Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems

A new continuous configuration time-dependent self-consistent field method has been developed to study polyatomic dynamical problems by using the discrete variable representation for the reaction system, and applied to a reaction system coupled to a bath. The method is very efficient because the equations involved are as simple as those in the traditional single configuration approach, and can account for the correlations between the reaction system and bath modes rather well. (C) American Institute of Physics.

Direct dynamical test for deterministic chaos and optimal embedding of a chaotic time-series

We propose here a local exponential divergence plot which is capable of providing an alternative means of characterizing a complex time series. The suggested plot defines a time-dependent exponent and a ''plus'' exponent. Based on their changes with the embedding dimension and delay time, a criterion for estimating simultaneously the minimal acceptable embedding dimension, the proper delay time, and the largest Lyapunov exponent has been obtained. When redefining the time-dependent exponent LAMBDA(k) curves on a series of shells, we have found that whether a linear envelope to the LAMBDA(k) curves exists can serve as a direct dynamical method of distinguishing chaos from noise.

Local exponential divergence plot and optimal embedding of a chaotic time-series

we propose here a local exponential divergence plot which is capable of providing a new means of characterizing chaotic time series. The suggested plot defines a time dependent exponent LAMBDA and a ''plus'' exponent LAMBDA+ which serves as a criterion for estimating simultaneously the minimal acceptable embedding dimension, the proper delay time and the largest Lyapunov exponent.

Single attosecond pulse generation using two-color polarized time-gating technique

It is proposed that single attosecond pulses be generated via high-order harmonic generation by using a two-color pump pulse with time dependent ellipticity. The two-color pump pulse is created by the fundamental field and its second harmonic: the fundamental field is left-circularly polarized and the second harmonic is right-circularly polarized. Numerical simulations show that single attosecond pulses can be produced in the cut-off region by using the synthesis of 20 fs left-hand and right-hand circularly polarized pulses with a pulse delay of 20 fs. The attosecond pulses produced this way are much stronger than that produced by a few-cycle linear polarized pulse of comparable intensity. (c) 2005 Optical Society of America

Stress within the postseizure time window inhibits seizure recurrence

Recurrence is a key characteristic in the development of epilepsy. It remains unclear whether seizure recurrence is sensitive to postseizure stress. Here, tonic-clonic seizures were induced with a convulsive dose of pentylenetetrazole (PTZ), and acute seizure recurrence was evoked with a subconvulsive dose of the drug. We found that stress inhibited seizure recurrence when applied 30 minutes or 2 hours, but not 4 hours, after the tonic-clonic seizure. The time-dependent anti-recurrence effect of stress was mimicked by the stress hormone corticosterone and blocked by co-administration of mineralocorticoid and glucocorticoid receptor antagonists. Furthermore, in a PTZ-induced epileptic kindling model, corticosterone administered 30 minutes after each seizure decreased the extent of seizures both during the kindling establishment and in the following challenge test. These results provide novel insights into both the mechanisms of and therapeutic strategies for epilepsy. (C) 2010 Elsevier Inc. All rights reserved.

Dynamics of spin-dependent tunneling through a semiconductor double-barrier structure

The dynamics of spin-dependent tunneling through a nonmagnetic semiconductor double-barrier structure is studied including the k(3) Dresselhaus spin orbit coupling is solved by the time-dependent Schrodinger equation with a developed method for the finite-difference relaxation. The resonant peak and quasibound level lifetime are determined by the in-plane wave vector and the applied electric field. The buildup time and decay lifetime of resonant probability amplitude are different for the spin-down and spin-up electrons due to the Dresselhaus spin-orbit coupling. Further investigation shows that the steady spin-polarization in both the well and collector regions has been obtained in the time domain. (C) 2007 American Institute of Physics.

A time-varying controllable fault-tolerant field associative memory model and its simulation

A time-varying controllable fault-tolerant field associative memory model and the realization algorithms are proposed. On the one hand, this model simulates the time-dependent changeability character of the fault-tolerant field of human brain's associative memory. On the other hand, fault-tolerant fields of the memory samples of the model can be controlled, and we can design proper fault-tolerant fields for memory samples at different time according to the essentiality of memory samples. Moreover, the model has realized the nonlinear association of infinite value pattern from n dimension space to m dimension space. And the fault-tolerant fields of the memory samples are full of the whole real space R-n. The simulation shows that the model has the above characters and the speed of associative memory about the model is faster.

The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study

The quantum yield, lifetime, and absorption spectrum of four [Ru(bpy)(2)L](+) [where bpy is 2,2'-bipyridyl; L is represented by the deprotonated form of 2-(1H-tetrazol-5-yl)pyridine (L1) or 2-(1H-tetrazol-5-yl)pyrazine (L2)], as well as their methylated complexes [Ru(bpy)(2)LMe](2+) (RuL1Me and RuL2Me) are closely ligand dependent. In this paper, density functional theory (DFT) and time-dependent DFT (TDDFT) were performed to compare the above properties among these complexes. The calculated results reveal that the replacement of pyridine by pyrazine or the attachment of a CH3 group to the tetrazolate ring greatly increases the pi-accepting ability of the ancillary ligands.

State Vector: A New Approach to Prediction of the Failure of Brittle Heterogeneous Media and Large Earthquakes

The concept of state vector stems from statistical physics, where it is usually used to describe activity patterns of a physical field in its manner of coarsegrain. In this paper, we propose an approach by which the state vector was applied to describe quantitatively the damage evolution of the brittle heterogeneous systems, and some interesting results are presented, i.e., prior to the macro-fracture of rock specimens and occurrence of a strong earthquake, evolutions of the four relevant scalars time series derived from the state vectors changed anomalously. As retrospective studies, some prominent large earthquakes occurred in the Chinese Mainland (e.g., the M 7.4 Haicheng earthquake on February 4, 1975, and the M 7.8 Tangshan earthquake on July 28, 1976, etc) were investigated. Results show considerable promise that the time-dependent state vectors could serve as a kind of precursor to predict earthquakes.

A Numerical Model of Rapid Solidification Processing of Ni-Al Alloy in Planar Flow Casting

A numerical model has been developed for simulating the rapid solidification processing (RSP) of Ni-Al alloy in order to predict the resultant phase composition semi-quantitatively during RSP. The present model couples the initial nucleation temperature evaluating method based on the time dependent nucleation theory, and solidified volume fraction calculation model based on the kinetics model of dendrite growth in undercooled melt. This model has been applied to predict the cooling curve and the volume fraction of solidified phases of Ni-Al alloy in planar flow casting. The numerical results agree with the experimental results semi-quantitatively.

Instability of Two-Layer Rayleigh-Benard Convection with Interfacial Thermocapillary Effect

The linear instability analysis of the Rayleigh-Allarangoni-Benard convection in a two-layer system of silicon oil 10cS and fluorinert FC70 liquids are performed in a larger range of two-layer depth ratios H, from 0.2 to 5.0 for different total depth H less than or equal to 12 mm. Our results are different from the previous study on the Rayleigh-Benard instability and show strong effects of thermocapillary force at the interface on the time-dependent oscillations arising from the onset of instability convection.

Oscillatory instability of Rayleigh-Marangoni-Bénard convection in two-layer liquid systems

The oscillatory behaviour of the Rayleigh-Marangoni-Bénard convective instability (R-M-B instability) regarding two combinations of two-layer fluid systems has been investigated theoretically and numerically. For the two-layer system of Silicone oil (10cSt) over Fluorinert (FC70), both linear instability analysis and 2D numerical simulation show that the instability of the system depends strongly on the depth ratio Hr = H1/H2 of the two-layer liquid. The oscillatory regime at the onset of R-M-B convection enlarges with reducing Γ = Ra/Ma values. In the two-layer system of Silicone oil (2cSt) over water, it loses its stability and onsets to steady convection at first, then the steady convection bifurcates to oscillatory convection with increasing Rayleigh number Ra. This behaviour was found through numerical simulation above the onset of steady convection in the case of r = 2.9, ε=(Ra-Ruc)/Rac = 1.0, and Hr = 0.5. Our findings are different from the previous study of the Rayleigh-Benard instability and show the strong effects of the thermocapillary force at the interface on the time-dependent oscillations at or after the onset of convection. We propose a secondary oscillatory instability mechanism to explain the experimental observation of Degen et al. [Phys. Rev. E, 57 (1998), 6647-6659].

Oscillatory Instabilities of Two-Layer Rayleigh-Marangoni-Benard Convection

The Rayleigh–Marangoni–Bénard convective instability (R–M–B instability) in the two-layer systems such as Silicone oil (10cSt)/Fluorinert (FC70) and Silicone oil (2cSt)/water liquids are studied. Both linear instability analysis and nonlinear instability analysis (2D numerical simulation) were performed to study the influence of thermocapillary force on the convective instability of the two-layer system. The results show the strong effects of thermocapillary force at the interface on the time-dependent oscillations at the onset of instability convection. The secondary instability phenomenon found in the real two-layer system of Silicone oil over water could explain the difference in the comparison of the Degen’s experimental observation with the previous linear stability analysis results of Renardy et al.

Moment Tensor Analysis of the Acoustic Emission Source in the Rock Damage Process

To further investigate the mechanism of acoustic emission (AE) in the rock fracture experiment, moment tensor analysis was carried out. The AE sources characterized by crack sizes, orientations and fracture modes, are represented by a time-dependent momen