H2BO在位能面上重排和离解过程的量化研究

用量子化学从头算方法研究H₂BO分子的稳定结构、异构化反应和脱氢反应及其热力学性质,较完整地阐述了H₂BO在位能面上的重排和离解过程,用UHF/3-21G和MP₂/3-21G优化了稳定构型和寻找过渡态。     

电致失效力学

电致失效力学研究单调或交变电场载荷下由应力引起的失效行为,它包含了电致断裂、电致疲劳、电致迁移与电致损伤等新研究课题．本文概述了电致失效力学的领域与课题,并深入讨论了电致应变诱导断裂疲劳的机理及电迁移损伤的力电耦合过程．研究结果表明,电致失效力学可提供铁电陶瓷致动器和集成电路的若干关键设计参数．对铁电陶瓷多层共烧致动器,该分析提供其层厚、外加电场强度和交变电场循环周数．对集成电路内导线,该分析提供其允许电流密度和临界线长．      

Structure and size distribution of percolating clusters. Comparison with gelling systems

Dynamic properties of Brownian particles immersed in a periodic potential with two barriers V₁ and V₂ (symmetric bistable potential) are studied by using the Fokker-Planck equation which we solve numerically by the matrix continued fraction method. This study will therefore serve to demonstrate the influence of this form of potential, which is of great interest for superionic conductors and for many other solid systems, on the diffusion process. Thus, we have calculated the full width at half maximum (FWHM) ) of the quasi-elastic line of the dynamic structure factor, for a large range of values of the wave-vectors q. Our results show clearly that, by varying the ratio of the barriers strictly between and 1, the Fokker-Planck equation describes a diffusive process which has some characteristic of jump and liquid-like regimes. While in the limit cases, i.e. when tends to or 1, the diffusion process can be described only by a simple jump motion. However, the jump-lengths corresponding to each limit case are not equal. In general the change of the ratio is found to have a significant effect on the character of the diffusive motion. We have also performed Fokker-Planck dynamics calculations of the diffusion coefficient in a bistable potential. We have found a good agreement between numerical calculations and analytical approximation results obtained in the high friction limit. Received 25 May 1998 and Received in final form 15 November 1998     

Dissipation, decoherence and preparation effects in the spin-boson system

The dynamics of the reduced density matrix of the driven dissipative two-state system is studied for a general diagonal/off-diagonal initial state. We derive exact formal series expressions for the populations and coherences and show that they can be cast into the form of coupled nonconvolutive exact master equations and integral relations. We show that neither the asymptotic distributions, nor the transition temperature between coherent and incoherent motion, nor the dephasing rate and relaxation rate towards the equilibrium state depend on the particular initial state chosen. However, in the underdamped regime, effects of the particular initial preparation, e.g. in an off-diagonal state of the density matrix, strongly affect the transient dynamics. We find that an appropriately tuned external ac-field can slow down decoherence and thus allow preparation effects to persist for longer times than in the absence of driving. Received 23 October 1998 and Received in final form 26 February 1999     

Extremal coupled map lattices

Multifractal critical phenomena with infinite-temperature critical point and with complex coexistence of the infinite and finite temperature critical points are considered and it is shown that strange attractors generated by cascades of period-doubling bifurcations (Feigenbaum scenario) as well as fields of velocity differences in fluid turbulence belong to the former subclass of the multifractal critical phenomena, while the real traffic processes and real currency exchange processes belong to the last (complex) subclass of the multifractal critical phenomena. Data obtained by different authors are used for this purpose. Received 5 February 1999     

Influence of the soliton in anharmonic molecular crystals with temperature on Mössbauer effect

The influence of a soliton on the properties of the M?ssbauer effect resulting from the gamma-active nuclei situated at lattice sites in quasi-one-dimensional anharmonically organic molecular chains, in which the active nuclei emit gamma-photons, has been theoretically studied by a quantum vibrational model. An expression for the gamma-radiated M?ssbauer transition probability as a function of the temperature and non-linear interaction has been obtained. Finally we give some new properties of this effect from numerical calculation in such a case, which present a way to experimentally confirm the soliton existence in molecular crystals. Received 9 April 1998 and Received in final form 11 December 1998     

Saturation spectroscopy of the A-X transition of the ICl molecule

We describe the first saturation spectroscopy experiment concerning the A-X transition of ICl with considerably better resolution than previous works. Form our data, improved constants for the hyperfine structure of the excited state are determined. The A-X transition of ICl could be used to develop a set of secondary frequency standards and its metrologic qualities are discussed. Received: 27 July 1998 / Received in final form: 30 November 1998     

Positive and negative Hanbury-Brown and Twiss correlations in normal metal-superconducting devices

In the light of the recent analogs of the Hanbury-Brown and Twiss experiments [1] in mesoscopic beam splitters, negative current noise correlations are recalled to be the consequence of an exclusion principle. Here, positive (bosonic) correlations are shown to exist in a fermionic system, composed of a superconductor connected to two normal reservoirs. In the Andreev regime, the correlations can either be positive or negative depending on the reflection coefficient of the beam splitter. For biases beyond the gap, the transmission of quasiparticles favors fermionic correlations. The presence of disorder enhances positive noise correlations. Potential experimental applications are discussed. Received 1 June 1999     

Visualizing the log-periodic pattern before crashes

We present a method for visualizing the pattern which we believe to be a precursor signature of financial crashes (or ruptures). The log-periodicity of the pattern is investigated through the envelope function technique. Three periods of the Dow Jones Industrial Average (DJIA) are investigated: 1982-1987, 1992-1997 and 1993-1998. The presence of a rupture in the end of 1998 is outlined from data taken before the end of August 1998. Received 15 October 1998 and Received in final form 19 November 1998     

Two interacting particles in a disordered chain IV: Scaling of level curvatures

The curvatures of two-particle energy levels with respect to the enclosed magnetic flux in mesoscopic disordered rings are investigated numerically. We find that the typical value of the curvatures is increased by interactions in the localised regime and decreased in the metallic regime. This confirms a prediction by Akkermans and Pichard (Eur. Phys. J. B 1, 223 (1998)). The interaction-induced changes of the typical curvatures at different energies and disorder strengths exhibit one-parameter scaling with a conductance-like single parameter. This suggests that interactions could influence the conductance of mesoscopic systems similarly. Received 24 August 1998