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With the help of metadynamics it is possible to calculate efficiently the free energy of systems displaying high energy barriers as a function of few selected “collective variables”. In doing this, the contribution of all the other degrees of freedom (“microscopic” variables) is averaged out and, thus, lost. In the following it is shown that it is possible to calculate the thermal average of these microscopic degrees of freedom during the metadynamics, not loosing this piece of information. The method is tested on a two-dimensional toy system and on a small molecule, that is dialanine.  相似文献   

3.
We reconsider energy calculations of the spin polarized ν = 1/2 Chern-Simons theory. We show that one has to be careful in the definition of the Chern-Simons path integral in order to avoid an IR divergent magnetic ground state energy in RPA as in [J. Dietel et al, Eur. Phys. J. B 5, 439 (1998)]. We correct the path integral and get a well behaved magnetic energy by considering the energy of the maximal divergent graphs as well as the Hartree-Fock graphs. Furthermore, we consider the ν = 1/2 and the ν = 5/2 system with spin degrees of freedom. In doing this we formulate a Chern-Simons theory of the ν = 5/2 system by transforming the interaction operator to the next lower Landau level. We calculate the Coulomb energy of the spin polarized as well as the spin unpolarized ν = 1/2 and the ν = 5/2 system as a function of the interaction strength in RPA. These energies are in good agreement with numerical simulations of interacting electrons in the first as well as in the second Landau level. Furthermore, we calculate the compressibility, the effective mass and the excitations of the spin polarized ν = 2 + 1/ systems where is an even number. Received 13 June 2000  相似文献   

4.
We study by theoretical analysis and by direct numerical simulation the dynamics of a wide class of asynchronous stochastic systems composed of many autocatalytic degrees of freedom. We describe the generic emergence of truncated power laws in the size distribution of their individual elements. The exponents α of these power laws are time independent and depend only on the way the elements with very small values are treated. These truncated power laws determine the collective time evolution of the system. In particular the global stochastic fluctuations of the system differ from the normal Gaussian noise according to the time and size scales at which these fluctuations are considered. We describe the ranges in which these fluctuations are parameterized respectively by: the Lévy regime α < 2, the power law decay with large exponent ( α > 2), and the exponential decay. Finally we relate these results to the large exponent power laws found in the actual behavior of the stock markets and to the exponential cut-off detected in certain recent measurement. Received 29 July 2000 and Received in final form 25 September 2000  相似文献   

5.
We investigate the quantum-mechanical tunneling between the “patterns" of the, so-called, associative neural networks. Being the relatively stable minima of the “configuration-energy" space of the networks, the “patterns" represent the macroscopically distinguishable states of the neural nets. Therefore, the tunneling represents a macroscopic quantum effect, but with some special characteristics. Particularly, we investigate the tunneling between the minima of approximately equal depth, thus requiring no energy exchange. If there are at least a few such minima, the tunneling represents a sort of the “random walk" process, which implies the quantum fluctuations in the system, and therefore “malfunctioning" in the information processing of the nets. Due to the finite number of the minima, the “random walk" reduces to a dynamics modeled by the, so-called, Pauli master equation. With some plausible assumptions, the set(s) of the Pauli master equations can be analytically solved. This way comes the main result of this paper: the quantum fluctuations due to the quantum-mechanical tunneling can be “minimized" if the “pattern"-formation is such that there are mutually “distant" groups of the “patterns", thus providing the “zone" structure of the “pattern" formation. This qualitative result can be considered as a basis of the efficient deterministic functioning of the associative neural nets. Received 15 July 1999  相似文献   

6.
In a weakly disordered metal electron interactions are responsible for both decoherence of the quasi-particles as well as for quantum corrections to thermodynamic properties. We consider electrons which are interacting with two-level-systems. We show that the two-level-systems enhance the average equilibrium (“persistent”) current in an ensemble of mesoscopic rings. The result supports the recent suggestion that two puzzles in mesoscopic physics may be related: The low temperature saturation of the dephasing time and the high persistent current in rings. Received 26 May 2000  相似文献   

7.
Within mean field approximation, a procedure is elaborated to consider noise induced phase transitions with arbitrary relations between the noises of different degrees of freedom. The proposed approach is applied to investigate effects of cross correlation between noises in the generalized synergetic model of Lorenz type. This cross correlation is shown to induce phase transitions of the dynamical system under consideration. Additionally, we find the correlation between noises transforms a synergetic behavior to a thermodynamic one. Received 13 November 2002 Published online 11 April 2003 RID="a" ID="a"e-mail: dikh@sumdu.edu.ua  相似文献   

8.
Using simple scaling arguments and two-dimensional numerical simulations of a granular gas excited by vibrating one of the container boundaries, we study a double limit of small 1-r and large L, where r is the restitution coefficient and L the size of the container. We show that if the particle density n0 and (1-r2)(n0 Ld) where d is the particle diameter, are kept constant and small enough, the granular temperature, i.e. the mean value of the kinetic energy per particle, 〈E 〉/N, tends to a constant whereas the mean dissipated power per particle, 〈D 〉/N, decreases like when N increases, provided that (1-r2)(n0 Ld)2 < 1. The relative fluctuations of E, D and the power injected by the moving boundary, I, have simple properties in that regime. In addition, the granular temperature can be determined from the fluctuations of the power I(t) injected by the moving boundary.  相似文献   

9.
Twist-storing polymers respond with elastic energy penalty to coherent or random twisting along the local chain axis away from its equilibrium, which can be straight (as in “ribbons”) or helical (as in DNA and other biopolymers). Here we study the equilibrium conformation of such polymers, focusing on the thermodynamic balance between twist and writhe, resulting from the competition between the random coil entropy and the potential energy stored in superhelical portions of the polymer chain. Two macroscopic variables characterise such a chain, the end-to-end distance R and the link number Lk, which is a topological invariant of a given polymer with clamped ends. We find that with increasing link number Lk, the chain accommodates its excess twist in growing plectonemes, unless forced out of this state by stretching its end-to-end distance R. We calculate the force-extension relation, which exhibits crossovers between different deformation regimes. Received 16 November 2000 and Received in final form 6 February 2001  相似文献   

10.
A simple lattice model based on generalised diffusion equations and Gaussian statistics, aimed at describing diffusive translational and rotational motions, is presented. It is shown that it allows the generation of correlation functions relevant to spectroscopic techniques that are very similar to those experimentally observed in a large variety of complex systems. For some ranges of values of the model parameters, these functions, which can be expressed in closed mathematical forms, can be approximately represented by the sum of two exponentials or by “stretched" exponentials. Received 17 September 1999 and Received in final form 10 February 2000  相似文献   

11.
The elastic theory of quasicrystals considers, in addition to the “normal” displacement field, three “phason” degrees of freedom. We present an approximative solution for the elastic Green's function of icosahedral quasicrystals, assuming that the coupling between the phonons and phasons is small. Received: 18 December 1997 / Accepted: 6 March 1998  相似文献   

12.
We examine a model of biological evolution of Eigen's quasispecies in a so-called holey fitness landscape, where the fitness of a site is either 0 (lethal site) or a uniform positive constant (viable site). The evolution dynamics is therefore determined by the topology of the genome space which is modelled by the random Bethe lattice. We use the effective medium and single-defect approximations to find the criteria under which the localized quasispecies cloud is created. We find that shorter genomes, which are more robust to random mutations than average, represent a selective advantage which we call “topological”. A way of assessing empirically the relative importance of reproductive success and topological advantage is suggested. Received 9 August 2002 / Received in final form 7 November 2002 Published online 14 February 2003 RID="a" ID="a"e-mail: slanina@fzu.cz  相似文献   

13.
In order to study the effect of the α,β crystalline structure of polypropylene (PP) on its mechanical properties, it is necessary to prepare samples with variable α/β-phase content but with constant crystallinity and constant spherulite size. With this objective, heat treatment was first defined to be applied to an isotactic PP containing a β nucleating agent in order to achieve these conditions. Then study of the effect of the β-phase content on the tensile properties and fracture behaviour has been done at room temperature. The mechanical properties at fracture were assessed by three-point bending tests and were analysed on the basis of the “Essential Work of Fracture” (EWF). The results show that the elongation at fracture under tensile stress and the “near” Plane-Strain Essential Work of Fracture, w Ie, increase substantially with the β-phase content. Besides, Young's modulus and the yield stress in tensile tests decrease slowly with the β-phase content. Finally, these results are analysed taking account the differences in structure of the α and β spherulites. Received 18 September 2000 and Received in final form 19 December 2000  相似文献   

14.
We study the temporal and spatial correlations in a one-dimensional model of a heterogeneous fault zone, in the presence of viscoelastic effects. As a function of dynamical weakening and of dissipation, the system exhibits three different “phases": one in which there are no time correlations between the events, a second, in which there are “Omori's law” type temporal correlations, and a third, runaway phase with quasiperiodic system size events. Received 30 May 2000 and Received in final form 7 September 2000  相似文献   

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Following almost a century of debate on possible “independent of measurement" elements of reality, or “induced" elements of reality - originally invoked as an ad-hoc collapse postulate, we propose a novel line of interference experiments which may be able to examine the regime of induced elements of reality. At the basis of the proposed experiment, lies the hypothesis that models of “induced" elements of reality should exhibit symmetry breaking within quantum evolution. The described symmetry experiment is thus aimed at being able to detect and resolve spatial symmetry breaking signatures. The proposed experiment stands at the edge of present day technological abilities and will be, so we believe, realizable in the near future. Received 2 December 1999 and Received in final form 6 April 2000  相似文献   

17.
Developing a renormalization group approach, we study the hopping conductivity of nanocrystalline chains with different site energies. Exact calculations show that many parameters including nano-sizes, randomness of grain distributions, lattice distortions, site energies, transition rates, Fermi energy, and temperature influence the conductivity. Some new singular features, for example the frequency shift, the amplitude fluctuations, and the interchange between “peak” and “valley” behavior of the imaginary part of the conductivity can be caused by certain parameters mentioned above, while the interface distortions modulate mainly the overall amplitudes of the conductivity at the whole frequency region. Received 13 January 2000 and Received in final form 12 September 2000  相似文献   

18.
Thermal convection in a rotating layer of a magnetic fluid   总被引:1,自引:0,他引:1  
We consider Brownian particles with the ability to take up energy from the environment, to store it in an internal depot, and to convert internal energy into kinetic energy of motion. Provided a supercritical supply of energy, these particles are able to move in a “high velocity” or active mode, which allows them to move also against the gradient of an external potential. We investigate the critical energetic conditions of this self-driven motion for the case of a linear potential and a ratchet potential. In the latter case, we are able to find two different critical conversion rates for the internal energy, which describe the onset of a directed net current into the two different directions. The results of computer simulations are confirmed by analytical expressions for the critical parameters and the average velocity of the net current. Further, we investigate the influence of the asymmetry of the ratchet potential on the net current and estimate a critical value for the asymmetry in order to obtain a positive or negative net current. Received 20 September 1999  相似文献   

19.
We report a study of transverse laser cooling on a metastable helium beam using spectrally broadened diode lasers (“white light") to increase its flux. For this purpose, beam profile and atomic flux versus laser power and other parameters have been characterized. We have performed experiments to compare this technique with other transverse cooling methods using monochromatic light. Best results are obtained with a “ziz-zag" configuration using “white light". Received 21 December 1998 and Received in final form 27 May 1999  相似文献   

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