scaling functions can be computed exactly. For continuous transitions, the scaling laws are controlled by the standard critical exponents and by the renormalization-group dimension of the perturbation at the transition. Our protocol can be implemented in existing relatively small quantum simulators, paving the way for a quantitative probe of the universal off-equilibrium scaling behavior, without the need to manipulate systems close to the thermodynamic limit.
New applications with time-dependent thermochemical simulation
Energy Technology Data Exchange (ETDEWEB)
Koukkari, P. [VTT Chemical Technology, Espoo (Finland); Laukkanen, L. [VTT Automation, Espoo (Finland); Penttilae, K. [Kemira Engineering Oy, Helsinki (Finland)
1996-12-31
A new method (RATEMIX) to calculate multicomponent chemical reaction mixtures as a series of sequential thermochemical states was recently introduced. The procedure combines multicomponent thermodynamics with chemical kinetics and may be used to simulate the multicomponent reactors as a thermochemical natural process. The method combines the desired reaction rates sequentially with constrained Gibbs energy minimization. The reactant concentrations are determined by the experimental (Arrhenius) rate laws. During the course of the given reaction the subsequent side reactions are supposed to occur reversibly. At every sequential stage of the given reaction the temperature and composition of the reaction mixture are calculated by a thermodynamic subroutine, which minimizes the Gibbs energy of the system and takes into account the heat transfer between the system and its surroundings. The extents of reaction are included as algorithmic constraints in the Gibbs energy minimization procedure. Initially, the reactants are introduced to the system as inert copies to match both the mass and energy balance of the reactive system. During the calculation the copies are sequentially interchanged to the actual reactants which allows one to simulate the time-dependent reaction route by using the thermochemical procedure. For each intermediate stage, the temperature and composition are calculated and as well numerical estimates of the thermodynamic functions are obtained. The method is applicable in processes where the core thermodynamic and kinetic data of the system are known and the time-dependent heat transfer data can either be measured or estimated by calculation. The method has been used to simulate e.g. high temperature flame reactions, zinc vapour oxidation and a counter-current rotary drum with chemical reactions. The procedure has today been tested with SOLGASMIX, CHEMSAGE and HSC programs. (author)
Time-dependent source model of the Lusi mud volcano
Shirzaei, M.; Rudolph, M. L.; Manga, M.
2014-12-01
The Lusi mud eruption, near Sidoarjo, East Java, Indonesia, began erupting in May 2006 and continues to erupt today. Previous analyses of surface deformation data suggested an exponential decay of the pressure in the mud source, but did not constrain the geometry and evolution of the source(s) from which the erupting mud and fluids ascend. To understand the spatiotemporal evolution of the mud and fluid sources, we apply a time-dependent inversion scheme to a densely populated InSAR time series of the surface deformation at Lusi. The SAR data set includes 50 images acquired on 3 overlapping tracks of the ALOS L-band satellite between May 2006 and April 2011. Following multitemporal analysis of this data set, the obtained surface deformation time series is inverted in a time-dependent framework to solve for the volume changes of distributed point sources in the subsurface. The volume change distribution resulting from this modeling scheme shows two zones of high volume change underneath Lusi at 0.5-1.5 km and 4-5.5km depth as well as another shallow zone, 7 km to the west of Lusi and underneath the Wunut gas field. The cumulative volume change within the shallow source beneath Lusi is ~2-4 times larger than that of the deep source, whilst the ratio of the Lusi shallow source volume change to that of Wunut gas field is ~1. This observation and model suggest that the Lusi shallow source played a key role in eruption process and mud supply, but that additional fluids do ascend from depths >4 km on eruptive timescales.
New applications with time-dependent thermochemical simulation
Energy Technology Data Exchange (ETDEWEB)
Koukkari, P [VTT Chemical Technology, Espoo (Finland); Laukkanen, L [VTT Automation, Espoo (Finland); Penttilae, K [Kemira Engineering Oy, Helsinki (Finland)
1997-12-31
A new method (RATEMIX) to calculate multicomponent chemical reaction mixtures as a series of sequential thermochemical states was recently introduced. The procedure combines multicomponent thermodynamics with chemical kinetics and may be used to simulate the multicomponent reactors as a thermochemical natural process. The method combines the desired reaction rates sequentially with constrained Gibbs energy minimization. The reactant concentrations are determined by the experimental (Arrhenius) rate laws. During the course of the given reaction the subsequent side reactions are supposed to occur reversibly. At every sequential stage of the given reaction the temperature and composition of the reaction mixture are calculated by a thermodynamic subroutine, which minimizes the Gibbs energy of the system and takes into account the heat transfer between the system and its surroundings. The extents of reaction are included as algorithmic constraints in the Gibbs energy minimization procedure. Initially, the reactants are introduced to the system as inert copies to match both the mass and energy balance of the reactive system. During the calculation the copies are sequentially interchanged to the actual reactants which allows one to simulate the time-dependent reaction route by using the thermochemical procedure. For each intermediate stage, the temperature and composition are calculated and as well numerical estimates of the thermodynamic functions are obtained. The method is applicable in processes where the core thermodynamic and kinetic data of the system are known and the time-dependent heat transfer data can either be measured or estimated by calculation. The method has been used to simulate e.g. high temperature flame reactions, zinc vapour oxidation and a counter-current rotary drum with chemical reactions. The procedure has today been tested with SOLGASMIX, CHEMSAGE and HSC programs. (author)
Time dependent patient no-show predictive modelling development.
Huang, Yu-Li; Hanauer, David A
2016-05-09
Purpose - The purpose of this paper is to develop evident-based predictive no-show models considering patients' each past appointment status, a time-dependent component, as an independent predictor to improve predictability. Design/methodology/approach - A ten-year retrospective data set was extracted from a pediatric clinic. It consisted of 7,291 distinct patients who had at least two visits along with their appointment characteristics, patient demographics, and insurance information. Logistic regression was adopted to develop no-show models using two-thirds of the data for training and the remaining data for validation. The no-show threshold was then determined based on minimizing the misclassification of show/no-show assignments. There were a total of 26 predictive model developed based on the number of available past appointments. Simulation was employed to test the effective of each model on costs of patient wait time, physician idle time, and overtime. Findings - The results demonstrated the misclassification rate and the area under the curve of the receiver operating characteristic gradually improved as more appointment history was included until around the 20th predictive model. The overbooking method with no-show predictive models suggested incorporating up to the 16th model and outperformed other overbooking methods by as much as 9.4 per cent in the cost per patient while allowing two additional patients in a clinic day. Research limitations/implications - The challenge now is to actually implement the no-show predictive model systematically to further demonstrate its robustness and simplicity in various scheduling systems. Originality/value - This paper provides examples of how to build the no-show predictive models with time-dependent components to improve the overbooking policy. Accurately identifying scheduled patients' show/no-show status allows clinics to proactively schedule patients to reduce the negative impact of patient no-shows.
Spike-timing dependent plasticity in the striatum
Directory of Open Access Journals (Sweden)
Elodie Fino
2010-06-01
Full Text Available The striatum is the major input nucleus of basal ganglia, an ensemble of interconnected sub-cortical nuclei associated with fundamental processes of action-selection and procedural learning and memory. The striatum receives afferents from the cerebral cortex and the thalamus. In turn, it relays the integrated information towards the basal ganglia output nuclei through which it operates a selected activation of behavioral effectors. The striatal output neurons, the GABAergic medium-sized spiny neurons (MSNs, are in charge of the detection and integration of behaviorally relevant information. This property confers to the striatum the ability to extract relevant information from the background noise and select cognitive-motor sequences adapted to environmental stimuli. As long-term synaptic efficacy changes are believed to underlie learning and memory, the corticostriatal long-term plasticity provides a fundamental mechanism for the function of the basal ganglia in procedural learning. Here, we reviewed the different forms of spike-timing dependent plasticity (STDP occurring at corticostriatal synapses. Most of the studies have focused on MSNs and their ability to develop long-term plasticity. Nevertheless, the striatal interneurons (the fast-spiking GABAergic, the NO synthase and cholinergic interneurons also receive monosynaptic afferents from the cortex and tightly regulated corticostriatal information processing. Therefore, it is important to take into account the variety of striatal neurons to fully understand the ability of striatum to develop long-term plasticity. Corticostriatal STDP with various spike-timing dependence have been observed depending on the neuronal sub-populations and experimental conditions. This complexity highlights the extraordinary potentiality in term of plasticity of the corticostriatal pathway.
Study of calculated and measured time dependent delayed neutron yields
International Nuclear Information System (INIS)
Waldo, R.W.
1980-05-01
Time-dependent delayed neutron emission is of interest in reactor design, reactor dynamics, and nuclear physics studies. The delayed neutrons from neutron-induced fission of 232 U, 237 Np, 238 Pu, 241 Am, /sup 242m/Am, 245 Cm, and 249 Cf were studied for the first time. The delayed neutron emission from 232 Th, 233 U, 235 U, 238 U, 239 Pu, 241 Pu, and 242 Pu were measured as well. The data were used to develop an empirical expression for the total delayed neutron yield. The expression gives accurate results for a large variety of nuclides from 232 Th to 252 Cf. The data measuring the decay of delayed neutrons with time were used to derive another empirical expression predicting the delayed neutron emission with time. It was found that nuclides with similar mass-to-charge ratios have similar decay patterns. Thus the relative decay pattern of one nuclide can be established by any measured nuclide with a similar mass-to-charge ratio. A simple fission product yield model was developed and applied to delayed neutron precursors. It accurately predicts observed yield and decay characteristics. In conclusion, it is possible to not only estimate the total delayed neutron yield for a given nuclide but the time-dependent nature of the delayed neutrons as well. Reactors utilizing recycled fuel or burning actinides are likely to have inventories of fissioning nuclides that have not been studied until now. The delayed neutrons from these nuclides can now be incorporated so that their influence on the stability and control of reactors can be delineated. 8 figures, 39 tables
RAPTOR. I. Time-dependent radiative transfer in arbitrary spacetimes
Bronzwaer, T.; Davelaar, J.; Younsi, Z.; Mościbrodzka, M.; Falcke, H.; Kramer, M.; Rezzolla, L.
2018-05-01
Context. Observational efforts to image the immediate environment of a black hole at the scale of the event horizon benefit from the development of efficient imaging codes that are capable of producing synthetic data, which may be compared with observational data. Aims: We aim to present RAPTOR, a new public code that produces accurate images, animations, and spectra of relativistic plasmas in strong gravity by numerically integrating the equations of motion of light rays and performing time-dependent radiative transfer calculations along the rays. The code is compatible with any analytical or numerical spacetime. It is hardware-agnostic and may be compiled and run both on GPUs and CPUs. Methods: We describe the algorithms used in RAPTOR and test the code's performance. We have performed a detailed comparison of RAPTOR output with that of other radiative-transfer codes and demonstrate convergence of the results. We then applied RAPTOR to study accretion models of supermassive black holes, performing time-dependent radiative transfer through general relativistic magneto-hydrodynamical (GRMHD) simulations and investigating the expected observational differences between the so-called fast-light and slow-light paradigms. Results: Using RAPTOR to produce synthetic images and light curves of a GRMHD model of an accreting black hole, we find that the relative difference between fast-light and slow-light light curves is less than 5%. Using two distinct radiative-transfer codes to process the same data, we find integrated flux densities with a relative difference less than 0.01%. Conclusions: For two-dimensional GRMHD models, such as those examined in this paper, the fast-light approximation suffices as long as errors of a few percent are acceptable. The convergence of the results of two different codes demonstrates that they are, at a minimum, consistent. The public version of RAPTOR is available at the following URL: http://https://github.com/tbronzwaer/raptor
Fundamentals of time-dependent density functional theory
International Nuclear Information System (INIS)
Marques, Miguel A.L.; Rubio, Angel
2012-01-01
There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. (orig.)
International Nuclear Information System (INIS)
Henderson, D.L.
1987-01-01
Time-dependent integral transport equation flux and current kernels for plane and spherical geometry are derived for homogeneous media. Using the multiple collision formalism, isotropic sources that are delta distributions in time are considered for four different problems. The plane geometry flux kernel is applied to a uniformly distributed source within an infinite medium and to a surface source in a semi-infinite medium. The spherical flux kernel is applied to a point source in an infinite medium and to a point source at the origin of a finite sphere. The time-dependent first-flight leakage rates corresponding to the existing steady state first-flight escape probabilities are computed by the Laplace transform technique assuming a delta distribution source in time. The case of a constant source emitting neutrons over a time interval, Δt, for a spatially uniform source is obtained for a slab and a sphere. Time-dependent first-flight leakage rates are also determined for the general two region spherical medium problem for isotropic sources with a delta distribution in time uniformly distributed throughout both the inner and outer regions. The time-dependent collision rates due to the uncollided neutrons are computed for a slab and a sphere using the time-dependent first-flight leakage rates and the time-dependent continuity equation. The case of a constant source emitting neutrons over a time interval, Δt, is also considered
International Nuclear Information System (INIS)
Wilson, G.L.; Rydin, R.A.; Orivuori, S.
1988-01-01
Two highly efficient nonlinear time-dependent heat conduction methodologies, the nonlinear time-dependent nodal integral technique (NTDNT) and IVOHEAT are compared using one- and two-dimensional time-dependent benchmark problems. The NTDNT is completely based on newly developed time-dependent nodal integral methods, whereas IVOHEAT is based on finite elements in space and Crank-Nicholson finite differences in time. IVOHEAT contains the geometric flexibility of the finite element approach, whereas the nodal integral method is constrained at present to Cartesian geometry. For test problems where both methods are equally applicable, the nodal integral method is approximately six times more efficient per dimension than IVOHEAT when a comparable overall accuracy is chosen. This translates to a factor of 200 for a three-dimensional problem having relatively homogeneous regions, and to a smaller advantage as the degree of heterogeneity increases
Photoisomerization and photodissociation dynamics of reactive free radicals
Energy Technology Data Exchange (ETDEWEB)
Bise, Ryan T. [Univ. of California, Berkeley, CA (United States)
2000-08-01
The photofragmentation pathways of chemically reactive free radicals have been examined using the technique of fast beam photofragment translational spectroscopy. Measurements of the photodissociation cross-sections, product branching ratios, product state energy distributions, and angular distributions provide insight into the excited state potential energy surfaces and nonadiabatic processes involved in the dissociation mechanisms. Photodissociation spectroscopy and dynamics of the predissociative $\\tilde{A}$^{2}A_{1} and $\\tilde{B}$^{2}A_{2} states of CH_{3}S have been investigated. At all photon energies, CH_{3} + S(^{3}P_{j}), was the main reaction channel. The translational energy distributions reveal resolved structure corresponding to vibrational excitation of the CH_{3} umbrella mode and the S(^{3}P_{j}) fine-structure distribution from which the nature of the coupled repulsive surfaces is inferred. Dissociation rates are deduced from the photofragment angular distributions, which depend intimately on the degree of vibrational excitation in the C-S stretch. Nitrogen combustion radicals, NCN, CNN and HNCN have also been studied. For all three radicals, the elimination of molecular nitrogen is the primary reaction channel. Excitation to linear excited triplet and singlet electronic states of the NCN radical generates resolved vibrational structure of the N_{2} photofragment. The relatively low fragment rotational excitation suggests dissociation via a symmetric C_{2V} transition state. Resolved vibrational structure of the N_{2} photofragment is also observed in the photodissociation of the HNCN radical. The fragment vibrational and rotational distributions broaden with increased excitation energy. Simple dissociation models suggest that the HNCN radical isomerizes to a cyclic intermediate (c-HCNN) which then dissociates via a tight cyclic
Broderick, Bernadette M; Suas-David, Nicolas; Dias, Nureshan; Suits, Arthur G
2018-02-21
Isomer-specific detection and product branching fractions in the UV photodissociation of the propargyl radical is achieved through the use of chirped-pulse Fourier-transform mm-wave spectroscopy in a pulsed quasi-uniform flow (CPUF). Propargyl radicals are produced in the 193 nm photodissociation of 1,2-butadiene. Absorption of a second photon leads to H atom elimination giving three possible C 3 H 2 isomers: singlets cyclopropenylidene (c-C 3 H 2 ) and propadienylidene (l-C 3 H 2 ), and triplet propargylene ( 3 HCCCH). The singlet products and their appearance kinetics in the flow are directly determined by rotational spectroscopy, but due to the negligible dipole moment of propargylene, it is not directly monitored. However, we exploit the time-dependent kinetics of H-atom catalyzed isomerization to infer the branching to propargylene as well. We obtain the overall branching among H loss channels to be 2.9% (+1.1/-0.5) l-C 3 H 2 + H, 16.8% (+3.2/-1.3) c-C 3 H 2 + H, and 80.2 (+1.8/-4.2) 3 HCCCH + H. Our findings are qualitatively consistent with earlier RRKM calculations in that the major channel in the photodissociation of the propargyl radical at 193 nm is to 3 HCCCH + H; however, a greater contribution to the energetically most favorable isomer, c-C 3 H 2 + H is observed in this work. We do not detect the predicted HCCC + H 2 channel, but place an upper bound on its yield of 1%.
Energy Technology Data Exchange (ETDEWEB)
Vranckx, S. [Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles (ULB), CP 160/09, B-1050 Brussels (Belgium); Laboratoire de Chimie Physique (UMR 8000), Université Paris-Sud, Orsay 91405 (France); Loreau, J.; Vaeck, N. [Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles (ULB), CP 160/09, B-1050 Brussels (Belgium); Meier, C. [Laboratoire Collisions Agrégats Réactivité, UMR 5589, IRSAMC, Université Toulouse III Paul Sabatier, Bât. 3R1b4, Toulouse (France); Desouter-Lecomte, M., E-mail: michele.desouter-lecomte@u-psud.fr [Laboratoire de Chimie Physique (UMR 8000), Univ. Paris Sud, Université Paris-Saclay, Orsay 91405 (France); Département de Chimie, B6c Université de Liège, Sart Tilman, 4000 Liège (Belgium)
2015-10-28
The photodissociation and laser assisted dissociation of the carbon monoxide dication X{sup 3}Π CO{sup 2+} into the {sup 3}Σ{sup −} states are investigated. Ab initio electronic structure calculations of the adiabatic potential energy curves, radial nonadiabatic couplings, and dipole moments for the X {sup 3}Π state are performed for 13 excited {sup 3}Σ{sup −} states of CO{sup 2+}. The photodissociation cross section, calculated by time-dependent methods, shows that the C{sup +} + O{sup +} channels dominate the process in the studied energy range. The carbon monoxide dication CO{sup 2+} is an interesting candidate for control because it can be produced in a single, long lived, v = 0 vibrational state due to the instability of all the other excited vibrational states of the ground {sup 3}Π electronic state. In a spectral range of about 25 eV, perpendicular transition dipoles couple this {sup 3}Π state to a manifold of {sup 3}Σ{sup −} excited states leading to numerous C{sup +} + O{sup +} channels and a single C{sup 2+} + O channel. This unique channel is used as target for control calculations using local control theory. We illustrate the efficiency of this method in order to find a tailored electric field driving the photodissociation in a manifold of strongly interacting electronic states. The selected local pulses are then concatenated in a sequence inspired by the “laser distillation” strategy. Finally, the local pulse is compared with optimal control theory.
Time-dependent spectrum analysis of high power gyrotrons
International Nuclear Information System (INIS)
Schlaich, Andreas
2015-01-01
In this work, an investigation of vacuum electronic oscillators capable of generating multi-megawatt continuous wave output power in the millimeter-wave range (so-called gyrotrons) through spectral measurements is presented. The centerpiece is the development of a measurement system with a high dynamic range (50-60 dB) for time-dependent spectrum analysis, covering the frequency range 100-170 GHz with instantaneous bandwidths of 6-12 GHz. Despite relying on heterodyne reception through harmonic mixers, the Pulse Spectrum Analysis (PSA) system maintains RF unambiguity in the spectrogram output through the application of a novel RF reconstruction technique. Using the new possibilities, a wide range of spectral phenomena in gyrotrons has been investigated, such as cavity mode jumps, lowfrequency modulation, frequency tuning in long pulses and the spectral behavior during the presence of an RF window arc. A dedicated investigation on parasitic RF oscillations in W7-X gyrotrons combining several analysis techniques led to the conclusion that after-cavity oscillations can be physical reality in high power gyrotrons, and are the probable cause for the undesired signals observed. Apart from systematic parameter sweeps using the PSA system, an analytical dispersion analysis in the Brillouin diagram was applied, and numerical gyrotron interaction simulations of unprecedented extent were conducted. Furthermore, the improved frequency measurement capabilities were employed to analyze the frequency tuning through thermal expansion and electrostatic neutralization caused by ionization inside the tube in long-pulse operation. By macroscopically modeling the gas dynamics and ionization processes in combination with a fitting process, the time dependences of the two processes could be investigated. In doing so, indication was found that the neutralization in W7-X gyrotrons amounts to only 60% of the electrostatic depression voltage, instead of 100% as widely believed for
Time-dependent spectrum analysis of high power gyrotrons
Energy Technology Data Exchange (ETDEWEB)
Schlaich, Andreas
2015-07-01
In this work, an investigation of vacuum electronic oscillators capable of generating multi-megawatt continuous wave output power in the millimeter-wave range (so-called gyrotrons) through spectral measurements is presented. The centerpiece is the development of a measurement system with a high dynamic range (50-60 dB) for time-dependent spectrum analysis, covering the frequency range 100-170 GHz with instantaneous bandwidths of 6-12 GHz. Despite relying on heterodyne reception through harmonic mixers, the Pulse Spectrum Analysis (PSA) system maintains RF unambiguity in the spectrogram output through the application of a novel RF reconstruction technique. Using the new possibilities, a wide range of spectral phenomena in gyrotrons has been investigated, such as cavity mode jumps, lowfrequency modulation, frequency tuning in long pulses and the spectral behavior during the presence of an RF window arc. A dedicated investigation on parasitic RF oscillations in W7-X gyrotrons combining several analysis techniques led to the conclusion that after-cavity oscillations can be physical reality in high power gyrotrons, and are the probable cause for the undesired signals observed. Apart from systematic parameter sweeps using the PSA system, an analytical dispersion analysis in the Brillouin diagram was applied, and numerical gyrotron interaction simulations of unprecedented extent were conducted. Furthermore, the improved frequency measurement capabilities were employed to analyze the frequency tuning through thermal expansion and electrostatic neutralization caused by ionization inside the tube in long-pulse operation. By macroscopically modeling the gas dynamics and ionization processes in combination with a fitting process, the time dependences of the two processes could be investigated. In doing so, indication was found that the neutralization in W7-X gyrotrons amounts to only 60% of the electrostatic depression voltage, instead of 100% as widely believed for
The photodissociation of 8B and the solar neutrino problem
International Nuclear Information System (INIS)
Bertulani, C.A.
1995-01-01
The extraction of the photodissociation cross sections of 8 B from Coulomb dissociation experiments is investigated. A careful study is done on the contributions of the E1, E2 and M1 multipolarities to the breakup. A comparison with the data of a recent experiment is performed. It is shown that the extraction of the radiative capture cross sections 7 Be(p, γ) 8 B which are relevant for the solar neutrino problem is not affected appreciably by Coulomb reacceleration. A non-perturbative model is used for the purpose. Emphasis is put on the perspectives for future experiments which are planned at the University of Notre Dame, RIKEN (Japan), and GSI (Germany). An analysis of the total yields of ''photon-point'' processes in inelastic electron scattering is also done. (orig.)
The Time-Dependent Chemistry of Cometary Debris in the Solar Corona
Pesnell, W. D.; Bryans, P.
2015-01-01
Recent improvements in solar observations have greatly progressed the study of sungrazing comets. They can now be imaged along the entirety of their perihelion passage through the solar atmosphere, revealing details of their composition and structure not measurable through previous observations in the less volatile region of the orbit further from the solar surface. Such comets are also unique probes of the solar atmosphere. The debris deposited by sungrazers is rapidly ionized and subsequently influenced by the ambient magnetic field. Measuring the spectral signature of the deposited material highlights the topology of the magnetic field and can reveal plasma parameters such as the electron temperature and density. Recovering these variables from the observable data requires a model of the interaction of the cometary species with the atmosphere through which they pass. The present paper offers such a model by considering the time-dependent chemistry of sublimated cometary species as they interact with the solar radiation field and coronal plasma. We expand on a previous simplified model by considering the fully time-dependent solutions of the emitting species' densities. To compare with observations, we consider a spherically symmetric expansion of the sublimated material into the corona and convert the time-dependent ion densities to radial profiles. Using emissivities from the CHIANTI database and plasma parameters derived from a magnetohydrodynamic simulation leads to a spatially dependent emission spectrum that can be directly compared with observations. We find our simulated spectra to be consistent with observation.
International Nuclear Information System (INIS)
Kazansky, A.K.; Selles, P.; Malegat, L.
2003-01-01
The hyperspherical time-dependent method with semiclassical outgoing waves for study of double photoionization of helium is presented. It is closely related to the hyperspherical R-matrix method with semiclassical outgoing waves [Phys. Rev. A 65, 032711 (2002)]: both split configuration space into two regions to solve the stationary inhomogeneous Schroedinger equation associated with the one-photon ionization problem, and both apply the same treatment to the outer region. However, the two methods differ radically in their treatments of the problem in the inner region: the most recent one applies a time-dependent approach for calculating the stationary wave function, while the previous one uses a R-matrix treatment. The excellent agreement observed between the triple differential cross sections obtained from these two basically different methods provides very strong support for both of them. Importantly, the very different numerical structures of both methods might make the most recent one a better candidate for investigating the near-threshold region
submitter Time-dependent CP violation in charm mesons
Inguglia, Gianluca
CP violation is a well established phenomenon for B and K mesons, but for D0 mesons, bound states made up of a quark-antiquark pair containing a charm quark, a conclusive answer to the question whether there is CP vio- lation or not, has yet to be determined. I show here the phenomenology of time-dependent CP asymmetries in charm decays, and discuss the implica- tions of experimental tests aimed at the measurement of CP violation in the interference between mixing and decays of charm mesons, in particular when studying the decay channels D0 ! h+h (h = K; ). The decay channels considered can also be used to constrain quantities that are poorly measured or still to be investigated, such as MIX and c;eff , provided that the e ects of penguin pollution are ignored. I considered correlated production of D0 mesons at the SuperB experiment and its planned asymmetric run at the charm threshold and performed a study of simulated events, nding that a boost factor = 0:28 would not be su cient to produce competitive re- ...
Learning Probabilistic Inference through Spike-Timing-Dependent Plasticity.
Pecevski, Dejan; Maass, Wolfgang
2016-01-01
Numerous experimental data show that the brain is able to extract information from complex, uncertain, and often ambiguous experiences. Furthermore, it can use such learnt information for decision making through probabilistic inference. Several models have been proposed that aim at explaining how probabilistic inference could be performed by networks of neurons in the brain. We propose here a model that can also explain how such neural network could acquire the necessary information for that from examples. We show that spike-timing-dependent plasticity in combination with intrinsic plasticity generates in ensembles of pyramidal cells with lateral inhibition a fundamental building block for that: probabilistic associations between neurons that represent through their firing current values of random variables. Furthermore, by combining such adaptive network motifs in a recursive manner the resulting network is enabled to extract statistical information from complex input streams, and to build an internal model for the distribution p (*) that generates the examples it receives. This holds even if p (*) contains higher-order moments. The analysis of this learning process is supported by a rigorous theoretical foundation. Furthermore, we show that the network can use the learnt internal model immediately for prediction, decision making, and other types of probabilistic inference.
Learning Probabilistic Inference through Spike-Timing-Dependent Plasticity123
Pecevski, Dejan
2016-01-01
Abstract Numerous experimental data show that the brain is able to extract information from complex, uncertain, and often ambiguous experiences. Furthermore, it can use such learnt information for decision making through probabilistic inference. Several models have been proposed that aim at explaining how probabilistic inference could be performed by networks of neurons in the brain. We propose here a model that can also explain how such neural network could acquire the necessary information for that from examples. We show that spike-timing-dependent plasticity in combination with intrinsic plasticity generates in ensembles of pyramidal cells with lateral inhibition a fundamental building block for that: probabilistic associations between neurons that represent through their firing current values of random variables. Furthermore, by combining such adaptive network motifs in a recursive manner the resulting network is enabled to extract statistical information from complex input streams, and to build an internal model for the distribution p* that generates the examples it receives. This holds even if p* contains higher-order moments. The analysis of this learning process is supported by a rigorous theoretical foundation. Furthermore, we show that the network can use the learnt internal model immediately for prediction, decision making, and other types of probabilistic inference. PMID:27419214
Effects of time-dependent photoionization on interstellar pickup atoms
International Nuclear Information System (INIS)
Isenberg, P.A.; Lee, M.A.
1995-01-01
We present an analytical model for the density variations of interstellar pickup ions in the solar wind due to a time-dependent variation in the photoionization rate, our model predicts a pickup ion density enhancement lasting for a time of the order of the duration of the increase plus the solar wind convection time to the observation point. If the photoionization rate returns to its initial value, this enhancement is followed by a decreased pickup ion density resulting from a depleted interstellar neutral particle density. In the absence of further variations in the photoionization rate, the pickup ion density recovers on a time which scales as the radial position of the observation point divided by the inflow speed of the neutral particles. Gradual variations in the photoionization rate result in a pickup ion density which tends to track the ionization rate, though the density variations are smoothed and delayed in time due to the solar wind convection of ions picked up at points closer to the Sun. 27 refs., 4 figs
Time-dependent efficacy of longitudinal biomarker for clinical endpoint.
Kolamunnage-Dona, Ruwanthi; Williamson, Paula R
2018-06-01
Joint modelling of longitudinal biomarker and event-time processes has gained its popularity in recent years as they yield more accurate and precise estimates. Considering this modelling framework, a new methodology for evaluating the time-dependent efficacy of a longitudinal biomarker for clinical endpoint is proposed in this article. In particular, the proposed model assesses how well longitudinally repeated measurements of a biomarker over various time periods (0,t) distinguish between individuals who developed the disease by time t and individuals who remain disease-free beyond time t. The receiver operating characteristic curve is used to provide the corresponding efficacy summaries at various t based on the association between longitudinal biomarker trajectory and risk of clinical endpoint prior to each time point. The model also allows detecting the time period over which a biomarker should be monitored for its best discriminatory value. The proposed approach is evaluated through simulation and illustrated on the motivating dataset from a prospective observational study of biomarkers to diagnose the onset of sepsis.
Time-Dependent Liquid Transport on a Biomimetic Topological Surface.
Yu, Cunlong; Li, Chuxin; Gao, Can; Dong, Zhichao; Wu, Lei; Jiang, Lei
2018-05-02
Liquid drops impacting on a solid surface is a familiar phenomenon. On rainy days, it is quite important for leaves to drain off impacting raindrops. Water can bounce off or flow down a water-repellent leaf easily, but with difficulty on a hydrophilic leaf. Here, we show an interesting phenomenon in which impacting drops on the hydrophilic pitcher rim of Nepenthes alata can spread outward to prohibit water filling the pitcher tank. We mimic the peristome surface through a designed 3D printing and replicating way and report a time-dependently switchable liquid transport based on biomimetic topological structures, where surface curvature can work synergistically with the surface microtextures to manipulate the switchable spreading performance. Motived by this strange behavior, we construct a large-scaled peristome-mimetic surface in a 3D profile, demonstrating the ability to reduce the need to mop or to squeegee drops that form during the drop impacting process on pipes or other curved surfaces in food processing, moisture transfer, heat management, etc.
Chaos in Time-Dependent Space-Charge Potentials
Betzel, Gregory T; Sideris, Ioannis V
2005-01-01
We consider a spherically symmetric, homologously breathing, space-charge-dominated beam bunch in the spirit of the particle-core model. The question we ask is: How does the time dependence influence the population of chaotic orbits? The static beam has zero chaotic orbits; the equation of particle motion is integrable up to quadrature. This is generally not true once the bunch is set into oscillation. We quantify the population of chaotic orbits as a function of space charge and oscillation amplitude (mismatch). We also apply a newly developed measure of chaos, one that distinguishes between regular, sticky, and wildly chaotic orbits, to characterize the phase space in detail. We then introduce colored noise into the system and show how its presence modifies the dynamics. One finding is that, despite the presence of a sizeable population of chaotic orbits, halo formation in the homologously breathing beam is much less prevalent than in an envelope-matched counterpart wherein an internal collective mode is ex...
Time-dependent, multimode interaction analysis of the gyroklystron amplifier
Energy Technology Data Exchange (ETDEWEB)
Swati, M. V., E-mail: swati.mv.ece10@iitbhu.ac.in; Chauhan, M. S.; Jain, P. K. [Department of Electronics Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi 221005 (India)
2016-08-15
In this paper, a time-dependent multimode nonlinear analysis for the gyroklystron amplifier has been developed by extending the analysis of gyrotron oscillators by employing the self-consistent approach. The nonlinear analysis developed here has been validated by taking into account the reported experimental results for a 32.3 GHz, three cavity, second harmonic gyroklystron operating in the TE{sub 02} mode. The analysis has been used to estimate the temporal RF growth in the operating mode as well as the nearby competing modes. Device gain and bandwidth have been computed for different drive powers and frequencies. The effect of various beam parameters, such as beam voltage, beam current, and pitch factor, has also been studied. The computational results have estimated the gyroklystron saturated RF power ∼319 kW at 32.3 GHz with efficiency ∼23% and gain ∼26.3 dB with device bandwidth ∼0.027% (8 MHz) for a 70 kV, 20 A electron beam. The computed results are found to be in agreement with the experimental values within 10%.
Fitting a function to time-dependent ensemble averaged data.
Fogelmark, Karl; Lomholt, Michael A; Irbäck, Anders; Ambjörnsson, Tobias
2018-05-03
Time-dependent ensemble averages, i.e., trajectory-based averages of some observable, are of importance in many fields of science. A crucial objective when interpreting such data is to fit these averages (for instance, squared displacements) with a function and extract parameters (such as diffusion constants). A commonly overlooked challenge in such function fitting procedures is that fluctuations around mean values, by construction, exhibit temporal correlations. We show that the only available general purpose function fitting methods, correlated chi-square method and the weighted least squares method (which neglects correlation), fail at either robust parameter estimation or accurate error estimation. We remedy this by deriving a new closed-form error estimation formula for weighted least square fitting. The new formula uses the full covariance matrix, i.e., rigorously includes temporal correlations, but is free of the robustness issues, inherent to the correlated chi-square method. We demonstrate its accuracy in four examples of importance in many fields: Brownian motion, damped harmonic oscillation, fractional Brownian motion and continuous time random walks. We also successfully apply our method, weighted least squares including correlation in error estimation (WLS-ICE), to particle tracking data. The WLS-ICE method is applicable to arbitrary fit functions, and we provide a publically available WLS-ICE software.
Radiation induced time dependent attenuation in a fiber
International Nuclear Information System (INIS)
Kelly, R.E.; Lyons, P.B.; Looney, L.D.
1985-01-01
Characteristics describing the time dependent attenuation coefficient of an optical fiber during and following a very short and intense radiation pulse are analyzed. This problem is important for transmission applications when the fiber is subjected to gamma, electron, or neutron beams. Besides time, the attenuation coefficient is a function of temperature, dose rate, dose, nature of the radiation (n, e, γ), fiber composition and purity, pre-existing solid state defects, and wavelength of the transmitted signal. The peak attenuation for a given fiber is mainly determined by the dose rate and pulse length, but temperature and strain (or athermal) annealing also contribute to a partial recovery during the pulse duration. The peak attenuation per unit dose appears to be smaller at high doses, perhaps caused by particle track overlap, which produces a saturation effect. After pulse termination, the attenuation coefficient tends to recover towards its pre-radiation value at different rates, depending upon the factors mentioned above. In particular, ionized electrons relax back to the positive lattice ions at a rate which depends upon initial separation distance and temperature. The initial separation distance is a function of beam energy. Some electrons will encounter a trap in the lattice and may recombine by quantum mechanical tunneling or be removed by photons (hence, absorption). Besides ionization, radiation may induce lattice displacements which in turn produce additional absorption centers. The displacement contribution has a different time constant than that associated with ionization. These topics, as they influence fiber characteristics, are discussed, along with supporting experimental data
Time-dependent Fracture Behaviour of Polyampholyte Hydrogels
Sun, Tao Lin; Luo, Feng; Nakajima, Tasuku; Kurokawa, Takayuki; Gong, Jian Ping
Recently, we report that polyampholytes, polymers bearing randomly dispersed cationic and anionic repeat groups, form tough and self-healing hydrogels with excellent multiple mechanical functions. The randomness makes ionic bonds with a wide distribution of strength, via inter and intra chain complexation. As the breaking and reforming of ionic bonds are time dependent, the hydrogels exhibit rate dependent mechanical behaviour. We systematically studied the tearing energy by tearing test with various tearing velocity under different temperature, and the linear viscoelastic behaviour over a wide range of frequency and temperature. Results have shown that the tearing energy markedly increase with the crack velocity and decrease with the measured temperature. In accordance with the prediction of Williams, Landel, and Ferry (WLF) rate-temperature equivalence, a master curve of tearing energy dependence of crack velocity can be well constructed using the same shift factor from the linear viscoelastic data. The scaling relation of tearing energy as a function of crack velocity can be predicted well by the rheological data according to the developed linear fracture mechanics.
Physical implementation of pair-based spike timing dependent plasticity
International Nuclear Information System (INIS)
Azghadi, M.R.; Al-Sarawi, S.; Iannella, N.; Abbott, D.
2011-01-01
Full text: Objective Spike-timing-dependent plasticity (STOP) is one of several plasticity rules which leads to learning and memory in the brain. STOP induces synaptic weight changes based on the timing of the pre- and post-synaptic neurons. A neural network which can mimic the adaptive capability of biological brains in the temporal domain, requires the weight of single connections to be altered by spike timing. To physically realise this network into silicon, a large number of interconnected STOP circuits on the same substrate is required. This imposes two significant limitations in terms of power and area. To cover these limitations, very large scale integrated circuit (VLSI) technology provides attractive features in terms of low power and small area requirements. An example is demonstrated by (lndiveli et al. 2006). The objective of this paper is to present a new implementation of the STOP circuit which demonstrates better power and area in comparison to previous implementations. Methods The proposed circuit uses complementary metal oxide semiconductor (CMOS) technology as depicted in Fig. I. The synaptic weight can be stored on a capacitor and charging/discharging current can lead to potentiation and depression. HSpice simulation results demonstrate that the average power, peak power, and area of the proposed circuit have been reduced by 6, 8 and 15%, respectively, in comparison with Indiveri's implementation. These improvements naturally lead to packing more STOP circuits onto the same substrate, when compared to previous proposals. Hence, this new implementation is quite interesting for real-world large neural networks.
Complexities in gauging time-dependency of proliferation resistance
International Nuclear Information System (INIS)
Avens, L.R.; Eller, P.G.; Stanbro, W.D.
2004-01-01
To a considerable extent, policy decisions on nuclear fuel cycle issues depend upon how decision makers recognize and weigh 'long-term' and 'short-term' nuclear proliferation risk factors. Priorities and structures of advanced fuel cycle and safeguards research and development programs are affected similarly. Unfortunately, there is a diversity of understanding of the precise meanings of these proliferation risk terms, leading to lack of precision in their usage. In addition, proliferation risk evaluation fundamentally involves value judgments on the relative importance of time-dependent risks. Poor communication and diverse conclusions often result. This paper explores some complexities in gauging 'long-term' and 'short-term' proliferation risk in the context of advanced nuclear fuel cycles. A convenient vehicle for this purpose is a commonly used notional plot of some proliferation resistance attribute of spent fuel or separated plutonium versus years from reactor discharge, often overlain with similar notional curves denoting multiple fuel irradiation and recycle. A common basis for misuse of such plots is failure to clearly define the range of proliferation threats being evaluated, as illustrated by several common examples of such omissions. Partial arguments of this type can be misleading and provide a disservice to policy makers who must have a clear picture of the tradeoffs being made. This paper concludes with a call for much greater care to avoid overly simplistic interpretations of notional proliferation-related concepts and greater precision in general in use of proliferation-related terminology.
Multiscale time-dependent density functional theory: Demonstration for plasmons.
Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J
2017-08-07
Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.
Time-dependent motor properties of multipedal molecular spiders.
Samii, Laleh; Blab, Gerhard A; Bromley, Elizabeth H C; Linke, Heiner; Curmi, Paul M G; Zuckermann, Martin J; Forde, Nancy R
2011-09-01
Molecular spiders are synthetic biomolecular walkers that use the asymmetry resulting from cleavage of their tracks to bias the direction of their stepping motion. Using Monte Carlo simulations that implement the Gillespie algorithm, we investigate the dependence of the biased motion of molecular spiders, along with binding time and processivity, on tunable experimental parameters, such as number of legs, span between the legs, and unbinding rate of a leg from a substrate site. We find that an increase in the number of legs increases the spiders' processivity and binding time but not their mean velocity. However, we can increase the mean velocity of spiders with simultaneous tuning of the span and the unbinding rate of a spider leg from a substrate site. To study the efficiency of molecular spiders, we introduce a time-dependent expression for the thermodynamic efficiency of a molecular motor, allowing us to account for the behavior of spider populations as a function of time. Based on this definition, we find that spiders exhibit transient motor function over time scales of many hours and have a maximum efficiency on the order of 1%, weak compared to other types of molecular motors.
Time-dependent simulations of disk-embedded planetary atmospheres
Stökl, A.; Dorfi, E. A.
2014-03-01
At the early stages of evolution of planetary systems, young Earth-like planets still embedded in the protoplanetary disk accumulate disk gas gravitationally into planetary atmospheres. The established way to study such atmospheres are hydrostatic models, even though in many cases the assumption of stationarity is unlikely to be fulfilled. Furthermore, such models rely on the specification of a planetary luminosity, attributed to a continuous, highly uncertain accretion of planetesimals onto the surface of the solid core. We present for the first time time-dependent, dynamic simulations of the accretion of nebula gas into an atmosphere around a proto-planet and the evolution of such embedded atmospheres while integrating the thermal energy budget of the solid core. The spherical symmetric models computed with the TAPIR-Code (short for The adaptive, implicit RHD-Code) range from the surface of the rocky core up to the Hill radius where the surrounding protoplanetary disk provides the boundary conditions. The TAPIR-Code includes the hydrodynamics equations, gray radiative transport and convective energy transport. The results indicate that diskembedded planetary atmospheres evolve along comparatively simple outlines and in particular settle, dependent on the mass of the solid core, at characteristic surface temperatures and planetary luminosities, quite independent on numerical parameters and initial conditions. For sufficiently massive cores, this evolution ultimately also leads to runaway accretion and the formation of a gas planet.
Time-dependent histamine release from stored human blood products
DEFF Research Database (Denmark)
Nielsen, Hans Jørgen; Edvardsen, L; Vangsgaard, K
1996-01-01
storage. Whole blood (six units), plasma-reduced whole blood (six units), and plasma- and buffy coat-reduced (saline-adenine-glucose-mannitol) (SAGM) blood (six units) from unpaid healthy donors were stored in the blood bank for 35 days at 4 degrees C. Plasma histamine and total cell-bound histamine......Perioperative transfusion of whole blood has been shown to amplify trauma-induced immunosuppression, which could be attenuated by perioperative administration of histamine2 receptor antagonists. Supernatants from different blood products were, therefore, analysed for histamine content during.......0 (range 176.0-910.0) nmol/l in whole blood and 475.0 (range 360.0-1560.0) nmol/l in plasma-reduced whole blood, while it was undetectable in SAGM blood. Spontaneous histamine release increased in a time-dependent manner from a median of 6.7 (range 2.2-17.4) nmol/l at the time of storage to 175.0 (range 33...
Time-dependent effect in green synthesis of silver nanoparticles
Directory of Open Access Journals (Sweden)
Darroudi M
2011-04-01
Full Text Available Majid Darroudi1,2, Mansor Bin Ahmad3, Reza Zamiri4, AK Zak5, Abdul Halim Abdullah1,3, Nor Azowa Ibrahim31Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology (ITMA, Universiti Putra Malaysia, Selangor, Malaysia; 2Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran; 3Department of Chemistry, 4Department of Physics, Faculty of Science, Universiti Putra Malaysia, Selangor, Malaysia; 5Low Dimensional Materials Research Center, Department of Physics, Faculty of Science, University of Malaya, Kuala Lumpur, MalaysiaAbstract: The application of “green” chemistry rules to nanoscience and nanotechnology is very important in the preparation of various nanomaterials. In this work, we successfully developed an eco-friendly chemistry method for preparing silver nanoparticles (Ag-NPs in natural polymeric media. The colloidal Ag-NPs were synthesized in an aqueous solution using silver nitrate, gelatin, and glucose as a silver precursor, stabilizer, and reducing agent, respectively. The properties of synthesized colloidal Ag-NPs were studied at different reaction times. The ultraviolet-visible (UV-vis spectra were in excellent agreement with the obtained nanostructure studies performed by transmission electron microscopy (TEM and their size distributions. The prepared samples were also characterized by X-ray diffraction (XRD and atomic force microscopy (AFM. The use of eco-friendly reagents, such as gelatin and glucose, provides green and economic attributes to this work.Keywords: silver nanoparticles, gelatin, green chemistry, time-dependent effect, ultraviolet-visible spectra
Residual distribution for general time-dependent conservation laws
International Nuclear Information System (INIS)
Ricchiuto, Mario; Csik, Arpad; Deconinck, Herman
2005-01-01
We consider the second-order accurate numerical solution of general time-dependent hyperbolic conservation laws over unstructured grids in the framework of the Residual Distribution method. In order to achieve full conservation of the linear, monotone and first-order space-time schemes of (Csik et al., 2003) and (Abgrall et al., 2000), we extend the conservative residual distribution (CRD) formulation of (Csik et al., 2002) to prismatic space-time elements. We then study the design of second-order accurate and monotone schemes via the nonlinear mapping of the local residuals of linear monotone schemes. We derive sufficient and necessary conditions for the well-posedness of the mapping. We prove that the schemes obtained with the CRD formulation satisfy these conditions by construction. Thus the nonlinear schemes proposed in this paper are always well defined. The performance of the linear and nonlinear schemes are evaluated on a series of test problems involving the solution of the Euler equations and of a two-phase flow model. We consider the resolution of strong shocks and complex interacting flow structures. The results demonstrate the robustness, accuracy and non-oscillatory character of the proposed schemes. d schemes
Transient fluctuation relations for time-dependent particle transport
Altland, Alexander; de Martino, Alessandro; Egger, Reinhold; Narozhny, Boris
2010-09-01
We consider particle transport under the influence of time-varying driving forces, where fluctuation relations connect the statistics of pairs of time-reversed evolutions of physical observables. In many “mesoscopic” transport processes, the effective many-particle dynamics is dominantly classical while the microscopic rates governing particle motion are of quantum-mechanical origin. We here employ the stochastic path-integral approach as an optimal tool to probe the fluctuation statistics in such applications. Describing the classical limit of the Keldysh quantum nonequilibrium field theory, the stochastic path integral encapsulates the quantum origin of microscopic particle exchange rates. Dynamically, it is equivalent to a transport master equation which is a formalism general enough to describe many applications of practical interest. We apply the stochastic path integral to derive general functional fluctuation relations for current flow induced by time-varying forces. We show that the successive measurement processes implied by this setup do not put the derivation of quantum fluctuation relations in jeopardy. While in many cases the fluctuation relation for a full time-dependent current profile may contain excessive information, we formulate a number of reduced relations, and demonstrate their application to mesoscopic transport. Examples include the distribution of transmitted charge, where we show that the derivation of a fluctuation relation requires the combined monitoring of the statistics of charge and work.
Erratic time dependence of orbits of topologically mixing maps
International Nuclear Information System (INIS)
Xiong Jincheng.
1988-11-01
In the present paper we show that for a topologically mixing map there are considerably many points in the domain whose orbits display highly erratic time dependence, i.e., if f: X→X is a topologically mixing map where X is a compact metric space then for any increasing sequence {q i } of positive integers and any countable subset S dense in X there exists everywhere an uncountable subset C of X satisfying the conditions of (1) for any s is an element of S. There exists a subsequence {p i } of the sequence {q i } such that lim i→∞ f P 1 (y)=s for every y is an element of C, and (2) for any n>0, any n distinct points y 1 ,y 2 ,...,y n of C and any n points x 1 ,x 2 ,...,x n of X there exists a subsequence {t i } of the sequence {q i } such that lim i→∞ f t i (y j )=x j for every j=1,2,...n. (author). 4 refs
Photodissociation of HBr/LiF(001) - A quantum mechanical model
Seideman, Tamar
1993-01-01
The photodissociation dynamics of HBr adsorbed on an LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation line shape and the Br(2P(1/2))/Br(2P(3/2)) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. We find the field polarization to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.
Photodissociation of HBr/LiF(001): A quantum mechanical model
Seideman, Tamar
1993-01-01
The photodissociation dynamics of HBr adsorbed on a LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation lineshape and the Br(P(sub 1/2)-2)/Br(P(sub 3/2)-2) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. The field polarization is found to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.
Dose- and time-dependent pharmacokinetics of apigenin trimethyl ether.
Elhennawy, Mai Gamal; Lin, Hai-Shu
2018-06-15
Apigenin trimethyl ether (5,7,4'-trimethoxyflavone, ATE), one of the key polymethoxyflavones present in black ginger (rhizome of Kaempferia parviflora) possesses various health-promoting activities. To optimize its medicinal application, the pharmacokinetics of ATE was assessed in Sprague-Dawley rats with emphases to identify the impacts from dose and repeated dosing on its major pharmacokinetic parameters. Plasma ATE levels were monitored by liquid chromatography-tandem mass spectrometry (LC-MS/MS) method. Upon single intravenous administration (2 mg/kg), plasma levels of ATE declined through an apparent first-order process while dose-escalation to 4 and 8 mg/kg led to its non-linear disposition, which could be described by the Michaelis-Menten model. Similarly, dose-dependent oral pharmacokinetics was confirmed and when the dose was escalated from 5 to 15 and 45 mg/kg, much longer mean residence time (MRT 0→last ), higher dose-normalized maximal plasma concentration (C max /Dose) and exposure (AUC/Dose) were observed at 15 and/or 45 mg/kg. One-week daily oral administration of ATE at 15 mg/kg caused its accelerated elimination and the plasma exposure (AUC) after intravenous (2 mg/kg) and oral administration (15 mg/kg) dropped ~40 and 60%, respectively. As ATE displayed both dose- and time-dependent pharmacokinetics, caution is needed in the medicinal applications of ATE and/or black ginger. Copyright © 2018 Elsevier B.V. All rights reserved.
A simple shear limited, single size, time dependent flocculation model
Kuprenas, R.; Tran, D. A.; Strom, K.
2017-12-01
This research focuses on the modeling of flocculation of cohesive sediment due to turbulent shear, specifically, investigating the dependency of flocculation on the concentration of cohesive sediment. Flocculation is important in larger sediment transport models as cohesive particles can create aggregates which are orders of magnitude larger than their unflocculated state. As the settling velocity of each particle is determined by the sediment size, density, and shape, accounting for this aggregation is important in determining where the sediment is deposited. This study provides a new formulation for flocculation of cohesive sediment by modifying the Winterwerp (1998) flocculation model (W98) so that it limits floc size to that of the Kolmogorov micro length scale. The W98 model is a simple approach that calculates the average floc size as a function of time. Because of its simplicity, the W98 model is ideal for implementing into larger sediment transport models; however, the model tends to over predict the dependency of the floc size on concentration. It was found that the modification of the coefficients within the original model did not allow for the model to capture the dependency on concentration. Therefore, a new term within the breakup kernel of the W98 formulation was added. The new formulation results is a single size, shear limited, and time dependent flocculation model that is able to effectively capture the dependency of the equilibrium size of flocs on both suspended sediment concentration and the time to equilibrium. The overall behavior of the new model is explored and showed align well with other studies on flocculation. Winterwerp, J. C. (1998). A simple model for turbulence induced flocculation of cohesive sediment. .Journal of Hydraulic Research, 36(3):309-326.
Spike-timing dependent plasticity and the cognitive map
Directory of Open Access Journals (Sweden)
Daniel eBush
2010-10-01
Full Text Available Since the discovery of place cells – single pyramidal neurons that encode spatial location – it has been hypothesised that the hippocampus may act as a cognitive map of known environments. This putative function has been extensively modelled using auto-associative networks, which utilise rate-coded synaptic plasticity rules in order to generate strong bi-directional connections between concurrently active place cells that encode for neighbouring place fields. However, empirical studies using hippocampal cultures have demonstrated that the magnitude and direction of changes in synaptic strength can also be dictated by the relative timing of pre- and post- synaptic firing according to a spike-timing dependent plasticity (STDP rule. Furthermore, electrophysiology studies have identified persistent ‘theta-coded’ temporal correlations in place cell activity in vivo, characterised by phase precession of firing as the corresponding place field is traversed. It is not yet clear if STDP and theta-coded neural dynamics are compatible with cognitive map theory and previous rate-coded models of spatial learning in the hippocampus. Here, we demonstrate that an STDP rule based on empirical data obtained from the hippocampus can mediate rate-coded Hebbian learning when pre- and post- synaptic activity is stochastic and has no persistent sequence bias. We subsequently demonstrate that a spiking recurrent neural network that utilises this STDP rule, alongside theta-coded neural activity, allows the rapid development of a cognitive map during directed or random exploration of an environment of overlapping place fields. Hence, we establish that STDP and phase precession are compatible with rate-coded models of cognitive map development.
Spike-timing dependent plasticity and the cognitive map.
Bush, Daniel; Philippides, Andrew; Husbands, Phil; O'Shea, Michael
2010-01-01
Since the discovery of place cells - single pyramidal neurons that encode spatial location - it has been hypothesized that the hippocampus may act as a cognitive map of known environments. This putative function has been extensively modeled using auto-associative networks, which utilize rate-coded synaptic plasticity rules in order to generate strong bi-directional connections between concurrently active place cells that encode for neighboring place fields. However, empirical studies using hippocampal cultures have demonstrated that the magnitude and direction of changes in synaptic strength can also be dictated by the relative timing of pre- and post-synaptic firing according to a spike-timing dependent plasticity (STDP) rule. Furthermore, electrophysiology studies have identified persistent "theta-coded" temporal correlations in place cell activity in vivo, characterized by phase precession of firing as the corresponding place field is traversed. It is not yet clear if STDP and theta-coded neural dynamics are compatible with cognitive map theory and previous rate-coded models of spatial learning in the hippocampus. Here, we demonstrate that an STDP rule based on empirical data obtained from the hippocampus can mediate rate-coded Hebbian learning when pre- and post-synaptic activity is stochastic and has no persistent sequence bias. We subsequently demonstrate that a spiking recurrent neural network that utilizes this STDP rule, alongside theta-coded neural activity, allows the rapid development of a cognitive map during directed or random exploration of an environment of overlapping place fields. Hence, we establish that STDP and phase precession are compatible with rate-coded models of cognitive map development.
Pharmacokinetics: time-dependent changes--autoinduction of carbamazepine epoxidation
International Nuclear Information System (INIS)
Bertilsson, L.; Tomson, T.; Tybring, G.
1986-01-01
Drugs labeled with stable isotopes have been useful to study time-dependent changes in kinetics. Early studies suggested that carbamazepine (CBZ) may induce its own metabolism, but this could not be proved until tetradeuterium-labeled CBZ (CBZ-D4) was synthesized and then given to patients. CBZ-D4 was administered to three children during long-term treatment of epilepsy with CBZ. After 17 to 32 days of treatment, the plasma clearance of CBZ-D4 was doubled, but during the next four months, there was no further increase, indicating that autoinduction was complete within one month. Two patients with chronic alcoholism were treated with CBZ for five days. Half of the first dose of 600 mg was comprised of CBZ-D4. The half-life of this CBZ-D4 dose in the two patients (20 and 26 hr, respectively) was similar to the post-steady-state half-life of CBZ (23 hr in both patients) measured later. A single dose of CBZ given one week after the last maintenance dose had a longer half-life (46 and 45 hr, respectively), which probably is close to the disposition of the drug before starting the treatment with CBZ. This shows that autoinduction of CBZ metabolism was completed during the very first doses of CBZ. Autoinduction also disappeared rapidly after stopping the treatment. We have shown that it is mainly the epoxide-diol pathway that is induced, both during autoinduction and after induction with other antiepileptic agents
Time dependence of microsecond intense electron beam transport in gases
International Nuclear Information System (INIS)
Lucey, R.F. Jr.; Gilgenback, R.M.; Tucker, J.E.; Brake, M.L.; Enloe, C.L.; Repetti, T.E.
1987-01-01
The authors present results of long-pulse (0.5 μs) electron beam propagation in the ion focused regime (IFR). Electron beam parameters are 800 kV with several hundred amperes injected current. For injection into air (from 0.7 mTorr to 75 mTorr) and helium (from 14 mTorr to 227 mTorr) the authors observe a ''time-dependent propagation window'' in which efficient (up to 100%) propagation starts at a time comparable to the electron impact ionization time needed to achieve n/sub i/ -- (1/γ/sup 2/)n/sub eb/. The transport goes abruptly to zero about 50-150 ns after this initial propagation. This is followed by erratic propagation often consisting of numerous narrower pulses 10-40 ns wide. In these pulses the transported current can be 100% of the injected current, but is generally lower. As the fill pressure is increased, there are differences in the propagated beam pulse, which can be summarized as follows: 1) the temporal occurrence of the beam propagation window shifts to earlier times, 2) the propagated beam current has much faster risetimes, 3) a larger portion of the injected beam is propagated. Similar results are observed when the electron beam is propagated in helium. However, at a given pressure, the beam transport window occurs at later times and exhibits a slower risetime. These effects are consistent with electron beam-induced ionization. Experiments are being performed to determine if the observed beam instability is due to the ion hose instability or streaming instability
Selective control of HOD photodissociation using CW lasers
Indian Academy of Sciences (India)
WINTEC
quency bandwidth to permit mechanistic analysis based on excitation of ... corresponding nuclear motion can then be performed using the time-dependent .... expansion manifold of (3) using spatial and temporal details presented earlier and ...
TWODEE-2/MOD3, 2-D Time-Dependent Fuel Elements Thermal Analysis after PWR LOCA
International Nuclear Information System (INIS)
Lauben, G. N.
2001-01-01
1 - Description of problem or function: WREM-TOODEE2 is a two- dimensional, time-dependent, fuel-element thermal analysis program. Its primary purpose is to evaluate fuel-element thermal response during post-LOCA refill and reflood in a pressurized water reactor (PWR). 2 - Method of solution: TOODEE2 calculations are carried out in a two-dimensional mesh region defined in slab or cylindrical geometry by orthogonal grid lines. Coordinates which form order pairs are labeled x-y in slab geometry, and those in cylindrical geometry are labeled r-z for the axisymmetric case and r-theta for the polar case. Conduction and radiation are the only heat transfer mechanisms assumed within the boundaries of the mesh region. Convective and boiling heat transfer mechanisms are assumed at the boundaries. The program numerically solves the two-dimensional, time-dependent, heat conduction equation within the mesh region. 3 - Restrictions on the complexity of the problem: WREM-TOODEE2 considers only axisymmetric geometry although the equations for slab and polar geometry are included in the program
Quantum Drude friction for time-dependent density functional theory
Neuhauser, Daniel; Lopata, Kenneth
2008-10-01
way to very simple finite grid description of scattering and multistage conductance using time-dependent density functional theory away from the linear regime, just as absorbing potentials and self-energies are useful for noninteracting systems and leads.
Spin transitions in time-dependent magnetic fields
International Nuclear Information System (INIS)
Garisto, F.; Sanctuary, B.C.
1981-01-01
Nonadiabatic transitions in state-selection experiments on beams of metastable hydrogen atoms (2S/sub 1/2/) display oscillations in the population of the F=1, m=-1 state [R. D. Hight and R. T. Robiscoe, Phys. Rev. A 17, 561 (1978)]. In this paper, theoretical calculations using exact and model solenoid fields averaged over a velocity distribution show that the population oscillations arise from the presence of at least two nonadiabatic regions in the solenoid. No oscillations occur theoretically if only a single nonadiabatic region exists, unless the unlikely assumption of a coherent hydrogen-atom beam is invoked
Existence of a time-dependent heat flux-related ponderomotive effect
International Nuclear Information System (INIS)
Schamel, H.; Sack, C.
1980-01-01
The existence of a new ponderomotive effect associated with high-frequency waves is pointed out. It originates when time-dependency, mean velocities, or divergent heat fluxes are involved and it supplements the two effects known previously, namely, the ponderomotive force and fake heating. Two proofs are presented; the first is obtained by establishing the momentum equations generalized by including radiation effects and the second by solving the quasi-linear-type diffusion equation explicitly. For a time-dependent wave packet the solution exhibits a new contribution in terms of an integral over previous states. Owing to this term, the plasma has a memory which leads to a breaking of the time symmetry of the plasma response. The range, influenced by the localized wave packet, expands during the course of time due to streamers emanating from the wave active region. Perturbations, among which is the heat flux, are carried to remote positions and, consequently, the region accessible to wave heating is increased. The density dip appears to be less pronounced at the center, and its generation and decay are delayed. The analysis includes a self-consistent action of high-frequency waves as well as the case of traveling wave packets. In order to establish the existence of this new effect, the analytical results are compared with recent microwave experiments. The possibility of generating fast particles by this new ponderomotive effect is emphasized
TEMPS, 1-Group Time-Dependent Pulsed Source Neutron Transport
International Nuclear Information System (INIS)
Ganapol, B.D.
1988-01-01
1 - Description of program or function: TEMPS numerically determines the scalar flux as given by the one-group neutron transport equation with a pulsed source in an infinite medium. Standard plane, point, and line sources are considered as well as a volume source in the negative half-space in plane geometry. The angular distribution of emitted neutrons can either be isotropic or mono-directional (beam) in plane geometry and isotropic in spherical and cylindrical geometry. A general anisotropic scattering Kernel represented in terms of Legendre polynomials can be accommodated with a time- dependent number of secondaries given by c(t)=c 0 (t/t 0 ) β , where β is greater than -1 and less than infinity. TEMPS is designed to provide the flux to a high degree of accuracy (4-5 digits) for use as a benchmark to which results from other numerical solutions or approximations can be compared. 2 - Method of solution: A semi-analytic Method of solution is followed. The main feature of this approach is that no discretization of the transport or scattering operators is employed. The numerical solution involves the evaluation of an analytical representation of the solution by standard numerical techniques. The transport equation is first reformulated in terms of multiple collisions with the flux represented by an infinite series of collisional components. Each component is then represented by an orthogonal Legendre series expansion in the variable x/t where the distance x and time t are measured in terms of mean free path and mean free time, respectively. The moments in the Legendre reconstruction are found from an algebraic recursion relation obtained from Legendre expansion in the direction variable mu. The multiple collision series is evaluated first to a prescribed relative error determined by the number of digits desired in the scalar flux. If the Legendre series fails to converge in the plane or point source case, an accelerative transformation, based on removing the
International Nuclear Information System (INIS)
Chang Yongbin; Dolliver, D. D.; Ordonez, C. A.
1999-01-01
In the work reported, time-dependent effects are considered which affect the prospect of getting two oppositely signed plasmas to overlap the same region while trapped within a solenoidal magnetic field. Parameters that are relevant to future experimental attempts at producing cold antihydrogen atoms using nested-well plasma traps are considered. It is found that the timescale over which an overlap remains, without changing the electrode voltages, can be much larger than the timescale over which the overlap plasma recombines. Hence, it does not appear necessary to use time-dependent electrode voltages to maintain the overlap while antihydrogen atoms are being produced
Brodie, Nicholas I; Huguet, Romain; Zhang, Terry; Viner, Rosa; Zabrouskov, Vlad; Pan, Jingxi; Petrotchenko, Evgeniy V; Borchers, Christoph H
2018-03-06
Top-down hydrogen-deuterium exchange (HDX) analysis using electron capture or transfer dissociation Fourier transform mass spectrometry (FTMS) is a powerful method for the analysis of secondary structure of proteins in solution. The resolution of the method is a function of the degree of fragmentation of backbone bonds in the proteins. While fragmentation is usually extensive near the N- and C-termini, electron capture (ECD) or electron transfer dissociation (ETD) fragmentation methods sometimes lack good coverage of certain regions of the protein, most often in the middle of the sequence. Ultraviolet photodissociation (UVPD) is a recently developed fast-fragmentation technique, which provides extensive backbone fragmentation that can be complementary in sequence coverage to the aforementioned electron-based fragmentation techniques. Here, we explore the application of electrospray ionization (ESI)-UVPD FTMS on an Orbitrap Fusion Lumos Tribrid mass spectrometer to top-down HDX analysis of proteins. We have incorporated UVPD-specific fragment-ion types and fragment-ion mixtures into our isotopic envelope fitting software (HDX Match) for the top-down HDX analysis. We have shown that UVPD data is complementary to ETD, thus improving the overall resolution when used as a combined approach.
Imaoka, Naruaki; Houferak, Camille; Murphy, Megan P; Nguyen, Huong T H; Dang, Andy; Tureček, František
2018-01-16
Peptide cation radicals of the z-type were produced by electron transfer dissociation (ETD) of peptide dications and studied by UV-Vis photodissociation (UVPD) action spectroscopy. Cation radicals containing the Asp (D), Asn (N), Glu (E), and Gln (Q) residues were found to spontaneously isomerize by hydrogen atom migrations upon ETD. Canonical N-terminal [z 4 + H] +● fragment ion-radicals of the R-C ● H-CONH- type, initially formed by N-C α bond cleavage, were found to be minor components of the stable ion fraction. Vibronically broadened UV-Vis absorption spectra were calculated by time-dependent density functional theory for several [ ● DAAR + H] + isomers and used to assign structures to the action spectra. The potential energy surface of [ ● DAAR + H] + isomers was mapped by ab initio and density functional theory calculations that revealed multiple isomerization pathways by hydrogen atom migrations. The transition-state energies for the isomerizations were found to be lower than the dissociation thresholds, accounting for the isomerization in non-dissociating ions. The facile isomerization in [ ● XAAR + H] + ions (X = D, N, E, and Q) was attributed to low-energy intermediates having the radical defect in the side chain that can promote hydrogen migration along backbone C α positions. A similar side-chain mediated mechanism is suggested for the facile intermolecular hydrogen migration between the c- and [z + H] ● -ETD fragments containing Asp, Asn, Glu, and Gln residues. Graphical Abstract ᅟ.
Imaoka, Naruaki; Houferak, Camille; Murphy, Megan P.; Nguyen, Huong T. H.; Dang, Andy; Tureček, František
2018-01-01
Peptide cation radicals of the z-type were produced by electron transfer dissociation (ETD) of peptide dications and studied by UV-Vis photodissociation (UVPD) action spectroscopy. Cation radicals containing the Asp (D), Asn (N), Glu (E), and Gln (Q) residues were found to spontaneously isomerize by hydrogen atom migrations upon ETD. Canonical N-terminal [z4 + H]+● fragment ion-radicals of the R-C●H-CONH- type, initially formed by N-Cα bond cleavage, were found to be minor components of the stable ion fraction. Vibronically broadened UV-Vis absorption spectra were calculated by time-dependent density functional theory for several [●DAAR + H]+ isomers and used to assign structures to the action spectra. The potential energy surface of [●DAAR + H]+ isomers was mapped by ab initio and density functional theory calculations that revealed multiple isomerization pathways by hydrogen atom migrations. The transition-state energies for the isomerizations were found to be lower than the dissociation thresholds, accounting for the isomerization in non-dissociating ions. The facile isomerization in [●XAAR + H]+ ions (X = D, N, E, and Q) was attributed to low-energy intermediates having the radical defect in the side chain that can promote hydrogen migration along backbone Cα positions. A similar side-chain mediated mechanism is suggested for the facile intermolecular hydrogen migration between the c- and [z + H]●-ETD fragments containing Asp, Asn, Glu, and Gln residues. [Figure not available: see fulltext.
Modeling Space-Time Dependent Helium Bubble Evolution in Tungsten Armor under IFE Conditions
International Nuclear Information System (INIS)
Qiyang Hu; Shahram Sharafat; Nasr Ghoniem
2006-01-01
The High Average Power Laser (HAPL) program is a coordinated effort to develop Laser Inertial Fusion Energy. The implosion of the D-T target produces a spectrum of neutrons, X-rays, and charged particles, which arrive at the first wall (FW) at different times within about 2.5 μs at a frequency of 5 to 10 Hz. Helium is one of several high-energy charged particle constituents impinging on the candidate tungsten armored low activation ferritic steel First Wall. The spread of the implanted debris and burn helium energies results in a unique space-time dependent implantation profile that spans about 10 μm in tungsten. Co-implantation of X-rays and other ions results in spatially dependent damage profiles and rapid space-time dependent temperature spikes and gradients. The rate of helium transport and helium bubble formation will vary significantly throughout the implanted region. Furthermore, helium will also be transported via the migration of helium bubbles and non-equilibrium helium-vacancy clusters. The HEROS code was developed at UCLA to model the spatial and time-dependent helium bubble nucleation, growth, coalescence, and migration under transient damage rates and transient temperature gradients. The HEROS code is based on kinetic rate theory, which includes clustering of helium and vacancies, helium mobility, helium-vacancy cluster stability, cavity nucleation and growth and other microstructural features such as interstitial loop evolution, grain boundaries, and precipitates. The HEROS code is based on space-time discretization of reaction-diffusion type equations to account for migration of mobile species between neighboring bins as single atoms, clusters, or bubbles. HAPL chamber FW implantation conditions are used to model helium bubble evolution in the implanted tungsten. Helium recycling rate predictions are compared with experimental results of helium ion implantation experiments. (author)
2-D CFD time-dependent thermal-hydraulic simulations of CANDU-6 moderator flows
Energy Technology Data Exchange (ETDEWEB)
Mehdi Zadeh, Foad [Department of Engineering Physics/Polytechnique Montréal, Montréal, QC (Canada); Étienne, Stéphane [Department of Mechanical Engineering/Polytechnique Montréal, Montréal, QC (Canada); Teyssedou, Alberto, E-mail: alberto.teyssedou@polymtl.ca [Department of Engineering Physics/Polytechnique Montréal, Montréal, QC (Canada)
2016-12-01
Highlights: • 2-D time-dependent CFD simulations of CANDU-6 moderator flows are presented. • A thermal-hydraulic code using thermal physical fluid properties is used. • The numerical approach and convergence is validated against available data. • Flow configurations are correlated using Richardson’s number. • Frequency components indicate moderator flow oscillations vs. Richardson numbers. - Abstract: The distribution of the fluid temperature and mass density of the moderator flow in CANDU-6 nuclear power reactors may affect the reactivity coefficient. For this reason, any possible moderator flow configuration and consequently the corresponding temperature distributions must be studied. In particular, the variations of the reactivity may result in major safety issues. For instance, excessive temperature excursions in the vicinity of the calandria tubes nearby local flow stagnation zones, may bring about partial boiling. Moreover, steady-state simulations have shown that for operating condition, intense buoyancy forces may be dominant, which can trigger a thermal stratification. Therefore, the numerical study of the time-dependent flow transition to such a condition, is of fundamental safety concern. Within this framework, this paper presents detailed time-dependent numerical simulations of CANDU-6 moderator flow for a wide range of flow conditions. To get a better insight of the thermal-hydraulic phenomena, the simulations were performed by covering long physical-time periods using an open-source code (Code-Saturne V3) developed by Électricité de France. The results show not only a region where the flow is characterized by coherent structures of flow fluctuations but also the existence of two limit cases where fluid oscillations disappear almost completely.
Model of comet comae. II. Effects of solar photodissociative ionization
International Nuclear Information System (INIS)
Huebner, W.F.; Giguere, P.T.
1980-01-01
Improvements to our computer model of coma plotochemistry are described. These include an expansion of the chemical reactions network and new rate constants that have been measured only recently. Photolytic reactions of additional molecules are incorporated, and photolytic branching ratios are treated in far greater detail than in our previous work. A total of 25 photodissociative ionization (PDI) reactions are now considered (as compared to only 3 PDI reactions previously). Solar PDI of the mother molecule CO 2 is shown to compete effectively with photoionization of CO in the production of observed CO + . The CO + density peak predicted by our improved model, for COP 2 or CO mother molecules, is deep in the inner coma, in better agreement with observation than our old CO 2 model. However, neither CO 2 nor CO mother molecule calculations reproduce the CO + /H 2 O + ratio observed in comet Kohoutek. PDI products of CO 2 , CO, CH 4 , and NH 3 mother molecules fuel a complex chemistry scheme, producing inner coma abundances of CN, C 2 , and C 3 much greater than previously calculated
The role of water-vapour photodissociation on the formation of a deep minimum in mesopause ozone
Directory of Open Access Journals (Sweden)
I. M. Vardavas
1998-02-01
Full Text Available A one-dimensional atmospheric photochemical model with an altitude grid of about 1.5 km was used to examine the structure of the global mean vertical ozone profile and its night-time-to-daytime variation in the upper atmosphere. Two distinct ozone layers are predicted, separated by a sharp drop in the ozone concentration near the mesopause. This naturally occurring mesopause ozone deep minimum is primarily produced by the rapid increase in the destruction of water vapour, and hence increase in HOx, at altitudes between 80 and 85 km, a region where water-vapour photodissociation by ultraviolet radiation of the solar Lyman-alpha line is significant, and where the supply of water vapour is maintained by methane oxidation even for very dry conditions at the tropospheric-stratospheric exchange region. The model indicates that the depth of the mesopause ozone minimum is limited by the efficiency with which inactive molecular hydrogen is produced, either by the conversion of atomic hydrogen to molecular hydrogen via one of the reaction channels of H with HO2, or by Lyman-alpha photodissociation of water vapour via the channel that leads to the production of molecular hydrogen. The ozone concentration rapidly recovers above 85 km due to the rapid increase in O produced by the photodissociation of O2 by absorption of ultraviolet solar radiation in the Schumann-Runge bands and continuum. Above 90 km, there is a decrease in ozone due to photolysis as the production of ozone through the three-body recombination of O2 and O becomes slower with decreasing pressure. The model also predicts two peaks in the night-time/daytime ozone ratio, one near 75 km and the other near 110 km, plus a strong peak in the night-time/daytime ratio of OH near 110 km. Recent observational evidence supports the predictions of the model.Key words. Atmospheric composition and structure · Middle atmosphere · Thermosphere · Transmission and scattering of radiation
TORCAPP: time-dependent cyclotron orbit calculation and plotting package
International Nuclear Information System (INIS)
Maddox, L.B.; McNeilly, G.S.
1979-11-01
TORCAPP calculates the motion of charged particles in electromagnetic fields with time as the independent variable, and produces a variety of printed and plotted output of results. Finite-size beam behavior is studied conveniently by following groups of particles which define an appropriate phase space area. Since time is the independent variable, general motion in the near-median-plane region may be followed. This includes, for example, loops not enclosing the origin and strongly radial motions. Thus, TORCAPP is particularly useful for injection studies for isochronous cyclotrons, or other devices with near-median-plane charged particle motion
Time-dependent density functional theory for multi-component systems
International Nuclear Information System (INIS)
Tiecheng Li; Peiqing Tong
1985-10-01
The Runge-Gross version of Hohenberg-Kohn-Sham's density functional theory is generalized to multi-component systems, both for arbitrary time-dependent pure states and for arbitrary time-dependent ensembles. (author)
The time-dependent simplified P2 equations: Asymptotic analyses and numerical experiments
International Nuclear Information System (INIS)
Shin, U.; Miller, W.F. Jr.
1998-01-01
Using an asymptotic expansion, the authors found that the modified time-dependent simplified P 2 (SP 2 ) equations are robust, high-order, asymptotic approximations to the time-dependent transport equation in a physical regime in which the conventional time-dependent diffusion equation is the leading-order approximation. Using diffusion limit analysis, they also asymptotically compared three competitive time-dependent equations (the telegrapher's equation, the time-dependent SP 2 equations, and the time-dependent simplified even-parity equation). As a result, they found that the time-dependent SP 2 equations contain higher-order asymptotic approximations to the time-dependent transport equation than the other competitive equations. The numerical results confirm that, in the vast majority of cases, the time-dependent SP 2 solutions are significantly more accurate than the time-dependent diffusion and the telegrapher's solutions. They have also shown that the time-dependent SP 2 equations have excellent characteristics such as rotational invariance (which means no ray effect), good diffusion limit behavior, guaranteed positivity in diffusive regimes, and significant accuracy, even in deep-penetration problems. Through computer-running-time tests, they have shown that the time-dependent SP 2 equations can be solved with significantly less computational effort than the conventionally used, time-dependent S N equations (for N > 2) and almost as fast as the time-dependent diffusion equation. From all these results, they conclude that the time-dependent SP 2 equations should be considered as an important competitor for an improved approximately transport equations solver. Such computationally efficient time-dependent transport models are important for problems requiring enhanced computational efficiency, such as neutronics/fluid-dynamics coupled problems that arise in the analyses of hypothetical nuclear reactor accidents
Exact solution of a quantum forced time-dependent harmonic oscillator
Yeon, Kyu Hwang; George, Thomas F.; Um, Chung IN
1992-01-01
The Schrodinger equation is used to exactly evaluate the propagator, wave function, energy expectation values, uncertainty values, and coherent state for a harmonic oscillator with a time dependent frequency and an external driving time dependent force. These quantities represent the solution of the classical equation of motion for the time dependent harmonic oscillator.
Mahmoudabadi, H.; Lercier, D.; Vielliard, S.; Mein, N.; Briggs, G.
2016-12-01
The support of time-dependent transformations for surveying and GIS is becoming a critical issue. We need to convert positions from the realizations of the International Terrestrial Reference Frame to any national reference frame. This problem is easy to solve when all of the required information is available. But it becomes really complicated in a worldwide context. We propose an overview of the current ITRF-aligned reference frames and we describe a global solution to support time-dependent transformations between them and the International Terrestrial Reference Frame. We focus on the uncertainties of station velocities used. In a first approximation, we use a global tectonic plate model to calculate point velocities. We show the impact of the velocity model on the coordinate accuracies. Several countries, particularly in active regions, are developing semi-dynamic reference frames. These frames include local displacement models updated regularly and/or after major events (such as earthquakes). Their integration into surveying or GIS applications is an upcoming challenge. We want to encourage the geodetic community to develop and use standard formats.
TIME-DEPENDENT STOCHASTIC ACCELERATION MODEL FOR FERMI BUBBLES
Energy Technology Data Exchange (ETDEWEB)
Sasaki, Kento; Asano, Katsuaki; Terasawa, Toshio, E-mail: kentos@icrr.u-tokyo.ac.jp, E-mail: asanok@icrr.u-tokyo.ac.jp, E-mail: terasawa@icrr.u-tokyo.ac.jp [Institute for Cosmic Ray Research, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8582 (Japan)
2015-12-01
We study stochastic acceleration models for the Fermi bubbles. Turbulence is excited just behind the shock front via Kelvin–Helmholtz, Rayleigh–Taylor, or Richtmyer–Meshkov instabilities, and plasma particles are continuously accelerated by the interaction with the turbulence. The turbulence gradually decays as it goes away from the shock fronts. Adopting a phenomenological model for the stochastic acceleration, we explicitly solve the temporal evolution of the particle energy distribution in the turbulence. Our results show that the spatial distribution of high-energy particles is different from those for a steady solution. We also show that the contribution of electrons that escaped from the acceleration regions significantly softens the photon spectrum. The photon spectrum and surface brightness profile are reproduced by our models. If the escape efficiency is very high, the radio flux from the escaped low-energy electrons can be comparable to that of the WMAP haze. We also demonstrate hadronic models with the stochastic acceleration, but they are unlikely in the viewpoint of the energy budget.
Attainable conditions and exact invariant for the time-dependent harmonic oscillator
Energy Technology Data Exchange (ETDEWEB)
Guasti, Manuel Fernandez [Lab. de Optica Cuantica, Dep. de Fisica, Universidad A. Metropolitana, Unidad Iztapalapa, Mexico DF, Ap. Post. 55-534 (Mexico)
2006-09-22
The time-dependent oscillator equation is solved numerically for various trajectories in amplitude and phase variables. The solutions exhibit a finite time-dependent parameter whenever the squared amplitude times the derivative of the phase is invariant. If the invariant relationship does not hold, the time-dependent parameter has divergent singularities. These observations lead to the proposition that the harmonic oscillator equation with finite time-dependent parameter must have amplitude and phase solutions fulfilling the invariant relationship. Since the time-dependent parameter or the potential must be finite for any real oscillator implementation, the invariant must hold for any such physically realizable system.
Attainable conditions and exact invariant for the time-dependent harmonic oscillator
International Nuclear Information System (INIS)
Guasti, Manuel Fernandez
2006-01-01
The time-dependent oscillator equation is solved numerically for various trajectories in amplitude and phase variables. The solutions exhibit a finite time-dependent parameter whenever the squared amplitude times the derivative of the phase is invariant. If the invariant relationship does not hold, the time-dependent parameter has divergent singularities. These observations lead to the proposition that the harmonic oscillator equation with finite time-dependent parameter must have amplitude and phase solutions fulfilling the invariant relationship. Since the time-dependent parameter or the potential must be finite for any real oscillator implementation, the invariant must hold for any such physically realizable system
Constitutive modeling for uniaxial time-dependent ratcheting of SS304 stainless steel
International Nuclear Information System (INIS)
Kan Qianhua; Kang Guozheng; Zhang Juan
2007-01-01
Based on the experimental results of uniaxial time-dependent ratcheting behavior of SS304 stainless steel at room temperature and 973K, a new time-dependent constitutive model was proposed. The model describes the time-dependent ratcheting by adding a static/thermal recovery into the Abdel-Karim-Ohno non-linear kinematic hardening rule. The capability of the model to describe the time-dependent ratcheting was discussed by comparing the simulations with the corresponding experimental results. It is shown that the revised unified viscoplastic model can simulate the time-dependent ratcheting reasonably both at room and high temperatures. (authors)
Variational derivation of a time-dependent Hartree-Fock Hamiltonian
International Nuclear Information System (INIS)
Lichtner, P.C.; Griffin, J.J.; Schultheis, H.; Schultheis, R.; Volkov, A.B.
1979-01-01
The variational derivation of the time-dependent Hartree-Fock equation is reviewed. When norm-violating variations are included, a unique time-dependent Hartree-Fock Hamiltonian, which differs from that customarily used in time-dependent Hartree-Fock analyses, is implied. This variationally ''true'' Hartree-Fock Hamiltonian has the same expectation value as the exact Hamiltonian, equal to the average energy of the system. Since this quantity remains constant under time-dependent Hartree-Fock time evolution, we suggest the label ''constant '' for this form of time-dependent Hartree-Fock theory
Degenerate time-dependent network dynamics anticipate seizures in human epileptic brain.
Tauste Campo, Adrià; Principe, Alessandro; Ley, Miguel; Rocamora, Rodrigo; Deco, Gustavo
2018-04-01
Epileptic seizures are known to follow specific changes in brain dynamics. While some algorithms can nowadays robustly detect these changes, a clear understanding of the mechanism by which these alterations occur and generate seizures is still lacking. Here, we provide crossvalidated evidence that such changes are initiated by an alteration of physiological network state dynamics. Specifically, our analysis of long intracranial electroencephalography (iEEG) recordings from a group of 10 patients identifies a critical phase of a few hours in which time-dependent network states become less variable ("degenerate"), and this phase is followed by a global functional connectivity reduction before seizure onset. This critical phase is characterized by an abnormal occurrence of highly correlated network instances and is shown to be particularly associated with the activity of the resected regions in patients with validated postsurgical outcome. Our approach characterizes preseizure network dynamics as a cascade of 2 sequential events providing new insights into seizure prediction and control.
Simultaneous specimen current and time-dependent cathodoluminescence measurements on gallium nitride
Energy Technology Data Exchange (ETDEWEB)
Campo, E. M., E-mail: e.campo@bangor.ac.uk; Hopkins, L. [School of Electronic Engineering, Bangor University, Gwynedd LL57 1UT (United Kingdom); Pophristic, M. [Department of Chemistry and Biochemistry, University of the Science, Philadelphia, Pennsylvania 19104 (United States); Ferguson, I. T. [Department of Electrical and Computer Engineering, Missouri University of Science and Technology, Rolla, Missouri 65409 (United States)
2016-06-28
Time-dependent cathodoluminescence (CL) and specimen current (SC) are monitored to evaluate trapping behavior and evolution of charge storage. Examination of CL and SC suggests that the near band edge emission in GaN is reduced primarily by the activation of traps upon irradiation, and Gallium vacancies are prime candidates. At the steady state, measurement of the stored charge by empiric-analytical methods suggests that all available traps within the interaction volume have been filled, and that additional charge is being stored interstitially, necessarily beyond the interaction volume. Once established, the space charge region is responsible for the steady state CL emission and, prior to build up, it is responsible for the generation of diffusion currents. Since the non-recombination effects resulting from diffusion currents that develop early on are analogous to those leading to device failure upon aging, this study is fundamental toward a holistic insight into optical properties in GaN.
MODICO, 1-D Time-Dependent 1 Group, 2 Group Neutron Diffusion with Delayed Neutron Precursors
International Nuclear Information System (INIS)
Camiciola, P.; Cundari, D.; Montagnini, B.
1992-01-01
1 - Description of program or function: The program solves the 1-D time-dependent one and two group coarse-mesh neutron diffusion equations, coupled with the equations for the delayed-neutron precursor, in plane geometry. 2 - Method of solution: The program is based on a simple coarse-mesh cubic approximation formula for the spatial behaviour of the flux inside each interval. An implicit scheme (the time-integrated method) is used for the advancement of the solution. The resulting (block three-diagonal) matrix is inverted at each time step by Thomas' method. 3 - Restrictions on the complexity of the problem: Number of coarse- mesh intervals LE 80; number of material regions LE 10; number of delayed-neutron precursor groups LE 10. Typical mesh sizes range from 5 cm to 20 cm; typical step length (non-prompt critical transients) ranges from 0.005 to 0.1 seconds
Time-dependent liquid metal flows with free convection and free surfaces
International Nuclear Information System (INIS)
McClelland, M.A.
1990-11-01
A finite element analysis is given for time-dependent liquid metal flows with free convection and free surfaces. Consideration is given to a two-dimensional shallow trough with vertical walls maintained at different temperatures. The spatial formulation incorporates mixed Lagrangian approximations to the velocity, pressure, temperature, and interface position. The time integration method is performed using the Trapezoid Rule with step-size control. The Galerkin method is employed to reduce the problem to a set of nonlinear algebraic equations which are solved with the Newton-Raphson method. Calculations are performed for conditions relevant to the electron beam vaporization of refractory metals. The Prandtl number is 0.015, and Grashof numbers are in the transition region between laminar and turbulent flow. The results reveal the effects of flow intensity, surface-tension gradients, and mesh and time-step refinement
Identification of Hydrological Drought in Eastern China Using a Time-Dependent Drought Index
Directory of Open Access Journals (Sweden)
Lei Zou
2018-03-01
Full Text Available Long records (1960–2013 of monthly streamflow observations from 8 hydrological stations in the East Asian monsoon region are modeled using a nonstationarity framework by means of the Generalized Additive Models in Location, Scale and Shape (GAMLSS. Modeling analyses are used to characterize nonstationarity of monthly streamflow series in different geographic regions and to select optimal distribution among five two-parameter distributions (Gamma, Lognormal, Gumbel, Weibull and Logistic. Based on the optimal nonstationarity distribution, a time-dependent Standardized Streamflow Index (denoted SSIvar that takes account of the possible nonstationarity in streamflow series is constructed and then employed to identify drought characteristics at different time scales (at a 3-month scale and a 12-month scale in the eight selected catchments during 1960–2013 for comparison. Results of GAMLSS models indicate that they are able to represent the magnitude and spread in the monthly streamflow series with distribution parameters that are a linear function of time. For 8 hydrological stations in different geographic regions, a noticeable difference is observed between the historical drought assessment of Standardized Streamflow Index (SSI and SSIvar, indicating that the nonstationarity could not be ignored in the hydrological drought analyses, especially for stations with change point and significant change trends. The constructed SSIvar is, to some extent, found to be more reliable and suitable for regional drought monitoring than traditional SSI in a changing environment, thereby providing a feasible alternative for drought forecasting and water resource management at different time scales.
TIME-DEPENDENT TURBULENT HEATING OF OPEN FLUX TUBES IN THE CHROMOSPHERE, CORONA, AND SOLAR WIND
Energy Technology Data Exchange (ETDEWEB)
Woolsey, L. N.; Cranmer, S. R., E-mail: lwoolsey@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States)
2015-10-01
We investigate several key questions of plasma heating in open-field regions of the corona that connect to the solar wind. We present results for a model of Alfvén-wave-driven turbulence for three typical open magnetic field structures: a polar coronal hole, an open flux tube neighboring an equatorial streamer, and an open flux tube near a strong-field active region. We compare time-steady, one-dimensional turbulent heating models against fully time-dependent three-dimensional reduced-magnetohydrodynamic modeling of BRAID. We find that the time-steady results agree well with time-averaged results from BRAID. The time dependence allows us to investigate the variability of the magnetic fluctuations and of the heating in the corona. The high-frequency tail of the power spectrum of fluctuations forms a power law whose exponent varies with height, and we discuss the possible physical explanation for this behavior. The variability in the heating rate is bursty and nanoflare-like in nature, and we analyze the amount of energy lost via dissipative heating in transient events throughout the simulation. The average energy in these events is 10{sup 21.91} erg, within the “picoflare” range, and many events reach classical “nanoflare” energies. We also estimated the multithermal distribution of temperatures that would result from the heating-rate variability, and found good agreement with observed widths of coronal differential emission measure distributions. The results of the modeling presented in this paper provide compelling evidence that turbulent heating in the solar atmosphere by Alfvén waves accelerates the solar wind in open flux tubes.
A time-dependent semiclassical wavepacket method using a fast Fourier transform (FFT) algorithm
International Nuclear Information System (INIS)
Gauss, J.; Heller, E.J.
1991-01-01
A new semiclassical propagator based on a local expansion of the potential up to second order around the moving center of the wavepackt is proposed. Formulas for the propagator are derived and the implementation using grid and fast Fourier transform (FFT) methods is discussed. The semiclassical propagator can be improved up to the exact quantum mechanical limit by including anharmonic corrections using a split operator approach. Preliminary applications to the CH 3 I photodissociation problem show the applicability and accuracy of the proposed method. (orig.)D
International Nuclear Information System (INIS)
Lear, J.L.; Kasliwal, R.; Feyerabend, A.
1990-01-01
Calculated values of local cerebral blood flow (LCBF) using the diffusible tracer model are assumed to be independent of time as long as experiments are brief enough to prevent tissue saturation. This paper investigates the effects of CTT variation on LCBF measurements. Using double-label quantitative digital autoradiography, we compared iodoantipyrine (IAP)-based LCBF measurements obtained with tracer infusions of different lengths of time. Lightly anesthetized rats were given simultaneous ramp infusions of C-14 IAP (45 seconds) and I-123 IAP (15 seconds) and immediately sacrificed. Two autoradiograms of each brain section, one representing I-123 and the other representing C-14, were produced, digitized, and converted into images of LCBF based on the 15- and 45-second infusion periods. The LCBF image pairs were compared on a pixel-by-pixel basis
Information entropy of a time-dependent three-level trapped ion interacting with a laser field
International Nuclear Information System (INIS)
Abdel-Aty, Mahmoud
2005-01-01
Trapped and laser-cooled ions are increasingly used for a variety of modern high-precision experiments, frequency standard applications and quantum information processing. Therefore, in this communication we present a comprehensive analysis of the pattern of information entropy arising in the time evolution of an ion interacting with a laser field. A general analytic approach is proposed for a three-level trapped-ion system in the presence of the time-dependent couplings. By working out an exact analytic solution, we conclusively analyse the general properties of the von Neumann entropy and quantum information entropy. It is shown that the information entropy is affected strongly by the time-dependent coupling and exhibits long time periodic oscillations. This feature attributed to the fact that in the time-dependent region Rabi oscillation is time dependent. Using parameters corresponding to a specific three-level ionic system, a single beryllium ion in a RF-(Paul) trap, we obtain illustrative examples of some novel aspects of this system in the dynamical evolution. Our results establish an explicit relation between the exact information entropy and the entanglement between the multi-level ion and the laser field. We show that different nonclassical effects arise in the dynamics of the ionic population inversion, depending on the initial states of the vibrational motion/field and on the values of Lamb-Dicke parameter η
Assessing the Time Dependence of Reconnection With Poynting's Theorem: MMS Observations
Genestreti, K. J.; Cassak, P. A.; Varsani, A.; Burch, J. L.; Nakamura, R.; Wang, S.
2018-04-01
We investigate the time dependence of electromagnetic-field-to-plasma energy conversion in the electron diffusion region of asymmetric magnetic reconnection. To do so, we consider the terms in Poynting's theorem. In a steady state there is a perfect balance between the divergence of the electromagnetic energy flux ∇·S→ and the conversion between electromagnetic field and particle energy J→·E→. This energy balance is demonstrated with a particle-in-cell simulation of reconnection. We also evaluate each of the terms in Poynting's theorem during an observation of a magnetopause reconnection region by Magnetospheric Multiscale (MMS). We take the equivalence of both sides of Poynting's theorem as an indication that the errors associated with the approximation of each term with MMS data are small. We find that, for this event, balance between J→·E→=-∇·S→ is only achieved for a small fraction of the energy conversion region at/near the X-point. Magnetic energy was rapidly accumulating on either side of the current sheet at roughly 3 times the predicted energy conversion rate. Furthermore, we find that while J→·E→>0 and ∇·S→J→·E→. We note that due to the assumptions necessary to do this calculation, the accurate evaluation of ∇·S→ may not be possible for every MMS-observed reconnection event; but, if possible, this is a simple approach to determine if reconnection is or is not in a steady state.
Time-Dependent Wetting Behavior of PDMS Surfaces with Bio-Inspired, Hierarchical Structures
Mishra, Himanshu; Schrader, Alex M.; Lee, Dong Woog; Gallo, Adair; Chen, Szu-Ying; Kaufman, Yair; Das, Saurabh; Israelachvili, Jacob N.
2015-01-01
Wetting of rough surfaces involves time-dependent effects, such as surface deformations, non-uniform filling of surface pores within or outside the contact area, and surface chemistries, but the detailed impact of these phenomena on wetting is not entirely clear. Understanding these effects is crucial for designing coatings for a wide range of applications, such as membrane-based oil-water separation and desalination, waterproof linings/windows for automobiles, aircrafts, and naval vessels, and antibiofouling. Herein, we report on time-dependent contact angles of water droplets on a rough polydimethylsiloxane (PDMS) surface that cannot be completely described by the conventional Cassie-Baxter or Wenzel models or the recently proposed Cassie-impregnated model. Shells of sand dollars (Dendraster excentricus) were used as lithography-free, robust templates to produce rough PDMS surfaces with hierarchical, periodic features ranging from 10-7-10-4 m. Under saturated vapor conditions, we found that in the short-term (<1 min), the contact angle of a sessile water droplet on the templated PDMS, θSDT = 140° ± 3°, was accurately described by the Cassie-Baxter model (predicted θSDT = 137°); however, after 90 min, θSDT fell to 110°. Fluorescent confocal microscopy confirmed that the initial reduction in θSDT to 110° (the Wenzel limit) was primarily a Cassie-Baxter to Wenzel transition during which pores within the contact area filled gradually, and more rapidly for ethanol-water mixtures. After 90 min, the contact line of the water droplet became pinned, perhaps caused by viscoelastic deformation of the PDMS around the contact line, and a significant volume of water began to flow from the droplet to pores outside the contact region, causing θSDT to decrease to 65° over 48 h on the rough surface. The system we present here to explore the concept of contact angle time dependence (dynamics) and modeling of natural surfaces provides insights into the design and
Time-Dependent Wetting Behavior of PDMS Surfaces with Bio-Inspired, Hierarchical Structures
Mishra, Himanshu
2015-12-28
Wetting of rough surfaces involves time-dependent effects, such as surface deformations, non-uniform filling of surface pores within or outside the contact area, and surface chemistries, but the detailed impact of these phenomena on wetting is not entirely clear. Understanding these effects is crucial for designing coatings for a wide range of applications, such as membrane-based oil-water separation and desalination, waterproof linings/windows for automobiles, aircrafts, and naval vessels, and antibiofouling. Herein, we report on time-dependent contact angles of water droplets on a rough polydimethylsiloxane (PDMS) surface that cannot be completely described by the conventional Cassie-Baxter or Wenzel models or the recently proposed Cassie-impregnated model. Shells of sand dollars (Dendraster excentricus) were used as lithography-free, robust templates to produce rough PDMS surfaces with hierarchical, periodic features ranging from 10-7-10-4 m. Under saturated vapor conditions, we found that in the short-term (<1 min), the contact angle of a sessile water droplet on the templated PDMS, θSDT = 140° ± 3°, was accurately described by the Cassie-Baxter model (predicted θSDT = 137°); however, after 90 min, θSDT fell to 110°. Fluorescent confocal microscopy confirmed that the initial reduction in θSDT to 110° (the Wenzel limit) was primarily a Cassie-Baxter to Wenzel transition during which pores within the contact area filled gradually, and more rapidly for ethanol-water mixtures. After 90 min, the contact line of the water droplet became pinned, perhaps caused by viscoelastic deformation of the PDMS around the contact line, and a significant volume of water began to flow from the droplet to pores outside the contact region, causing θSDT to decrease to 65° over 48 h on the rough surface. The system we present here to explore the concept of contact angle time dependence (dynamics) and modeling of natural surfaces provides insights into the design and
Neural network approach to time-dependent dividing surfaces in classical reaction dynamics
Schraft, Philippe; Junginger, Andrej; Feldmaier, Matthias; Bardakcioglu, Robin; Main, Jörg; Wunner, Günter; Hernandez, Rigoberto
2018-04-01
In a dynamical system, the transition between reactants and products is typically mediated by an energy barrier whose properties determine the corresponding pathways and rates. The latter is the flux through a dividing surface (DS) between the two corresponding regions, and it is exact only if it is free of recrossings. For time-independent barriers, the DS can be attached to the top of the corresponding saddle point of the potential energy surface, and in time-dependent systems, the DS is a moving object. The precise determination of these direct reaction rates, e.g., using transition state theory, requires the actual construction of a DS for a given saddle geometry, which is in general a demanding methodical and computational task, especially in high-dimensional systems. In this paper, we demonstrate how such time-dependent, global, and recrossing-free DSs can be constructed using neural networks. In our approach, the neural network uses the bath coordinates and time as input, and it is trained in a way that its output provides the position of the DS along the reaction coordinate. An advantage of this procedure is that, once the neural network is trained, the complete information about the dynamical phase space separation is stored in the network's parameters, and a precise distinction between reactants and products can be made for all possible system configurations, all times, and with little computational effort. We demonstrate this general method for two- and three-dimensional systems and explain its straightforward extension to even more degrees of freedom.
Exact time-dependent exchange-correlation potentials for strong-field electron dynamics
International Nuclear Information System (INIS)
Lein, Manfred; Kuemmel, Stephan
2005-01-01
By solving the time-dependent Schroedinger equation and inverting the time-dependent Kohn-Sham scheme we obtain the exact time-dependent exchange-correlation potential of density-functional theory for the strong-field dynamics of a correlated system. We demonstrate that essential features of the exact exchange-correlation potential can be related to derivative discontinuities in stationary density-functional theory. Incorporating the discontinuity in a time-dependent density-functional calculation greatly improves the description of the ionization process
Numerical modelling of softwood time-dependent behaviour based on microstructure
DEFF Research Database (Denmark)
Engelund, Emil Tang
2010-01-01
The time-dependent mechanical behaviour of softwood such as creep or relaxation can be predicted, from knowledge of the microstructural arrangement of the cell wall, by applying deformation kinetics. This has been done several times before; however, often without considering the constraints defined...... by the basic physical mechanism behind the time-dependent behaviour. The mechanism causing time-dependency is thought to be sliding of the microfibrils past each other as a result breaking and re-bonding of hydrogen bonds. This can be incorporated in a numerical model by only allowing time-dependency in shear...
Modelling time-dependent mechanical behaviour of softwood using deformation kinetics
DEFF Research Database (Denmark)
Engelund, Emil Tang; Svensson, Staffan
2010-01-01
The time-dependent mechanical behaviour (TDMB) of softwood is relevant, e.g., when wood is used as building material where the mechanical properties must be predicted for decades ahead. The established mathematical models should be able to predict the time-dependent behaviour. However, these models...... are not always based on the actual physical processes causing time-dependent behaviour and the physical interpretation of their input parameters is difficult. The present study describes the TDMB of a softwood tissue and its individual tracheids. A model is constructed with a local coordinate system that follows...... macroscopic viscoelasticity, i.e., the time-dependent processes are to a significant degree reversible....
Photodissociation of H2+ by a ruby laser with ion energy analysis of ejected H+
International Nuclear Information System (INIS)
Ozenne, J.B.; Pham, D.; Tadjeddine, M.; Durup, J.
1974-01-01
The kinetic energy released in the photodissociation of H 2 + by a ruby laser beam has been measured. The spectrum of the dissociation kinetic energy of H + +H shows several vibrational levels, and after deconvolution due to the energetic and angular resolution of the apparatus, gives a population of those vibrational levels, close to theoretical population [fr
Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy
Czech Academy of Sciences Publication Activity Database
Andris, E.; Navrátil, R.; Jašík, J.; Sabenya, G.; Costas, M.; Srnec, Martin; Roithová, J.
2018-01-01
Roč. 24, č. 20 (2018), s. 5078-5081 ISSN 1521-3765 R&D Projects: GA ČR(CZ) GJ15-10279Y Institutional support: RVO:61388955 Keywords : photodissociation spectrochemistry * infrared spectra * DFT Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry
DEFF Research Database (Denmark)
Schmidt, Johan Albrecht; Olsen, Jógvan Magnus Haugaard
2014-01-01
The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys.136, 131101 (2012);J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke...
Hansen, Christopher S.; Kirk, Benjamin B.; Blanksby, Stephen J.; O'Hair, Richard. A. J.; Trevitt, Adam J.
2013-06-01
UV-vis photodissociation action spectroscopy is becoming increasingly prevalent because of advances in, and commercial availability of, ion trapping technologies and tunable laser sources. This study outlines in detail an instrumental arrangement, combining a commercial ion-trap mass spectrometer and tunable nanosecond pulsed laser source, for performing fully automated photodissociation action spectroscopy on gas-phase ions. The components of the instrumentation are outlined, including the optical and electronic interfacing, in addition to the control software for automating the experiment and performing online analysis of the spectra. To demonstrate the utility of this ensemble, the photodissociation action spectra of 4-chloroanilinium, 4-bromoanilinium, and 4-iodoanilinium cations are presented and discussed. Multiple photoproducts are detected in each case and the photoproduct yields are followed as a function of laser wavelength. It is shown that the wavelength-dependent partitioning of the halide loss, H loss, and NH3 loss channels can be broadly rationalized in terms of the relative carbon-halide bond dissociation energies and processes of energy redistribution. The photodissociation action spectrum of (phenyl)Ag2 + is compared with a literature spectrum as a further benchmark.
Finite moments approach to the time-dependent neutron transport equation
International Nuclear Information System (INIS)
Kim, Sang Hyun
1994-02-01
Currently, nodal techniques are widely used in solving the multidimensional diffusion equation because of savings in computing time and storage. Thanks to the development of computer technology, one can now solve the transport equation instead of the diffusion equation to obtain more accurate solution. The finite moments method, one of the nodal methods, attempts to represent the fluxes in the cell and on cell surfaces more rigorously by retaining additional spatial moments. Generally, there are two finite moments schemes to solve the time-dependent transport equation. In one, the time variable is treated implicitly with finite moments method in space variable (implicit finite moments method), the other method uses finite moments method in both space and time (space-time finite moments method). In this study, these two schemes are applied to two types of time-dependent neutron transport problems. One is a fixed source problem, the other a heterogeneous fast reactor problem with delayed neutrons. From the results, it is observed that the two finite moments methods give almost the same solutions in both benchmark problems. However, the space-time finite moments method requires a little longer computing time than that of the implicit finite moments method. In order to reduce the longer computing time in the space-time finite moments method, a new iteration strategy is exploited, where a few time-stepwise calculation, in which original time steps are grouped into several coarse time divisions, is performed sequentially instead of performing iterations over the entire time steps. This strategy results in significant reduction of the computing time and we observe that 2-or 3-stepwise calculation is preferable. In addition, we propose a new finite moments method which is called mixed finite moments method in this thesis. Asymptotic analysis for the finite moments method shows that accuracy of the solution in a heterogeneous problem mainly depends on the accuracy of the
Effects of a moving X-line in a time-dependent reconnection model
Directory of Open Access Journals (Sweden)
S. A. Kiehas
2007-02-01
Full Text Available In the frame of magnetized plasmas, reconnection appears as an essential process for the description of plasma acceleration and changing magnetic field topology. Under the variety of reconnection regions in our solar system, we focus our research onto the Earth's magnetotail. Under certain conditions a Near Earth Neutral Line (NENL is free to evolve in the current sheet of the magnetotail. Reconnection in this region leads to the formation of Earth- and tailward propagating plasma bulges, which can be detected by the Cluster or Geotail spacecraft. Observations give rise to the assumption that the evolved reconnection line does not provide a steady state behavior, but is propagating towards the tail (e.g., Baker et al., 2002. Based on a time-dependent variant of the Petschek model of magnetic reconnection, we present a method that includes an X-line motion and discuss the effects of such a motion. We focus our main interest on the shock structure and the magnetic field behavior, both for the switch-on and the switch-off phase.
Picconi, David; Grebenshchikov, Sergy Yu.
2018-03-01
This paper opens a series in which the photochemistry of the two lowest πσ* states of pyrrole and their interaction with each other and with the ground electronic state X ˜ are studied using ab initio quantum mechanics. New 24-dimensional potential energy surfaces for the photodissociation of the N-H bond and the formation of the pyrrolyl radical are calculated using the multiconfigurational perturbation theory (CASPT2) for the electronic states X ˜ (π π ) , 11A2(πσ*), and 11B1(πσ*) and locally diabatized. In this paper, the ab initio calculations are described and the photodissociation in the state 11A2(πσ*) is analyzed. The excitation 11 A2←X ˜ is mediated by the coordinate dependent transition dipole moment functions constructed using the Herzberg-Teller expansion. Nuclear dynamics, including 6, 11, and 15 active degrees of freedom, are studied using the multi-configurational time-dependent Hartree method. The focus is on the frequency resolved absorption spectrum as well as on the dissociation time scales and the resonance lifetimes. Calculations are compared with available experimental data. An approximate convolution method is developed and validated, with which absorption spectra can be calculated and assigned in terms of vibrational quantum numbers. The method represents the total absorption spectrum as a convolution of the diffuse spectrum of the detaching H-atom and the Franck-Condon spectrum of the heteroaromatic ring. Convolution calculation requires a minimal quantum chemical input and is a promising tool for studying the πσ* photodissociation in model biochromophores.
Time-Dependent Neutral Particle Transport Benchmarks in Two and Three Dimensions
International Nuclear Information System (INIS)
Barry D. Ganapol
2007-01-01
The main objective of NEER grant was to generate highly accurate 2D and 3D time-dependent neutral particle intensity maps from 3D pulsed wire sources through integration of the analytical representation of a time-dependent point source
Directory of Open Access Journals (Sweden)
Marcos Moshinsky
2008-07-01
Full Text Available For classical canonical transformations, one can, using the Wigner transformation, pass from their representation in Hilbert space to a kernel in phase space. In this paper it will be discussed how the time-dependence of the uncertainties of the corresponding time-dependent quantum problems can be incorporated into this formalism.
On time-dependent Hamiltonian realizations of planar and nonplanar systems
Esen, Oğul; Guha, Partha
2018-04-01
In this paper, we elucidate the key role played by the cosymplectic geometry in the theory of time dependent Hamiltonian systems in 2 D. We generalize the cosymplectic structures to time-dependent Nambu-Poisson Hamiltonian systems and corresponding Jacobi's last multiplier for 3 D systems. We illustrate our constructions with various examples.
A 3D coarse-mesh time dependent code for nuclear reactor kinetic calculations
International Nuclear Information System (INIS)
Montagnini, B.; Raffaelli, P.; Sumini, M.; Zardini, D.M.
1996-01-01
A course-mesh code for time-dependent multigroup neutron diffusion calculation based on a direct integration scheme for the time dependence and a low order nodal flux expansion approximation for the space variables has been implemented as a fast tool for transient analysis. (Author)
Exact norm-conserving stochastic time-dependent Hartree-Fock
International Nuclear Information System (INIS)
Tessieri, Luca; Wilkie, Joshua; Cetinbas, Murat
2005-01-01
We derive an exact single-body decomposition of the time-dependent Schroedinger equation for N pairwise interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method, we calculate the low energy spectrum of helium. An extension of the method to bosons is outlined
Exact solutions of time-dependent Dirac equations and the quantum-classical correspondence
International Nuclear Information System (INIS)
Zhang Zhiguo
2006-01-01
Exact solutions to the Dirac equations with a time-dependent mass and a static magnetic field or a time-dependent linear potential are given. Matrix elements of the coordinate, momentum and velocity operator are calculated. In the large quantum number limit, these matrix elements give the classical solution
Dynamics of Bose-Einstein condensates in a time-dependent trap
International Nuclear Information System (INIS)
Kumar, V. Ramesh; Radha, R.; Panigrahi, Prasanta K.
2008-01-01
In this paper, we generate the Lax pair for the one-dimensional Gross-Pitaevskii equation with time-dependent scattering length in the presence of a confining or expulsive harmonic time-dependent trap. We then exploit the Lax pair profitably to construct multisoliton solutions using gauge transformation from a trivial input solution. In particular, we have investigated the effect of both expulsive and confining traps on soliton interaction. Even though we find that the amplitude of the bright soliton relies upon the time-dependent scattering length and the external time-dependent trap with the velocity being dictated by the external trap alone, the observation of interdependence of the scattering length on the trap shows that the bright solitons not only can be compressed into a desirable width and amplitude but also can be remote controlled and driven anywhere in the plane by suitably maneuvering the external time-dependent trap alone
Time-dependent Hartree-Fock dynamics and phase transition in Lipkin-Meshkov-Glick model
International Nuclear Information System (INIS)
Kan, K.; Lichtner, P.C.; Dworzecka, M.; Griffin, J.J.
1980-01-01
The time-dependent Hartree-Fock solutions of the two-level Lipkin-Meshkov-Glick model are studied by transforming the time-dependent Hartree-Fock equations into Hamilton's canonical form and analyzing the qualitative structure of the Hartree-Fock energy surface in the phase space. It is shown that as the interaction strength increases these time-dependent Hartree-Fock solutions undergo a qualitative change associated with the ground state phase transition previously studied in terms of coherent states. For two-body interactions stronger than the critical value, two types of time-dependent Hartree-Fock solutions (the ''librations'' and ''rotations'' in Hamilton's mechanics) exist simultaneously, while for weaker interactions only the rotations persist. It is also shown that the coherent states with the maximum total pseudospin value are determinants, so that time-dependent Hartree-Fock analysis is equivalent to the coherent state method
The Harmonic Potential Theorem for a Quantum System with Time-Dependent Effective Mass
International Nuclear Information System (INIS)
Lai Meng-Yun; Xiao Duan-Liang; Pan Xiao-Yin
2015-01-01
We investigate the many-body wave function of a quantum system with time-dependent effective mass, confined by a harmonic potential with time-dependent frequency, and perturbed by a time-dependent spatially homogeneous electric field. It is found that the wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the harmonic potential theorem wave function when both the effective mass and frequency are static. An example of application is also given. (paper)
Spin-State-Controlled Photodissociation of Iron(III) Azide to an Iron(V) Nitride Complex
Czech Academy of Sciences Publication Activity Database
Andris, E.; Navrátil, R.; Jašík, J.; Sabenya, G.; Costas, M.; Srnec, Martin; Roithová, J.
2017-01-01
Roč. 56, č. 45 (2017), s. 14057-14060 ISSN 1521-3773 Institutional support: RVO:61388955 Keywords : Ion spectroscopy * Iron(V) nitride * Photodissociation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry
International Nuclear Information System (INIS)
Nahon, Laurent
1991-01-01
This research thesis reports the combined use of a laser and of a synchrotron radiation in order to respectively photo-dissociate a molecule and to photo-ionize fragments which are analysed by photo-electron spectroscopy. This association allows, on the one hand, radical photo-ionization to be studied, and, on the other hand, polyatomic molecule photo-dissociation to be studied. The author studied the photo-excitation and/or photo-ionization in layer 4d (resp. 3d) of atomic iodine (resp. bromine) produced almost complete laser photo-dissociation of I_2 (resp. Br_2). He discuses the processes of relaxation of transitions from valence 4d to 5p (resp. 3d to 4p) which occur either by direct self-ionization or by resonant Auger effect, and reports the study of photo-dissociation of s-tetrazine (C_2N_4H_2) [fr
Time-Dependent Damage Investigation of Rock Mass in an In Situ Experimental Tunnel
Jiang, Quan; Cui, Jie; Chen, Jing
2012-01-01
In underground tunnels or caverns, time-dependent deformation or failure of rock mass, such as extending cracks, gradual rock falls, etc., are a costly irritant and a major safety concern if the time-dependent damage of surrounding rock is serious. To understand the damage evolution of rock mass in underground engineering, an in situ experimental testing was carried out in a large belowground tunnel with a scale of 28.5 m in width, 21 m in height and 352 m in length. The time-dependent damage of rock mass was detected in succession by an ultrasonic wave test after excavation. The testing results showed that the time-dependent damage of rock mass could last a long time, i.e., nearly 30 days. Regression analysis of damage factors defined by wave velocity, resulted in the time-dependent evolutional damage equation of rock mass, which corresponded with logarithmic format. A damage viscoelastic-plastic model was developed to describe the exposed time-dependent deterioration of rock mass by field test, such as convergence of time-dependent damage, deterioration of elastic modules and logarithmic format of damage factor. Furthermore, the remedial measures for damaged surrounding rock were discussed based on the measured results and the conception of damage compensation, which provides new clues for underground engineering design.
Constant resolution of time-dependent Hartree--Fock phase ambiguity
International Nuclear Information System (INIS)
Lichtner, P.C.; Griffin, J.J.; Schultheis, H.; Schultheis, R.; Volkov, A.B.
1978-01-01
The customary time-dependent Hartree--Fock problem is shown to be ambiguous up to an arbitrary function of time additive to H/sub HF/, and, consequently, up to an arbitrary time-dependent phase for the solution, PHI(t). The ''constant'' (H)'' phase is proposed as the best resolution of this ambiguity. It leads to the following attractive features: (a) the time-dependent Hartree--Fock (TDHF) Hamiltonian, H/sub HF/, becomes a quantity whose expectation value is equal to the average energy and, hence, constant in time; (b) eigenstates described exactly by determinants, have time-dependent Hartree--Fock solutions identical with the exact time-dependent solutions; (c) among all possible TDHF solutions this choice minimizes the norm of the quantity (H--i dirac constant delta/delta t) operating on the ket PHI, and guarantees optimal time evolution over an infinitesimal period; (d) this choice corresponds both to the stationary value of the absolute difference between (H) and (i dirac constant delta/delta t) and simultaneously to its absolute minimal value with respect to choice of the time-dependent phase. The source of the ambiguity is discussed. It lies in the time-dependent generalization of the freedom to transform unitarily among the single-particle states of a determinant at the (physically irrelevant for stationary states) cost of altering only a factor of unit magnitude
Karim, Mohammad Ehsanul; Petkau, John; Gustafson, Paul; Platt, Robert W; Tremlett, Helen
2018-06-01
In longitudinal studies, if the time-dependent covariates are affected by the past treatment, time-dependent confounding may be present. For a time-to-event response, marginal structural Cox models are frequently used to deal with such confounding. To avoid some of the problems of fitting marginal structural Cox model, the sequential Cox approach has been suggested as an alternative. Although the estimation mechanisms are different, both approaches claim to estimate the causal effect of treatment by appropriately adjusting for time-dependent confounding. We carry out simulation studies to assess the suitability of the sequential Cox approach for analyzing time-to-event data in the presence of a time-dependent covariate that may or may not be a time-dependent confounder. Results from these simulations revealed that the sequential Cox approach is not as effective as marginal structural Cox model in addressing the time-dependent confounding. The sequential Cox approach was also found to be inadequate in the presence of a time-dependent covariate. We propose a modified version of the sequential Cox approach that correctly estimates the treatment effect in both of the above scenarios. All approaches are applied to investigate the impact of beta-interferon treatment in delaying disability progression in the British Columbia Multiple Sclerosis cohort (1995-2008).
Parametrization of complex absorbing potentials for time-dependent quantum dynamics
International Nuclear Information System (INIS)
Vibok, A.; Balint-Kurti, G.G.
1992-01-01
Five different forms of complex absorbing potentials are examined and compared. Such potentials are needed to absorb wavepackets near the edges of grids in time-dependent quantum dynamical calculations. The extent to which the different potentials transmit or reflect an incident wavepacket is quantified, and optimal potential parameters to minimize both the reflection and transmission for each type of potential are derived. A rigorously derived scaling procedure, which permits the derivation of optimal potential parameters for use with any chosen mass or kinetic energy from those optimized for different conditions, is described. Tables are also presented which permit the immediate selection of the parameters for an absorbing potential of a particular form so as to allow a preselected (very small) degree of transmitted plus reflected probability to be attained. It is always desirable to devote a minimal region to the absorbing potential, while at the same time effectively absorbing all of the wavepacket and neither transmitting nor reflecting any of it. The tables presented here enable the use to easily select the potential parameters he will require to attain these goals. 23 refs., 7 figs., 4 tabs
Directory of Open Access Journals (Sweden)
Nicolangelo L Iannella
2010-07-01
Full Text Available Synapse location, dendritic active properties and synaptic plasticity are all known to play some role in shaping the different input streams impinging onto a neuron. It remains unclear however, how the magnitude and spatial distribution of synaptic efficacies emerge from this interplay. Here, we investigate this interplay using a biophysically detailed neuron model of a reconstructed layer 2/3 pyramidal cell and spike timing-dependent plasticity (STDP. Specifically, we focus on the issue of how the efficacy of synapses contributed by different input streams are spatially represented in dendrites after STDP learning. We construct a simple feed forward network where a detailed model neuron receives synaptic inputs independently from multiple yet equally sized groups of afferent fibres with correlated activity, mimicking the spike activity from different neuronal populations encoding, for example, different sensory modalities. Interestingly, ensuing STDP learning, we observe that for all afferent groups, STDP leads to synaptic efficacies arranged into spatially segregated clusters effectively partitioning the dendritic tree. These segregated clusters possess a characteristic global organisation in space, where they form a tessellation in which each group dominates mutually exclusive regions of the dendrite.Put simply, the dendritic imprint from different input streams left after STDP learning effectively forms what we term a dendritic efficacy mosaic. Furthermore, we show how variations of the inputs and STDP rule affect such an organization. Our model suggests that STDP may be an important mechanism for creating a clustered plasticity engram, which shapes how different input streams are spatially represented in dendrite.
Tracking the Time-Dependent Role of the Hippocampus in Memory Recall Using DREADDs.
Varela, Carmen; Weiss, Sarah; Meyer, Retsina; Halassa, Michael; Biedenkapp, Joseph; Wilson, Matthew A; Goosens, Ki Ann; Bendor, Daniel
2016-01-01
The hippocampus is critical for the storage of new autobiographical experiences as memories. Following an initial encoding stage in the hippocampus, memories undergo a process of systems-level consolidation, which leads to greater stability through time and an increased reliance on neocortical areas for retrieval. The extent to which the retrieval of these consolidated memories still requires the hippocampus is unclear, as both spared and severely degraded remote memory recall have been reported following post-training hippocampal lesions. One difficulty in definitively addressing the role of the hippocampus in remote memory retrieval is the precision with which the entire volume of the hippocampal region can be inactivated. To address this issue, we used Designer Receptors Exclusively Activated by Designer Drugs (DREADDs), a chemical-genetic tool capable of highly specific neuronal manipulation over large volumes of brain tissue. We find that remote (>7 weeks after acquisition), but not recent (1-2 days after acquisition) contextual fear memories can be recalled after injection of the DREADD agonist (CNO) in animals expressing the inhibitory DREADD in the entire hippocampus. Our data demonstrate a time-dependent role of the hippocampus in memory retrieval, supporting the standard model of systems consolidation.
Energy Technology Data Exchange (ETDEWEB)
Grasselli, Federico, E-mail: federico.grasselli@unimore.it; Goldoni, Guido, E-mail: guido.goldoni@unimore.it [Department of Physics, Informatics and Mathematics, University of Modena and Reggio Emilia, Modena (Italy); CNR-NANO S3, Institute for Nanoscience, Via Campi 213/a, 41125 Modena (Italy); Bertoni, Andrea, E-mail: andrea.bertoni@nano.cnr.it [CNR-NANO S3, Institute for Nanoscience, Via Campi 213/a, 41125 Modena (Italy)
2015-01-21
We study the unitary propagation of a two-particle one-dimensional Schrödinger equation by means of the Split-Step Fourier method, to study the coherent evolution of a spatially indirect exciton (IX) in semiconductor heterostructures. The mutual Coulomb interaction of the electron-hole pair and the electrostatic potentials generated by external gates and acting on the two particles separately are taken into account exactly in the two-particle dynamics. As relevant examples, step/downhill and barrier/well potential profiles are considered. The space- and time-dependent evolutions during the scattering event as well as the asymptotic time behavior are analyzed. For typical parameters of GaAs-based devices, the transmission or reflection of the pair turns out to be a complex two-particle process, due to comparable and competing Coulomb, electrostatic, and kinetic energy scales. Depending on the intensity and anisotropy of the scattering potentials, the quantum evolution may result in excitation of the IX internal degrees of freedom, dissociation of the pair, or transmission in small periodic IX wavepackets due to dwelling of one particle in the barrier region. We discuss the occurrence of each process in the full parameter space of the scattering potentials and the relevance of our results for current excitronic technologies.
Neoclassical and gyrokinetic analysis of time-dependent helium transport experiments on MAST
International Nuclear Information System (INIS)
Henderson, S.S.; O'Mullane, M.; Summers, H.P.; Garzotti, L.; Casson, F.J.; Dickinson, D.; Fox, M.F.J.; Patel, A.; Roach, C.M.; Valovič, M.
2014-01-01
Time-dependent helium gas puff experiments have been performed on the Mega Ampère Spherical Tokamak (MAST) during a two point plasma current scan in L-mode and a confinement scan at 900 kA. An evaluation of the He II (n = 4 → 3) spectrum line induced by charge exchange suggests anomalous rates of diffusion and inward convection in the outer regions of both L-mode plasmas. Similar rates of diffusion are found in the H-mode plasma, however these rates are consistent with neoclassical predictions. The anomalous inward pinch found in the core of L-mode plasmas is also not apparent in the H-mode core. Linear gyrokinetic simulations of one flux surface in L-mode using the GS2 and GKW codes find that equilibrium flow shear is sufficient to stabilize ITG modes, consistent with beam emission spectroscopy (BES) observations, and suggest that collisionless TEMs may dominate the anomalous helium particle transport. A quasilinear estimate of the dimensionless peaking factor associated with TEMs is in good agreement with experiment. Collisionless TEMs are more stable in H-mode because the electron density gradient is flatter. The steepness of this gradient is therefore pivotal in determining the inward neoclassical particle pinch and the particle flux associated with TEM turbulence. (paper)
A model for the time-dependent thermal distribution within an iceball surrounding a cryoprobe
International Nuclear Information System (INIS)
Rewcastle, J.C.; Sandison, G.A.; Hahn, L.J.; Saliken, J.C.; McKinnon, J.G.; Donnelly, B.J.
1998-01-01
The optimal cooling parameters to maximize cell necrosis in different types of tissue have yet to be determined. However, a critical isotherm is commonly adopted by cryosurgeons as a boundary of lethality for tissue. Locating this isotherm within an iceball is problematic due to the limitations of MRI, ultrasound and CT imaging modalities. This paper describes a time-dependent two-dimensional axisymmetric model of iceball formation about a single cryoprobe and extensively compares it with experimental data. Thermal histories for several points around a CRYOprobe are predicted to high accuracy (5 deg. C maximum discrepancy). A realistic three-dimensional probe geometry is specified and cryoprobe temperature may be arbitrarily set as a function of time in the model. Three-dimensional temperature distributions within the iceball, predicted by the model at different times, are presented. Isotherm locations, as calculated with the infinite cylinder approximation, are compared with those of the model in the most appropriate region of the iceball. Infinite cylinder approximations are shown to be inaccurate when applied to this commercial probe. Adopting the infinite cylinder approximation to locate the critical isotherm is shown to lead the user to an overestimate of the volume of target tissue enclosed by this isotherm which may lead to incomplete tumour ablation. (author)
Time-dependent 3D simulations of the hemodynamics in a stented coronary artery
International Nuclear Information System (INIS)
Faik, Isam; Mongrain, Rosaire; Leask, Richard L; Rodes-Cabau, Josep; Larose, Eric; Bertrand, Olivier
2007-01-01
Stenting is becoming the major interventional cardiology procedure worldwide. However restenosis remains a major limitation to the effectiveness of stents. Alterations to the local hemodynamics in the stented segment of the artery could be a potential factor in the development of in-stent restenosis. The characterization of wall shear stress and of blood flow patterns in a stented artery is therefore necessary for a good understanding of the role of hemodynamics in the development of in-stent restenosis. We have used a time-dependent 3D numerical model of a stented coronary artery to study the characteristics of the blood flow and the shear stress distribution. Our results show that the presence of the stent produces significant secondary flow that is limited to an annulus in the near wall region. Low shear stress zones were localized in the vicinity of the struts while the tips of the struts exhibited high values of shear stress. These results support the hypothesis that local hemodynamics may affect the development of in-stent restenosis and could influence the choice of stent geometries for future stent designs
The time-dependent relativistic mean-field theory and the random phase approximation
International Nuclear Information System (INIS)
Ring, P.; Ma, Zhong-yu; Van Giai, Nguyen; Vretenar, D.; Wandelt, A.; Cao, Li-gang
2001-01-01
The Relativistic Random Phase Approximation (RRPA) is derived from the Time-Dependent Relativistic Mean-Field (TD RMF) theory in the limit of small amplitude oscillations. In the no-sea approximation of the RMF theory, the RRPA configuration space includes not only the usual particle-hole ph-states, but also αh-configurations, i.e. pairs formed from occupied states in the Fermi sea and empty negative-energy states in the Dirac sea. The contribution of the negative-energy states to the RRPA matrices is examined in a schematic model, and the large effect of Dirac-sea states on isoscalar strength distributions is illustrated for the giant monopole resonance in 116 Sn. It is shown that, because the matrix elements of the time-like component of the vector-meson fields which couple the αh-configurations with the ph-configurations are strongly reduced with respect to the corresponding matrix elements of the isoscalar scalar meson field, the inclusion of states with unperturbed energies more than 1.2 GeV below the Fermi energy has a pronounced effect on giant resonances with excitation energies in the MeV region. The influence of nuclear magnetism, i.e. the effect of the spatial components of the vector fields is examined, and the difference between the nonrelativistic and relativistic RPA predictions for the nuclear matter compression modulus is explained
Relativistic time-dependent Fermion-mass renormalization using statistical regularization
Kutnink, Timothy; McMurray, Christian; Santrach, Amelia; Hockett, Sarah; Barcus, Scott; Petridis, Athanasios
2017-09-01
The time-dependent electromagnetically self-coupled Dirac equation is solved numerically by means of the staggered-leap-frog algorithm with reflecting boundary conditions. The stability region of the method versus the interaction strength and the spatial-grid size over time-step ratio is established. The expectation values of several dynamic operators are then evaluated as functions of time. These include the fermion and electromagnetic energies and the fermion dynamic mass. There is a characteristic, non-exponential, oscillatory dependence leading to asymptotic constants of these expectation values. In the case of the fermion mass this amounts to renormalization. The dependence of the expectation values on the spatial-grid size is evaluated in detail. Furthermore, the contribution of positive and negative energy states to the asymptotic values and the gauge fields is analyzed. Statistical regularization, employing a canonical ensemble whose temperature is the inverse of the grid size, is used to remove the grid-size and momentum-dependence and produce a finite result in the continuum limit.
Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca
2017-04-28
Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches.
Vibrationally resolved photoelectron spectra of lower diamondoids: A time-dependent approach
Xiong, Tao; Włodarczyk, Radosław; Gallandi, Lukas; Körzdörfer, Thomas; Saalfrank, Peter
2018-01-01
Vibrationally resolved lowest-energy bands of the photoelectron spectra (PES) of adamantane, diamantane, and urotropine were simulated by a time-dependent correlation function approach within the harmonic approximation. Geometries and normal modes for neutral and cationic molecules were obtained from B3LYP hybrid density functional theory (DFT). It is shown that the simulated spectra reproduce the experimentally observed vibrational finestructure (or its absence) quite well. Origins of the finestructure are discussed and related to recurrences of autocorrelation functions and dominant vibrations. Remaining quantitative and qualitative errors of the DFT-derived PES spectra refer to (i) an overall redshift by ˜0.5 eV and (ii) the absence of satellites in the high-energy region of the spectra. The former error is shown to be due to the neglect of many-body corrections to ordinary Kohn-Sham methods, while the latter has been argued to be due to electron-nuclear couplings beyond the Born-Oppenheimer approximation [Gali et al., Nat. Commun. 7, 11327 (2016)].
Neoclassical and gyrokinetic analysis of time-dependent helium transport experiments on MAST
Henderson, S. S.; Garzotti, L.; Casson, F. J.; Dickinson, D.; Fox, M. F. J.; O'Mullane, M.; Patel, A.; Roach, C. M.; Summers, H. P.; Valovič, M.; The MAST Team
2014-09-01
Time-dependent helium gas puff experiments have been performed on the Mega Ampère Spherical Tokamak (MAST) during a two point plasma current scan in L-mode and a confinement scan at 900 kA. An evaluation of the He II (n = 4 → 3) spectrum line induced by charge exchange suggests anomalous rates of diffusion and inward convection in the outer regions of both L-mode plasmas. Similar rates of diffusion are found in the H-mode plasma, however these rates are consistent with neoclassical predictions. The anomalous inward pinch found in the core of L-mode plasmas is also not apparent in the H-mode core. Linear gyrokinetic simulations of one flux surface in L-mode using the GS2 and GKW codes find that equilibrium flow shear is sufficient to stabilize ITG modes, consistent with beam emission spectroscopy (BES) observations, and suggest that collisionless TEMs may dominate the anomalous helium particle transport. A quasilinear estimate of the dimensionless peaking factor associated with TEMs is in good agreement with experiment. Collisionless TEMs are more stable in H-mode because the electron density gradient is flatter. The steepness of this gradient is therefore pivotal in determining the inward neoclassical particle pinch and the particle flux associated with TEM turbulence.
Jackson, B. V.; Yu, H. S.; Hick, P. P.; Buffington, A.; Odstrcil, D.; Kim, T. K.; Pogorelov, N. V.; Tokumaru, M.; Bisi, M. M.; Kim, J.; Yun, J.
2017-12-01
The University of California, San Diego has developed an iterative remote-sensing time-dependent three-dimensional (3-D) reconstruction technique which provides volumetric maps of density, velocity, and magnetic field. We have applied this technique in near real time for over 15 years with a kinematic model approximation to fit data from ground-based interplanetary scintillation (IPS) observations. Our modeling concept extends volumetric data from an inner boundary placed above the Alfvén surface out to the inner heliosphere. We now use this technique to drive 3-D MHD models at their inner boundary and generate output 3-D data files that are fit to remotely-sensed observations (in this case IPS observations), and iterated. These analyses are also iteratively fit to in-situ spacecraft measurements near Earth. To facilitate this process, we have developed a traceback from input 3-D MHD volumes to yield an updated boundary in density, temperature, and velocity, which also includes magnetic-field components. Here we will show examples of this analysis using the ENLIL 3D-MHD and the University of Alabama Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) heliospheric codes. These examples help refine poorly-known 3-D MHD variables (i.e., density, temperature), and parameters (gamma) by fitting heliospheric remotely-sensed data between the region near the solar surface and in-situ measurements near Earth.
A time-dependent dusty gas dynamic model of axisymmetric cometary jets
International Nuclear Information System (INIS)
Korosmezey, A.; Gombosi, T.I.
1990-01-01
The present time-dependent, axisymmetric dusty gas dynamical model of inner cometary atmospheres solves the coupled and time-dependent equations of continuity, momentum, and energy for a gas-dust mixture between the surface of the nucleus and 100 km, using an axisymmetric 40 x 40 grid structure. A novel numerical method employing a second-order accurate Godunov-type scheme with dimensional splitting is used to solve the time-dependent pde system. It is established that a subsolar dust spike not predicted by previous calculations is generated by narrow axisymmetric jets, together with a jet cone whose opening angle depends on the jet length. 28 refs
Time-dependent gravitating solitons in five dimensional warped space-times
Giovannini, Massimo
2007-01-01
Time-dependent soliton solutions are explicitly derived in a five-dimensional theory endowed with one (warped) extra-dimension. Some of the obtained geometries, everywhere well defined and technically regular, smoothly interpolate between two five-dimensional anti-de Sitter space-times for fixed value of the conformal time coordinate. Time dependent solutions containing both topological and non-topological sectors are also obtained. Supplementary degrees of freedom can be also included and, in this case, the resulting multi-soliton solutions may describe time-dependent kink-antikink systems.
Goedel, Penrose, anti-Mach: extra supersymmetries of time-dependent plane waves
International Nuclear Information System (INIS)
Blau, Matthias; O'Loughlin, Martin; Meessen, Patrick
2003-01-01
We prove that M-theory plane waves with extra supersymmetries are necessarily homogeneous (but possibly time-dependent), and we show by explicit construction that such time-dependent plane waves can admit extra supersymmetries. To that end we study the Penrose limits of Goedel-like metrics, show that the Penrose limit of the M-theory Goedel metric (with 20 supercharges) is generically a time-dependent homogeneous plane wave of the anti-Mach type, and display the four extra Killings spinors in that case. We conclude with some general remarks on the Killing spinor equations for homogeneous plane waves. (author)
International Nuclear Information System (INIS)
1984-12-01
Reviews are presented firstly of potential events and processes which may affect the evolution of the disposal environments of low and intermediate level radioactive wastes in Britain and secondly of previous studies carried out worldwide in the field of time dependent effects. From the latter review available methodologies for incorporating time dependence into radiological assessments are identified. Finally, proposals are presented for the design and development of a time dependent effects model, based on the existing far field state model (FFSM) developed for ONWI in USA. (author)
Davydov–Chaban Hamiltonian in presence of time-dependent potential
Energy Technology Data Exchange (ETDEWEB)
Sobhani, Hadi; Hassanabadi, Hassan, E-mail: h.hassanabadi@shahroodut.ac.ir
2016-09-10
In this article, we have investigated collective effects of atomic nuclei in presence of a time-dependent potential in Davydov–Chaban Hamiltonian. Since such potential has an explicit time-dependency, in order to obtain the wave function of considered system, we should face with time-dependent Schrödinger equation. Obtaining the wave function could be possible using Lewis–Riesenfeld dynamical invariant method. Appropriate dynamical invariant has been constructed after determining the wave functions and values, the wave function will obtain.
Goedel, Penrose, anti-Mach: extra supersymmetries of time-dependent plane waves
Energy Technology Data Exchange (ETDEWEB)
Blau, Matthias; O' Loughlin, Martin; Meessen, Patrick [SISSA/ISAS, Via Beirut 2-4, 34014 Trieste (Italy)]. E-mail: meessen@sissa.it
2003-09-01
We prove that M-theory plane waves with extra supersymmetries are necessarily homogeneous (but possibly time-dependent), and we show by explicit construction that such time-dependent plane waves can admit extra supersymmetries. To that end we study the Penrose limits of Goedel-like metrics, show that the Penrose limit of the M-theory Goedel metric (with 20 supercharges) is generically a time-dependent homogeneous plane wave of the anti-Mach type, and display the four extra Killings spinors in that case. We conclude with some general remarks on the Killing spinor equations for homogeneous plane waves. (author)
Energy Technology Data Exchange (ETDEWEB)
Aguado, Alfredo [Departamento de Química Física Aplicada (UAM), Unidad Asociada a IFF-CSIC, Facultad de Ciencias Módulo 14, Universidad Autónoma de Madrid, E-28049, Madrid (Spain); Roncero, Octavio; Zanchet, Alexandre [Instituto de Física Fundamental (IFF-CSIC), C.S.I.C., Serrano 123, E-28006 Madrid (Spain); Agúndez, Marcelino; Cernicharo, José, E-mail: octavio.roncero@csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, C/ Sor Juana Inés de la Cruz 3, Cantoblanco E-28049 (Spain)
2017-03-20
The impact of the photodissociation of HCN and HNC isomers is analyzed in different astrophysical environments. For this purpose, the individual photodissociation cross sections of HCN and HNC isomers have been calculated in the 7–13.6 eV photon energy range for a temperature of 10 K. These calculations are based on the ab initio calculation of three-dimensional adiabatic potential energy surfaces of the 21 lower electronic states. The cross sections are then obtained using a quantum wave packet calculation of the rotational transitions needed to simulate a rotational temperature of 10 K. The cross section calculated for HCN shows significant differences with respect to the experimental one, and this is attributed to the need to consider non-adiabatic transitions. Ratios between the photodissociation rates of HCN and HNC under different ultraviolet radiation fields have been computed by renormalizing the rates to the experimental value. It is found that HNC is photodissociated faster than HCN by a factor of 2.2 for the local interstellar radiation field and 9.2 for the solar radiation field, at 1 au. We conclude that to properly describe the HNC/HCN abundance ratio in astronomical environments illuminated by an intense ultraviolet radiation field, it is necessary to use different photodissociation rates for each of the two isomers, which are obtained by integrating the product of the photodissociation cross sections and ultraviolet radiation field over the relevant wavelength range.
Directory of Open Access Journals (Sweden)
Asir Gani
2016-12-01
Full Text Available Time-dependent aqueous extraction of six tea types was carried out with leaf–water–ratio of 0.5 g/100 ml, temperature of extraction 90°C and time of extraction ranging from 1 to 10 min. UV–vis spectroscopic analysis in the range varying from 220 to 900 nm of the aqueous tea extracts showed a prominent peak at 273 nm in the ultraviolet region which can be associated with n → π* electronic transition of caffeine molecules. Parabolic diffusion, Power law, hyperbolic, Weibull’s and Elovich’s models were fitted to represent the aqueous soluble component extraction behaviour for time-dependent extraction of aqueous extractables. Parabolic diffusion model, Power law and Elovich’s model were a close fit to the experimental data for all the selected tea types with correlation coefficients (R2 ranging 0.8029–0.9953, whereas hyperbolic and Weibull’s models showed poor fitness to represent the extraction behaviour of fanning and AO leaf, LD, fanning and dust, respectively, with R2 < 0.8, for time-dependent aqueous soluble component extraction.
TDTORT: Time-Dependent, 3-D, Discrete Ordinates, Neutron Transport Code System with Delayed Neutrons
International Nuclear Information System (INIS)
2002-01-01
1 - Description of program or function: TDTORT solves the time-dependent, three-dimensional neutron transport equation with explicit representation of delayed neutrons to estimate the fission yield from fissionable material transients. This release includes a modified version of TORT from the C00650MFMWS01 DOORS3.1 code package plus the time-dependent TDTORT code. GIP is also included for cross-section preparation. TORT calculates the flux or fluence of particles due to particles incident upon the system from extraneous sources or generated internally as a result of interaction with the system in two- or three-dimensional geometric systems. The principle application is to the deep-penetration transport of neutrons and photons. Reactor eigenvalue problems can also be solved. Numerous printed edits of the results are available, and results can be transferred to output files for subsequent analysis. TDTORT reads ANISN-format cross-section libraries, which are not included in the package. Users may choose from several available in RSICC's data library collection which can be identified by the keyword 'ANISN FORMAT'. 2 - Methods:The time-dependent spatial flux is expressed as a product of a space-, energy-, and angle-dependent shape function, which is usually slowly varying in time and a purely time-dependent amplitude function. The shape equation is solved for the shape using TORT; and the result is used to calculate the point kinetics parameters (e.g., reactivity) by using their inner product definitions, which are then used to solve the time-dependent amplitude and precursor equations. The amplitude function is calculated by solving the kinetics equations using the LSODE solver. When a new shape calculation is needed, the flux is calculated using the newly computed amplitude function. The Boltzmann transport equation is solved using the method of discrete ordinates to treat the directional variable and weighted finite-difference methods, in addition to Linear Nodal
Directory of Open Access Journals (Sweden)
Te-Wen Tu
2015-01-01
Full Text Available An analytical solution for the heat transfer in hollow cylinders with time-dependent boundary condition and time-dependent heat transfer coefficient at different surfaces is developed for the first time. The methodology is an extension of the shifting function method. By dividing the Biot function into a constant plus a function and introducing two specially chosen shifting functions, the system is transformed into a partial differential equation with homogenous boundary conditions only. The transformed system is thus solved by series expansion theorem. Limiting cases of the solution are studied and numerical results are compared with those in the literature. The convergence rate of the present solution is fast and the analytical solution is simple and accurate. Also, the influence of physical parameters on the temperature distribution of a hollow cylinder along the radial direction is investigated.
Application of Trotter approximation for solving time dependent neutron transport equation
International Nuclear Information System (INIS)
Stancic, V.
1987-01-01
A method is proposed to solve multigroup time dependent neutron transport equation with arbitrary scattering anisotropy. The recurrence relation thus obtained is simple, numerically stable and especially suitable for treatment of complicated geometries. (author)
The master symmetry and time dependent symmetries of the differential–difference KP equation
International Nuclear Information System (INIS)
Khanizadeh, Farbod
2014-01-01
We first obtain the master symmetry of the differential–difference KP equation. Then we show how this master symmetry, through sl(2,C)-representation of the equation, can construct generators of time dependent symmetries. (paper)
Experimental Quantum-Walk Revival with a Time-Dependent Coin
Xue, P.; Zhang, R.; Qin, H.; Zhan, X.; Bian, Z. H.; Li, J.; Sanders, Barry C.
2015-04-01
We demonstrate a quantum walk with time-dependent coin bias. With this technique we realize an experimental single-photon one-dimensional quantum walk with a linearly ramped time-dependent coin flip operation and thereby demonstrate two periodic revivals of the walker distribution. In our beam-displacer interferometer, the walk corresponds to movement between discretely separated transverse modes of the field serving as lattice sites, and the time-dependent coin flip is effected by implementing a different angle between the optical axis of half-wave plate and the light propagation at each step. Each of the quantum-walk steps required to realize a revival comprises two sequential orthogonal coin-flip operators, with one coin having constant bias and the other coin having a time-dependent ramped coin bias, followed by a conditional translation of the walker.
Time dependent theory of two-step absorption of two pulses
Energy Technology Data Exchange (ETDEWEB)
Rebane, Inna, E-mail: inna.rebane@ut.ee
2015-09-25
The time dependent theory of two step-absorption of two different light pulses with arbitrary duration in the electronic three-level model is proposed. The probability that the third level is excited at the moment t is found in depending on the time delay between pulses, the spectral widths of the pulses and the energy relaxation constants of the excited electronic levels. The time dependent perturbation theory is applied without using “doorway–window” approach. The time and spectral behavior of the spectrum using in calculations as simple as possible model is analyzed. - Highlights: • Time dependent theory of two-step absorption in the three-level model is proposed. • Two different light pulses with arbitrary duration is observed. • The time dependent perturbation theory is applied without “door–window” approach. • The time and spectral behavior of the spectra is analyzed for several cases.
Electromagnetic wave propagation in time-dependent media with antisymmetric magnetoelectric coupling
International Nuclear Information System (INIS)
Lin, Shi-Rong; Zhang, Ruo-Yang; Ma, Yi-Rong; Jia, Wei; Zhao, Qing
2016-01-01
Highlights: • Time-dependent permittivity combined with antisymmetric magnetoelectric coupling will yield a novel linear birefringence. • Distinct dynamical behaviors of these two birefringent modes are analyzed. • As a new nonlinear optical effect, a scheme utilizing optical Kerr effect in moving media is proposed. - Abstract: This paper deals with electromagnetic wave propagation in time-dependent media with an antisymmetric magnetoelectric coupling and an isotropic time-dependent permittivity. We identify a new mechanism of linear birefringence, originated from the combined action of the time-dependent permittivity and the antisymmetric magnetoelectric coupling. Permittivity with linear and exponential temporal variations exemplifies the creation and control of these two distinct types of linear birefringent modes. As a novel nonlinear optical effect, a scheme utilizing optical Kerr effect in moving media is proposed for the realization of the predicted birefringence.
Electromagnetic wave propagation in time-dependent media with antisymmetric magnetoelectric coupling
Energy Technology Data Exchange (ETDEWEB)
Lin, Shi-Rong [School of Physics, Beijing Institute of Technology, Beijing 100081 (China); Zhang, Ruo-Yang [Theoretical Physics Division, Chern Institute of Mathematics, Nankai University, Tianjin 300071 (China); Ma, Yi-Rong; Jia, Wei [School of Physics, Beijing Institute of Technology, Beijing 100081 (China); Zhao, Qing, E-mail: qzhaoyuping@bit.edu.cn [School of Physics, Beijing Institute of Technology, Beijing 100081 (China)
2016-07-29
Highlights: • Time-dependent permittivity combined with antisymmetric magnetoelectric coupling will yield a novel linear birefringence. • Distinct dynamical behaviors of these two birefringent modes are analyzed. • As a new nonlinear optical effect, a scheme utilizing optical Kerr effect in moving media is proposed. - Abstract: This paper deals with electromagnetic wave propagation in time-dependent media with an antisymmetric magnetoelectric coupling and an isotropic time-dependent permittivity. We identify a new mechanism of linear birefringence, originated from the combined action of the time-dependent permittivity and the antisymmetric magnetoelectric coupling. Permittivity with linear and exponential temporal variations exemplifies the creation and control of these two distinct types of linear birefringent modes. As a novel nonlinear optical effect, a scheme utilizing optical Kerr effect in moving media is proposed for the realization of the predicted birefringence.
Hilal, Rifaat; Aziz, Saadullah G.; Osman, Osman I.; Bredas, Jean-Luc
2017-01-01
We aim at providing better insight into the parameters that govern the intramolecular charge transfer (ICT) and photo-injection processes in dyes for dye-sensitised solar cells (DSSC). Density functional theory (DFT) and time-dependent DFT (TD
Time-dependent anisotropic distributed source capability in transient 3-d transport code tort-TD
International Nuclear Information System (INIS)
Seubert, A.; Pautz, A.; Becker, M.; Dagan, R.
2009-01-01
The transient 3-D discrete ordinates transport code TORT-TD has been extended to account for time-dependent anisotropic distributed external sources. The extension aims at the simulation of the pulsed neutron source in the YALINA-Thermal subcritical assembly. Since feedback effects are not relevant in this zero-power configuration, this offers a unique opportunity to validate the time-dependent neutron kinetics of TORT-TD with experimental data. The extensions made in TORT-TD to incorporate a time-dependent anisotropic external source are described. The steady state of the YALINA-Thermal assembly and its response to an artificial square-wave source pulse sequence have been analysed with TORT-TD using pin-wise homogenised cross sections in 18 prompt energy groups with P 1 scattering order and 8 delayed neutron groups. The results demonstrate the applicability of TORT-TD to subcritical problems with a time-dependent external source. (authors)
Optical properties of Al nanostructures from time dependent density functional theory
Mokkath, Junais Habeeb; Schwingenschlö gl, Udo
2016-01-01
The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting
WANG, Qingrong; ZHU, Changfeng; LI, Ying; ZHANG, Zhengkun
2017-06-01
Considering the time dependence of emergency logistic network and complexity of the environment that the network exists in, in this paper the time dependent network optimization theory and robust discrete optimization theory are combined, and the emergency logistics dynamic network optimization model with characteristics of robustness is built to maximize the timeliness of emergency logistics. On this basis, considering the complexity of dynamic network and the time dependence of edge weight, an improved ant colony algorithm is proposed to realize the coupling of the optimization algorithm and the network time dependence and robustness. Finally, a case study has been carried out in order to testify validity of this robustness optimization model and its algorithm, and the value of different regulation factors was analyzed considering the importance of the value of the control factor in solving the optimal path. Analysis results show that this model and its algorithm above-mentioned have good timeliness and strong robustness.
Integration of the time-dependent heat equation in the fuel rod performance program IAMBUS
International Nuclear Information System (INIS)
West, G.
1982-01-01
An iterative numerical method for integration of the time-dependent heat equation is described. No presuppositions are made for the dependency of the thermal conductivity and heat capacity on space, time and temperature. (orig.) [de
International Nuclear Information System (INIS)
Ibarra-Sierra, V.G.; Sandoval-Santana, J.C.; Cardoso, J.L.; Kunold, A.
2015-01-01
We discuss the one-dimensional, time-dependent general quadratic Hamiltonian and the bi-dimensional charged particle in time-dependent electromagnetic fields through the Lie algebraic approach. Such method consists in finding a set of generators that form a closed Lie algebra in terms of which it is possible to express a quantum Hamiltonian and therefore the evolution operator. The evolution operator is then the starting point to obtain the propagator as well as the explicit form of the Heisenberg picture position and momentum operators. First, the set of generators forming a closed Lie algebra is identified for the general quadratic Hamiltonian. This algebra is later extended to study the Hamiltonian of a charged particle in electromagnetic fields exploiting the similarities between the terms of these two Hamiltonians. These results are applied to the solution of five different examples: the linear potential which is used to introduce the Lie algebraic method, a radio frequency ion trap, a Kanai–Caldirola-like forced harmonic oscillator, a charged particle in a time dependent magnetic field, and a charged particle in constant magnetic field and oscillating electric field. In particular we present exact analytical expressions that are fitting for the study of a rotating quadrupole field ion trap and magneto-transport in two-dimensional semiconductor heterostructures illuminated by microwave radiation. In these examples we show that this powerful method is suitable to treat quadratic Hamiltonians with time dependent coefficients quite efficiently yielding closed analytical expressions for the propagator and the Heisenberg picture position and momentum operators. -- Highlights: •We deal with the general quadratic Hamiltonian and a particle in electromagnetic fields. •The evolution operator is worked out through the Lie algebraic approach. •We also obtain the propagator and Heisenberg picture position and momentum operators. •Analytical expressions for a
Energy Technology Data Exchange (ETDEWEB)
Ibarra-Sierra, V.G.; Sandoval-Santana, J.C. [Departamento de Física, Universidad Autónoma Metropolitana Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 México D.F. (Mexico); Cardoso, J.L. [Área de Física Teórica y Materia Condensada, Universidad Autónoma Metropolitana Azcapotzalco, Av. San Pablo 180, Col. Reynosa-Tamaulipas, Azcapotzalco, 02200 México D.F. (Mexico); Kunold, A., E-mail: akb@correo.azc.uam.mx [Área de Física Teórica y Materia Condensada, Universidad Autónoma Metropolitana Azcapotzalco, Av. San Pablo 180, Col. Reynosa-Tamaulipas, Azcapotzalco, 02200 México D.F. (Mexico)
2015-11-15
We discuss the one-dimensional, time-dependent general quadratic Hamiltonian and the bi-dimensional charged particle in time-dependent electromagnetic fields through the Lie algebraic approach. Such method consists in finding a set of generators that form a closed Lie algebra in terms of which it is possible to express a quantum Hamiltonian and therefore the evolution operator. The evolution operator is then the starting point to obtain the propagator as well as the explicit form of the Heisenberg picture position and momentum operators. First, the set of generators forming a closed Lie algebra is identified for the general quadratic Hamiltonian. This algebra is later extended to study the Hamiltonian of a charged particle in electromagnetic fields exploiting the similarities between the terms of these two Hamiltonians. These results are applied to the solution of five different examples: the linear potential which is used to introduce the Lie algebraic method, a radio frequency ion trap, a Kanai–Caldirola-like forced harmonic oscillator, a charged particle in a time dependent magnetic field, and a charged particle in constant magnetic field and oscillating electric field. In particular we present exact analytical expressions that are fitting for the study of a rotating quadrupole field ion trap and magneto-transport in two-dimensional semiconductor heterostructures illuminated by microwave radiation. In these examples we show that this powerful method is suitable to treat quadratic Hamiltonians with time dependent coefficients quite efficiently yielding closed analytical expressions for the propagator and the Heisenberg picture position and momentum operators. -- Highlights: •We deal with the general quadratic Hamiltonian and a particle in electromagnetic fields. •The evolution operator is worked out through the Lie algebraic approach. •We also obtain the propagator and Heisenberg picture position and momentum operators. •Analytical expressions for a
Hesselmann, Andreas; Görling, Andreas
2011-01-21
A recently introduced time-dependent exact-exchange (TDEXX) method, i.e., a response method based on time-dependent density-functional theory that treats the frequency-dependent exchange kernel exactly, is reformulated. In the reformulated version of the TDEXX method electronic excitation energies can be calculated by solving a linear generalized eigenvalue problem while in the original version of the TDEXX method a laborious frequency iteration is required in the calculation of each excitation energy. The lowest eigenvalues of the new TDEXX eigenvalue equation corresponding to the lowest excitation energies can be efficiently obtained by, e.g., a version of the Davidson algorithm appropriate for generalized eigenvalue problems. Alternatively, with the help of a series expansion of the new TDEXX eigenvalue equation, standard eigensolvers for large regular eigenvalue problems, e.g., the standard Davidson algorithm, can be used to efficiently calculate the lowest excitation energies. With the help of the series expansion as well, the relation between the TDEXX method and time-dependent Hartree-Fock is analyzed. Several ways to take into account correlation in addition to the exact treatment of exchange in the TDEXX method are discussed, e.g., a scaling of the Kohn-Sham eigenvalues, the inclusion of (semi)local approximate correlation potentials, or hybrids of the exact-exchange kernel with kernels within the adiabatic local density approximation. The lowest lying excitations of the molecules ethylene, acetaldehyde, and pyridine are considered as examples.
Synergistic effects for the TiO2/RuO2/Pt photodissociation of water
Energy Technology Data Exchange (ETDEWEB)
Blondel, G; Harriman, A; Williams, D
1983-07-01
Compressed discs of naked TiO2 or TiO2 coated with a thin film of a noble metal (e.g. Pt) do not photodissociate water upon illumination with UV light, but small amounts of H2 are generated if the TiO2 has been reduced in a stream of H2 at 600 C. Discs prepared from mixtures of TiO2/RuO2 facilitate the UV photodissociation of water into H2 and O2 although the yields are very low. When a thin (about 9 nm) film of Pt is applied to the TiO2/RuO2 discs, the yields of H2 and O2 observed upon irradiation with UV light are improved drastically. 25 references.
Energy Technology Data Exchange (ETDEWEB)
Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)
1999-12-01
This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.
Photodissociation thresholds of OH produced from CH sub 3 OH in solid neon and argon
Cheng, B M; Lo, W J; Lee, Y P
2001-01-01
Photodissociation thresholds of OH from CH sub 3 OH in solid Ne and Ar were determined via photolysis of CH sub 3 OH/Ne and CH sub 3 OH/Ar (1/200) samples in situ at 4 K. The samples were irradiated with VUV synchrotron radiation after dispersion by a Seya-Namioka monochromator. The OH photo-product was detected by means of laser-induced fluorescence technique. The increase of fluorescent intensity of OH was monitored and recorded after the matrix sample was irradiated at different wavelengths for 3-5 min. Photodissociation threshold energies of 7.13+-0.02 eV (174.0+-0.5 nm) and 7.08+-0.04 eV (175.0+-1.0 nm) were measured for OH production of CH sub 3 OH in solid Ne and Ar, respectively.
Effect of linear chirp on strong field photodissociation of H+2
International Nuclear Information System (INIS)
Prabhudesai, Vaibhav; Natan, Adi; Bruner, Barry; Silberberg, Yaron; Lev, Uri; Heber, Oded; Strasser, Daniel; Schwalm, Dirk; Zajfman, Daniel; Ben-Itzhak, Itzik
2011-01-01
We report the experimental findings of a systematic study of the effect of linear chirp on strong field photodissociation of H + 2 . For vibrational levels around or above the one photon crossing, the effect manifests itself in terms of a shift in the kinetic energy release (KER) peaks. The peaks shift up for negative chirp whereas they shift down for positive chirp. The measurements are carried out by varying two of the three laser pulse characteristics, energy, pulse peak intensity and linear chirp, while keeping the third constant. The shifts in the KER peaks are found to be intensity dependent for a given value of chirp. However, in the last two cases (i.e., fixed pulsed energy and fixed pulse peak intensity), they are found to be independent of the chirp magnitude. The results are understood on the basis of saturation of photodissociation probabilities for these levels.
Effect of linear chirp on strong field photodissociation of H{sup +}{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Prabhudesai, Vaibhav; Natan, Adi; Bruner, Barry; Silberberg, Yaron; Lev, Uri; Heber, Oded; Strasser, Daniel; Schwalm, Dirk; Zajfman, Daniel [Weizmann Institute of Science, 76100 (Israel); Ben-Itzhak, Itzik [Kansas State University, Kansas (United States)
2011-10-15
We report the experimental findings of a systematic study of the effect of linear chirp on strong field photodissociation of H{sup +}{sub 2}. For vibrational levels around or above the one photon crossing, the effect manifests itself in terms of a shift in the kinetic energy release (KER) peaks. The peaks shift up for negative chirp whereas they shift down for positive chirp. The measurements are carried out by varying two of the three laser pulse characteristics, energy, pulse peak intensity and linear chirp, while keeping the third constant. The shifts in the KER peaks are found to be intensity dependent for a given value of chirp. However, in the last two cases (i.e., fixed pulsed energy and fixed pulse peak intensity), they are found to be independent of the chirp magnitude. The results are understood on the basis of saturation of photodissociation probabilities for these levels.
International Nuclear Information System (INIS)
Zanni, Martin T.
1999-01-01
This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents
Characteristic analysis of laser isotope separation process by two-step photodissociation method
International Nuclear Information System (INIS)
Okamoto, Tsuyoshi; Suzuki, Atsuyuki; Kiyose, Ryohei
1981-01-01
A large number of laser isotope separation experiments have been performed actively in many countries. In this paper, the selective two-step photodissociation method is chosen and simultaneous nonlinear differential equations that express the separation process are solved directly by using computer. Predicted separation factors are investigated in relation to the incident pulse energy and the concentration of desired molecules. Furthermore, the concept of separative work is used to evaluate the results of separation for this method. It is shown from an example of numerical calculation that a very large separation factor can be obtained if the concentration of desired molecules is lowered and two laser pulses to be closely synchronized are not always required in operation for the photodissociation of molecules. (author)
Dynamical control of matter-wave splitting using time-dependent optical lattices
DEFF Research Database (Denmark)
Park, Sung Jong; Andersen, Henrik Kjær; Mai, Sune
2012-01-01
We report on measurements of splitting Bose-Einstein condensates (BEC) by using a time-dependent optical lattice potential. First, we demonstrate the division of a BEC into a set of equally populated components by means of time-dependent control of Landau-Zener tunneling in a vertical lattice....... Finally, a combination of multiple Bragg reflections and Landau-Zener tunneling allows for the generation of macroscopic arrays of condensates with potential applications in atom optics and atom interferometry....
Functional approach to a time-dependent self-consistent field theory
International Nuclear Information System (INIS)
Reinhardt, H.
1979-01-01
The time-dependent Hartree-Fock approximation is formulated within the path integral approach. It is shown that by a suitable choice of the collective field the classical equation of motion of the collective field coincides with the time-dependent Hartree (TDH) equation. The consideration is restricted to the TDH equation, since the exchange terms do not appear in the functional approach on the same footing as the direct terms
A Realization of a Quasi-Random Walk for Atoms in Time-Dependent Optical Potentials
Directory of Open Access Journals (Sweden)
Torsten Hinkel
2015-09-01
Full Text Available We consider the time dependent dynamics of an atom in a two-color pumped cavity, longitudinally through a side mirror and transversally via direct driving of the atomic dipole. The beating of the two driving frequencies leads to a time dependent effective optical potential that forces the atom into a non-trivial motion, strongly resembling a discrete random walk behavior between lattice sites. We provide both numerical and analytical analysis of such a quasi-random walk behavior.
Skouri, K.; Konstantaras, I.
2009-01-01
An order level inventory model for seasonable/fashionable products subject to a period of increasing demand followed by a period of level demand and then by a period of decreasing demand rate (three branches ramp type demand rate) is considered. The unsatisfied demand is partially backlogged with a time dependent backlogging rate. In addition, the product deteriorates with a time dependent, namely, Weibull, deterioration rate. The model is studied under the following different replenishment p...
Testing the multi-configuration time-dependent Hartree-Fock method
International Nuclear Information System (INIS)
Zanghellini, Juergen; Kitzler, Markus; Brabec, Thomas; Scrinzi, Armin
2004-01-01
We test the multi-configuration time-dependent Hartree-Fock method as a new approach towards the numerical calculation of dynamical processes in multi-electron systems using the harmonic quantum dot and one-dimensional helium in strong laser pulses as models. We find rapid convergence for quantities such as ground-state population, correlation coefficient and single ionization towards the exact results. The method converges, where the time-dependent Hartree-Fock method fails qualitatively
Time-dependent--S-matrix Hartree-Fock theory of complex reactions
International Nuclear Information System (INIS)
Griffin, J.J.; Lichtner, P.C.; Dworzecka, M.
1980-01-01
Some limitations of the conventional time-dependent Hartree-Fock method for describing complex reactions are noted, and one particular ubiquitous defect is discussed in detail: the post-breakup spurious cross channel correlations which arise whenever several asymptotic reaction channels must be simultaneously described by a single determinant. A reformulated time-dependent--S-matrix Hartree-Fock theory is proposed, which obviates this difficulty. Axiomatic requirements minimal to assure that the time-dependent--S-matrix Hartree-Fock theory represents an unambiguous and physically interpretable asymptotic reaction theory are utilized to prescribe conditions upon the definition of acceptable asymptotic channels. That definition, in turn, defines the physical range of the time-dependent--S-matrix Hartree-Fock theory to encompass the collisions of mathematically well-defined ''time-dependent Hartree-Fock droplets.'' The physical properties of these objects then circumscribe the content of the Hartree-Fock single determinantal description. If their periodic vibrations occur for continuous ranges of energy then the resulting ''classical'' time-dependent Hartree-Fock droplets are seen to be intrinsically dissipative, and the single determinantal description of their collisions reduces to a ''trajectory'' theory which can describe the masses and relative motions of the fragments but can provide no information about specific asymptotic excited states beyond their constants of motion, or the average properties of the limit, if it exists, of their equilibrization process. If, on the other hand, the periodic vibrations of the time-dependent Hartree-Fock droplets are discrete in energy, then the time-dependent--S-matrix Hartree-Fock theory can describe asymptotically the time-average properties of the whole spectrum of such periodic vibrations
Intense field stabilization in circular polarization: Three-dimensional time-dependent dynamics
International Nuclear Information System (INIS)
Choi, Dae-Il; Chism, Will
2002-01-01
We investigate the stabilization of hydrogen atoms in a circularly polarized laser field. We use a three-dimensional, time-dependent approach to study the quantum dynamics of hydrogen atoms subject to high-intensity, short-wavelength, laser pulses. We find an enhanced survival probability as the field is increased under fixed envelope conditions. We also confirm wave packet behaviors previously seen in two-dimensional time-dependent computations
Photodetachment of the H− ion in a linear time-dependent electric field
International Nuclear Information System (INIS)
Wang, De-Hua; Chen, Zhaohang; Cheng, Shaohao
2016-01-01
Using the time-dependent closed orbit theory, we study the photodetachment of the H − ion in a linear time-dependent electric field for the first time. An analytical formula for calculating the time-dependent photodetachment cross section of this system has been put forward. It is found when the external electric field changes very slowly with time, there is only one closed orbit of the detached electron and the photodetachment cross section is quite stable. However, when the electric field changes quickly with time, three different types of closed orbits are found and the photodetachment cross section oscillates in a much more complex way. The connection of each type of closed orbit with the oscillatory structure in the photodetachment cross section is analyzed quantitatively. In addition, the photon energy and the laser field parameters can also have great influence on the time-dependent photodetachment cross section of this system. This study provides a clear and intuitive picture for the photodetachment dynamics of a negative ion in the presence of a time-dependent electric field and may guide future experimental studies exploring the quantum effect in the photodetachment dynamics of negative ions from a time-dependent viewpoint. (paper)
Time-Dependent Global Sensitivity Analysis for Long-Term Degeneracy Model Using Polynomial Chaos
Directory of Open Access Journals (Sweden)
Jianbin Guo
2014-07-01
Full Text Available Global sensitivity is used to quantify the influence of uncertain model inputs on the output variability of static models in general. However, very few approaches can be applied for the sensitivity analysis of long-term degeneracy models, as far as time-dependent reliability is concerned. The reason is that the static sensitivity may not reflect the completed sensitivity during the entire life circle. This paper presents time-dependent global sensitivity analysis for long-term degeneracy models based on polynomial chaos expansion (PCE. Sobol’ indices are employed as the time-dependent global sensitivity since they provide accurate information on the selected uncertain inputs. In order to compute Sobol’ indices more efficiently, this paper proposes a moving least squares (MLS method to obtain the time-dependent PCE coefficients with acceptable simulation effort. Then Sobol’ indices can be calculated analytically as a postprocessing of the time-dependent PCE coefficients with almost no additional cost. A test case is used to show how to conduct the proposed method, then this approach is applied to an engineering case, and the time-dependent global sensitivity is obtained for the long-term degeneracy mechanism model.
Imaging of rotational wave-function in photodissociation of rovibrationally excited HCl molecules
Czech Academy of Sciences Publication Activity Database
Grygoryeva, Kateřina; Rakovský, Jozef; Votava, Ondřej; Fárník, Michal
2017-01-01
Roč. 147, č. 1 (2017), č. článku 013901. ISSN 0021-9606 R&D Projects: GA ČR GA14-08937S; GA ČR GA13-11635S Institutional support: RVO:61388955 Keywords : Angular distribution * Chemical reactions * Photodissociation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016
Photodissociation dynamics of 1-propanol and 2-propanol at 193.3 nm
International Nuclear Information System (INIS)
Zhou Weidong; Yuan Yan; Zhang Jingsong
2003-01-01
193.3-nm photodissociation dynamics of jet-cooled 1-propanol and 2-propanol and their partially deuterated variants are examined by using the high-n Rydberg-atom time-of-flight technique. Isotope labeling studies show that O-H bond fission is the primary H-atom production channel in the ultraviolet photodissociation of both 1-propanol and 2-propanol. Center-of-mass (c.m.) product translational energy release of the RO-H dissociation channel is large, with T >=0.78 for H+1-propoxy (n-propoxy) and 0.79 for H+2-propoxy (isoproxy). Maximum c.m. translational energy release yields an upper limit of the O-H bond dissociation energy: 433±2 kJ/mol in 1-propanol and 435±2 kJ/mol in 2-propanol. H-atom product angular distribution is anisotropic (with β≅-0.79 for 1-propanol and -0.77 for 2-propanol), suggesting an electronic transition moment perpendicular to the H-O-C plane and a short excited-state dissociation lifetime (less than a rotational period). Information about photodissociation dynamics and bond energies of the partially deuterated propanols are also obtained. The 193.3-nm photodissociation dynamics of 1-propanol and 2-propanol are nearly identical to each other and are similar to those of methanol and ethanol. This indicates a common RO-H dissociation mechanism: after the n O →σ * (O-H)/3s excitation localized on the H-O-C moiety, the H atom is ejected promptly in the H-O-C plane in a time scale shorter than a rotational period of the parent molecule, and it dissociates along the O-H coordinate on the repulsive excited-state potential-energy surface with a large translational energy release
International Nuclear Information System (INIS)
Arbelo-González, W.; Bonnet, L.; Larrégaray, P.; Rayez, J.-C.; Rubayo-Soneira, J.
2012-01-01
Graphical abstract: A recent classical description of photodissociation dynamics in a quantum spirit is applied for the first time to a realistic process, the fragmentation of NeBr 2 . Highlights: ► The photo-dissociation of NeBr 2 is studied by means of two approaches. ► The first is the standard classical one with Gaussian binning. ► The second is a new method applied for the first time to a realistic system. ► The new method leads to exactly the same results as the standard one. ► However, it requires about 10 times less trajectories in the present case. - Abstract: The recent classical dynamical approach of photodissociations with Bohr quantization [L. Bonnet, J. Chem. Phys. 133 (2010) 174108] is applied for the first time to a realistic process, the photofragmentation of the van der Waals cluster NeBr 2 . We illustrate the fact that this approach, formally equivalent to the standard one, may be numerically much more efficient.
International Nuclear Information System (INIS)
Wang Xiaojing; Wang Wei; Han Peilin; Kubo, Momoji; Miyamoto, Akira
2008-01-01
An accelerated quantum chemical molecular dynamical code 'Colors-Excite' was used to investigate the photolysis of alkyl nitrites series, RONO (R=CH 3 and C(CH 3 ) 3 ) on copper surfaces. Our calculations showed that the photo-dissociated processes are associated with the alkyl substituents of RONO when adsorbed on copper surfaces. For R=CH 3 , a two-step photolysis reaction occurred, yielding diverse intermediate products including RO radical, NO, and HNO, consistent with those reported in gas phase. While for R=C(CH 3 ) 3 , only one-step photolysis reaction occurred and gave intermediate products of RO radical and NO. Consequently, pure RO species were achieved to adsorb on metal surfaces by removing the NO species in photolysis reaction. The detailed photo-dissociated behaviors of RONO on copper surfaces with different alkyl substituents which are uncovered by the present simulation can be extended to explain the diverse dissociative mechanism experimentally observed. The quantum chemical molecular dynamical code 'Colors-Excite' is proved to be highly applicable to the photo-dissociations on metal surfaces
McDonald, Mickey; McGuyer, Bart H.; Lee, Chih-Hsi; Apfelbeck, Florian; Zelevinsky, Tanya
2016-05-01
When a molecule is subjected to a sufficiently energetic photon it can break apart into fragments through a process called ``photodissociation''. For over 70 years this simple chemical reaction has served as a vital experimental tool for acquiring information about molecular structure, since the character of the photodissociative transition can be inferred by measuring the 3D photofragment angular distribution (PAD). While theoretical understanding of this process has gradually evolved from classical considerations to a fully quantum approach, experiments to date have not yet revealed the full quantum nature of this process. In my talk I will describe recent experiments involving the photodissociation of ultracold, optical lattice-trapped, and fully quantum state-resolved 88Sr2 molecules. Optical absorption images of the PADs produced in these experiments reveal features which are inherently quantum mechanical in nature, such as matter-wave interference between output channels, and are sensitive to the quantum statistics of the molecular wavefunctions. The results of these experiments cannot be predicted using quasiclassical methods. Instead, we describe our results with a fully quantum mechanical model yielding new intuition about ultracold chemistry.
Time-dependent wave-packet study of the direct low-energy dissociative recombination of HD+
International Nuclear Information System (INIS)
Orel, A. E.
2000-01-01
Wave-packet methods involving the numerical solution of the time-dependent Schroedinger equation have been used with great success in the calculation of cross sections for dissociative recombination of molecular ions by electron impact in the high energy region where the ''boomerang'' model [L. Dube and A. Herzenberg, Phys. Rev. A 11, 1314 (1975)] is valid. We extend this method to study low-energy dissociative recombination where this approximation is no longer appropriate. We apply the method to the ''direct'' low-energy dissociative recombination of HD + . Our results are in excellent agreement with calculations using the multichannel quantum defect method. (c) 2000 The American Physical Society
Kuisma, Mikael; Sakko, Arto; Rossi, Tuomas P.; Larsen, Ask H.; Enkovaara, Jussi; Lehtovaara, Lauri; Rantala, Tapio T.
2015-01-01
We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm, converging close to the classical quasistatic limit around 3.4 eV. We base the observation on time-dependent density-functional theory simulations of the icosahedral silver clusters Ag$_{55}$ (1.06 nm), Ag$_{147}$ (1.60 nm), Ag$_{309}$ (2.14 nm), and Ag$_{561}$ (2.68 nm). The simulation method combines the adiabat...
Space-Time Dependent Transport, Activation, and Dose Rates for Radioactivated Fluids.
Gavazza, Sergio
Two methods are developed to calculate the space - and time-dependent mass transport of radionuclides, their production and decay, and the associated dose rates generated from the radioactivated fluids flowing through pipes. The work couples space- and time-dependent phenomena, treated as only space- or time-dependent in the open literature. The transport and activation methodology (TAM) is used to numerically calculate space- and time-dependent transport and activation of radionuclides in fluids flowing through pipes exposed to radiation fields, and volumetric radioactive sources created by radionuclide motions. The computer program Radionuclide Activation and Transport in Pipe (RNATPA1) performs the numerical calculations required in TAM. The gamma ray dose methodology (GAM) is used to numerically calculate space- and time-dependent gamma ray dose equivalent rates from the volumetric radioactive sources determined by TAM. The computer program Gamma Ray Dose Equivalent Rate (GRDOSER) performs the numerical calculations required in GAM. The scope of conditions considered by TAM and GAM herein include (a) laminar flow in straight pipe, (b)recirculating flow schemes, (c) time-independent fluid velocity distributions, (d) space-dependent monoenergetic neutron flux distribution, (e) space- and time-dependent activation process of a single parent nuclide and transport and decay of a single daughter radionuclide, and (f) assessment of space- and time-dependent gamma ray dose rates, outside the pipe, generated by the space- and time-dependent source term distributions inside of it. The methodologies, however, can be easily extended to include all the situations of interest for solving the phenomena addressed in this dissertation. A comparison is made from results obtained by the described calculational procedures with analytical expressions. The physics of the problems addressed by the new technique and the increased accuracy versus non -space and time-dependent methods
A modular method to handle multiple time-dependent quantities in Monte Carlo simulations
International Nuclear Information System (INIS)
Shin, J; Faddegon, B A; Perl, J; Schümann, J; Paganetti, H
2012-01-01
A general method for handling time-dependent quantities in Monte Carlo simulations was developed to make such simulations more accessible to the medical community for a wide range of applications in radiotherapy, including fluence and dose calculation. To describe time-dependent changes in the most general way, we developed a grammar of functions that we call ‘Time Features’. When a simulation quantity, such as the position of a geometrical object, an angle, a magnetic field, a current, etc, takes its value from a Time Feature, that quantity varies over time. The operation of time-dependent simulation was separated into distinct parts: the Sequence samples time values either sequentially at equal increments or randomly from a uniform distribution (allowing quantities to vary continuously in time), and then each time-dependent quantity is calculated according to its Time Feature. Due to this modular structure, time-dependent simulations, even in the presence of multiple time-dependent quantities, can be efficiently performed in a single simulation with any given time resolution. This approach has been implemented in TOPAS (TOol for PArticle Simulation), designed to make Monte Carlo simulations with Geant4 more accessible to both clinical and research physicists. To demonstrate the method, three clinical situations were simulated: a variable water column used to verify constancy of the Bragg peak of the Crocker Lab eye treatment facility of the University of California, the double-scattering treatment mode of the passive beam scattering system at Massachusetts General Hospital (MGH), where a spinning range modulator wheel accompanied by beam current modulation produces a spread-out Bragg peak, and the scanning mode at MGH, where time-dependent pulse shape, energy distribution and magnetic fields control Bragg peak positions. Results confirm the clinical applicability of the method. (paper)
Directory of Open Access Journals (Sweden)
K. Ide
2002-01-01
Full Text Available In this paper we develop analytical and numerical methods for finding special hyperbolic trajectories that govern geometry of Lagrangian structures in time-dependent vector fields. The vector fields (or velocity fields may have arbitrary time dependence and be realized only as data sets over finite time intervals, where space and time are discretized. While the notion of a hyperbolic trajectory is central to dynamical systems theory, much of the theoretical developments for Lagrangian transport proceed under the assumption that such a special hyperbolic trajectory exists. This brings in new mathematical issues that must be addressed in order for Lagrangian transport theory to be applicable in practice, i.e. how to determine whether or not such a trajectory exists and, if it does exist, how to identify it in a sequence of instantaneous velocity fields. We address these issues by developing the notion of a distinguished hyperbolic trajectory (DHT. We develop an existence criteria for certain classes of DHTs in general time-dependent velocity fields, based on the time evolution of Eulerian structures that are observed in individual instantaneous fields over the entire time interval of the data set. We demonstrate the concept of DHTs in inhomogeneous (or "forced" time-dependent linear systems and develop a theory and analytical formula for computing DHTs. Throughout this work the notion of linearization is very important. This is not surprising since hyperbolicity is a "linearized" notion. To extend the analytical formula to more general nonlinear time-dependent velocity fields, we develop a series of coordinate transforms including a type of linearization that is not typically used in dynamical systems theory. We refer to it as Eulerian linearization, which is related to the frame independence of DHTs, as opposed to the Lagrangian linearization, which is typical in dynamical systems theory, which is used in the computation of Lyapunov exponents. We
International Nuclear Information System (INIS)
Kim, Song Hyun; Woo, Myeong Hyun; Shin, Chang Ho; Pyeon, Cheol Ho
2015-01-01
In this study, a new balance equation to overcome the problems generated by the previous methods is proposed using source-based balance equation. And then, a simple problem is analyzed with the proposed method. In this study, a source-based balance equation with the time dependent fission kernel was derived to simplify the kinetics equation. To analyze the partial variations of reactor characteristics, two representative methods were introduced in previous studies; (1) quasi-statics method and (2) multipoint technique. The main idea of quasistatics method is to use a low-order approximation for large integration times. To realize the quasi-statics method, first, time dependent flux is separated into the shape and amplitude functions, and shape function is calculated. It is noted that the method has a good accuracy; however, it can be expensive as a calculation cost aspect because the shape function should be fully recalculated to obtain accurate results. To improve the calculation efficiency, multipoint method was proposed. The multipoint method is based on the classic kinetics equation with using Green's function to analyze the flight probability from region r' to r. Those previous methods have been used to analyze the reactor kinetics analysis; however, the previous methods can have some limitations. First, three group variables (r g , E g , t g ) should be considered to solve the time dependent balance equation. This leads a big limitation to apply large system problem with good accuracy. Second, the energy group neutrons should be used to analyze reactor kinetics problems. In time dependent problem, neutron energy distribution can be changed at different time. It can affect the change of the group cross section; therefore, it can lead the accuracy problem. Third, the neutrons in a space-time region continually affect the other space-time regions; however, it is not properly considered in the previous method. Using birth history of the neutron sources
Energy Technology Data Exchange (ETDEWEB)
Kim, Song Hyun; Woo, Myeong Hyun; Shin, Chang Ho [Hanyang University, Seoul (Korea, Republic of); Pyeon, Cheol Ho [Kyoto University, Osaka (Japan)
2015-10-15
In this study, a new balance equation to overcome the problems generated by the previous methods is proposed using source-based balance equation. And then, a simple problem is analyzed with the proposed method. In this study, a source-based balance equation with the time dependent fission kernel was derived to simplify the kinetics equation. To analyze the partial variations of reactor characteristics, two representative methods were introduced in previous studies; (1) quasi-statics method and (2) multipoint technique. The main idea of quasistatics method is to use a low-order approximation for large integration times. To realize the quasi-statics method, first, time dependent flux is separated into the shape and amplitude functions, and shape function is calculated. It is noted that the method has a good accuracy; however, it can be expensive as a calculation cost aspect because the shape function should be fully recalculated to obtain accurate results. To improve the calculation efficiency, multipoint method was proposed. The multipoint method is based on the classic kinetics equation with using Green's function to analyze the flight probability from region r' to r. Those previous methods have been used to analyze the reactor kinetics analysis; however, the previous methods can have some limitations. First, three group variables (r{sub g}, E{sub g}, t{sub g}) should be considered to solve the time dependent balance equation. This leads a big limitation to apply large system problem with good accuracy. Second, the energy group neutrons should be used to analyze reactor kinetics problems. In time dependent problem, neutron energy distribution can be changed at different time. It can affect the change of the group cross section; therefore, it can lead the accuracy problem. Third, the neutrons in a space-time region continually affect the other space-time regions; however, it is not properly considered in the previous method. Using birth history of the
TIMOC-ESP, Time-Dependent Response Function by Monte-Carlo with Interface to Program TIMOC-72
International Nuclear Information System (INIS)
Jaarsma, R.; Perlando, J.M.; Rief, H.
1981-01-01
1 - Description of problem or function: TIMOC-ESP is an 'Event Scanning Program' to analyse the events (collision or boundary crossing parameters) of Monte Carlo particle transport problems. It is a modular program and belongs to the TIMOC code system. Whilst TIMOC-72 deals with stationary problems, the time-dependence is dealt with in ESP. TIMOC-ESP is primarily designed to calculate the time-dependent response functions such as energy-dependent fluxes and currents at interfaces. 2 - Method of solution: The output of TIMOC-72 is transferred to TIMOC-ESP using a data set which acts as an interface between the two programs. Time dependent transport events are sampled at each crossing of any specified boundary in TIMOC. TIMOC-72 provides the parameters for ESP which are: - time of the event; - neutron weight; - cosine of the angle between the flight direction and the normal to the surface; - the indices of both regions; - the history number. Fundamentally, three time options are permitted by ESP, which give the current, the angular flux and the time-integrated flux functions between two specified regions. An eventual extension to other quantities is simple and straight- forward - ESP will accept input data for other options such as the calculation of the point flux, the collision density and the flux derived from this estimator, but the coding required for these calculations has yet to be implemented (1977). 3 - Restrictions on the complexity of the problem: The number of parameters must be between 5 and 50. The number of time intervals is at most 50
The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion
Energy Technology Data Exchange (ETDEWEB)
Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com
2015-08-15
We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.
Multi-scale simulations of droplets in generic time-dependent flows
Milan, Felix; Biferale, Luca; Sbragaglia, Mauro; Toschi, Federico
2017-11-01
We study the deformation and dynamics of droplets in time-dependent flows using a diffuse interface model for two immiscible fluids. The numerical simulations are at first benchmarked against analytical results of steady droplet deformation, and further extended to the more interesting case of time-dependent flows. The results of these time-dependent numerical simulations are compared against analytical models available in the literature, which assume the droplet shape to be an ellipsoid at all times, with time-dependent major and minor axis. In particular we investigate the time-dependent deformation of a confined droplet in an oscillating Couette flow for the entire capillary range until droplet break-up. In this way these multi component simulations prove to be a useful tool to establish from ``first principles'' the dynamics of droplets in complex flows involving multiple scales. European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No 642069. & European Research Council under the European Community's Seventh Framework Program, ERC Grant Agreement No 339032.
The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion
International Nuclear Information System (INIS)
Guo, Ran; Du, Jiulin
2015-01-01
We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution
Theoretical analysis of time-dependent neutron spectra in bulk assemblies
International Nuclear Information System (INIS)
Akimoto, Tadashi; Ogawa, Yuichi; Togawa, Orihiko.
1988-01-01
Time-dependent neutron spectra in an iron assembly and in a graphite assembly are obtained with the one-dimensional S N calculation, in order an attempt to investigate the availability of these spectra to the benchmark test by the LINAC-TOF method for evaluation of nuclear data and numerical methods. The group constants are taken from the JAERI FAST SET Version 1, 2 and the ABBN SET. It was demonstrated by a sensitivity test that the time-dependent neutron spectra are sensitive to changes in the inelastic scattering cross section data in the iron assembly and to changes in the elastic scattering cross section data in the graphite assembly. Moreover, it is shown that the time-dependent spectra in the graphite assembly are sensitive to the group structure. Because some information about the neutron transport phenomena which has not been obtained in the stationary spectra is observed in the time-dependent spectra, the availability of the benchmark test based on the time-dependent spectra is indicated from the theoretical analysis. (author)
Energy Technology Data Exchange (ETDEWEB)
Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)
2013-07-01
Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.
Energy Technology Data Exchange (ETDEWEB)
Song, Xiaowei; Fagiani, Matias R. [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany); Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstrasse 2, D-04103 Leipzig (Germany); Gewinner, Sandy; Schöllkopf, Wieland [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany); Asmis, Knut R., E-mail: knut.asmis@uni-leipzig.de, E-mail: js@chemie.hu-berlin.de [Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstrasse 2, D-04103 Leipzig (Germany); Bischoff, Florian A.; Berger, Fabian; Sauer, Joachim, E-mail: knut.asmis@uni-leipzig.de, E-mail: js@chemie.hu-berlin.de [Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, D-10099 Berlin (Germany)
2016-06-28
We use cryogenic ion trap vibrational spectroscopy in combination with quantum chemical calculations to study the structure of mono- and dialuminum oxide anions. The infrared photodissociation spectra of D{sub 2}-tagged AlO{sub 1-4}{sup −} and Al{sub 2}O{sub 3-6}{sup −} are measured in the region from 400 to 1200 cm{sup −1}. Structures are assigned based on a comparison to simulated harmonic and anharmonic IR spectra derived from electronic structure calculations. The monoaluminum anions contain an even number of electrons and exhibit an electronic closed-shell ground state. The Al{sub 2}O{sub 3-6}{sup −} anions are oxygen-centered radicals. As a result of a delicate balance between localization and delocalization of the unpaired electron, only the BHLYP functional is able to qualitatively describe the observed IR spectra of all species with the exception of AlO{sub 3}{sup −}. Terminal Al–O stretching modes are found between 1140 and 960 cm{sup −1}. Superoxo and peroxo stretching modes are found at higher (1120-1010 cm{sup −1}) and lower energies (850-570 cm{sup −1}), respectively. Four modes in-between 910 and 530 cm{sup −1} represent the IR fingerprint of the common structural motif of dialuminum oxide anions, an asymmetric four-member Al–(O){sub 2}–Al ring.
van Harrevelt, Rob; van Hemert, Marc C.
2000-04-01
A complete three-dimensional quantum mechanical description of the photodissociation of water in the B˜ band, starting from its rotational ground state, is presented. In order to include B˜-X˜ vibronic coupling and the B˜-Ã Renner-Teller coupling, diabatic electronic states have been constructed from adiabatic electronic states and matrix elements of the electronic angular momentum operators, following the procedure developed by A. J. Dobbyn and P. J. Knowles [Mol. Phys. 91, 1107 (1997)], using the ab initio results discussed in the preceding paper. The dynamics is studied using wave packet methods, and the evolution of the time-dependent wave function is discussed in detail. Results for the H2O and D2O absorption spectra, OH(A)/OH(X) and OD(A)/OD(X) branching ratios, and rovibrational distributions of the OH and OD fragments are presented and compared with available experimental data. The present theoretical results agree at least qualitatively with the experiments. The calculations show that the absorption spectrum and the product state distributions are strongly influenced by long-lived resonances on the adiabatic B˜ state. It is also shown that molecular rotation plays an important role in the photofragmentation process, due to both the Renner-Teller B˜-X˜ mixing, and the strong effect of out-of-plane molecular rotations (K>0) on the dynamics at near linear HOH and HHO geometries.
Sensitivity and uncertainty analysis for functionals of the time-dependent nuclide density field
International Nuclear Information System (INIS)
Williams, M.L.; Weisbin, C.R.
1978-04-01
An approach to extend the present ORNL sensitivity program to include functionals of the time-dependent nuclide density field is developed. An adjoint equation for the nuclide field was derived previously by using generalized perturbation theory; the present derivation makes use of a variational principle and results in the same equation. The physical significance of this equation is discussed and compared to that of the time-dependent neutron adjoint equation. Computational requirements for determining sensitivity profiles and uncertainties for functionals of the time-dependent nuclide density vector are developed within the framework of the existing FORSS system; in this way the current capability is significantly extended. The development, testing, and use of an adjoint version of the ORIGEN isotope generation and depletion code are documented. Finally, a sample calculation is given which estimates the uncertainty in the plutonium inventory at shutdown of a PWR due to assumed uncertainties in uranium and plutonium cross sections. 8 figures, 4 tables