Experimental modeling of physical laws

A physical law is represented by the probability distribution of a measured variable. The probability density is described by measured data using an estimator whose kernel is the instrument scattering function. The experimental information and data redundancy are defined in terms of information entropy. The model cost function, comprised of data redundancy and estimation error, is minimized by the creation-annihilation process. Received 24 February 2000 and Received in final form 21 February 2001     

A qualitative model for the growth mechanism of silver clusters in polymer solution

A simple and high-reproducible method for the synthesis of polymer-protected silver cluster of controlled size is described. UV-visible spectroscopy has been used for investigating the influence of the aging of the protective poly(vinylpyrrolidone) layer on the cluster growth rate at different reaction temperatures and poly(vinylpyrrolidone)/ethylene glycol weight ratios. The obtained results show that the aging time of the polymeric stabilizer solution plays a fundamental role in the reproducibility of the cluster growth process. A model for the metal cluster formation-grow process is also proposed. Received 18 July 2001 and Received in final form 3 October 2001     

Monte-Carlo simulation of transient gel formation and break-up during reversible aggregation

Monte-Carlo simulations of reversible aggregation on a cubic lattice were done by introducing a finite probability (P) of nearest neighbours to form a bond. Depending on the volume fraction of occupied sites (φ) and P we observed different phenomena by monitoring as a function of time the space filling and the distribution of the aggregates and the gel fraction. At smaller values of P the system develops into an equilibrium distribution of aggregates of which the average size increases with increasing φ until above a critical value the system percolates. At larger values of P the system phase separates into two phases with different densities. Above a critical value of φ the system percolates during a finite time. The life time of the gel and the maximum gel fraction were studied as a function of P. Received 1st March 2001 and Received in final form 24 April 2001     

Coupled aggregation and sedimentation processes: Three-dimensional off-lattice simulations

Coupled aggregation and sedimentation processes were studied by means of three-dimensional computer simulations. For this purpose, a large prism with no periodic boundary conditions for the sedimentation direction was considered. Furthermore, three equally sized and mutually excluded regions were defined inside the prism, a top, a middle and a bottom region. This allows to study the time evolution of the cluster size distribution and the cluster structure separately for each region. The mass distribution profile and the center-of-mass position were also accessed as a function of time. For the bottom region, the effects of the sediment formation on the kinetics of growth and on the cluster structure were clearly observed. The obtained results not only agree with the experimental data obtained by Allain et al. (C. Allain, M. Cloitre, M. Wafra, Phys. Rev. Lett. 74, 1478 (1995)) and with the simulations made by Gonzalez (A.E. Gonzalez, Phys. Rev. Lett. 86, 1243 (2001)), but also allow to gain further insight into the details. Received 7 November 2001     

Fractal aggregates induced by liposome-liposome interaction in the presence of Ca2+

We present a study of the fractal dimension of clusters of large unilamellar vesicles (LUVs) formed by egg yolk phosphatidylcholine (EYPC), dimyristoylphosphocholine (DMPC) and dipalmitoylphosphocholine (DPPC) induced by Ca²⁺ . Fractal dimensions were calculated by application of two methods, measuring the angular dependency of the light scattered by the clusters and following the evolution of the cluster size. In all cases, the fractal dimensions fell in the range from 2.1 to 1.8, corresponding to two regimes: diffusion-limited cluster aggregation (DLCA) and reaction-limited cluster aggregation (RLCA). Whereas DMPC clusters showed a typical transition from the RLCA to the DLCA aggregation, EYPC exhibited an unusual behaviour, since the aggregation was limited for a higher concentration than the critical aggregation concentration. The behaviour of DPPC was intermediate, with a transition from the RLCA to the DLCA regimes with cluster sizes depending on Ca²⁺ concentration. Studies on the reversibility of the aggregates show that EYPC and DPPC clusters can be re-dispersed by dilution with water. DMPC does not present reversibility. Reversibility is evidence of the existence of secondary minima in the DLVO potential between two liposomes. To predict these secondary minima, a correction of the DLVO model was necessary taking into account a repulsive force of hydration.     

Nonlinear diffusion under a time dependent external force: q-maximum entropy solutions

Nonlinear diffusion equations provide useful models for a number of interesting phenomena, such as diffusion processes in porous media. We study here a family of nonlinear Fokker-Planck equations endowed both with a power-law nonlinear diffusion term and a drift term with a time dependent force linear in the spatial variable. We show that these partial differential equations exhibit exact time dependent particular solutions of the Tsallis maximum entropy (q-MaxEnt) form. These results constitute generalizations of previous ones recently discussed in the literature [C. Tsallis, D.J. Bukman, Phys. Rev. E 54, R2197 (1996)], concerning q-MaxEnt solutions to nonlinear Fokker-Planck equations with linear, time independent drift forces. We also show that the present formalism can be used to generate approximate q-MaxEnt solutions for nonlinear Fokker-Planck equations with time independent drift forces characterized by a general spatial dependence. Received 25 April 2001 and Received in final form 6 June 2001     

Exact propagator of the Fokker-Planck equation with a space-dependent diffusion coefficient and a time-dependent mean-reverting force

We have investigated the algebraic structure of the Fokker-Planck equation with a variable diffusion coefficient and a time-dependent mean-reverting force. Such a model could be useful to study the general problem of a Brownian walker with a space-dependent diffusion coefficient. We also show that this model is related to the Fokker-Planck equation with a constant diffusion coefficient and a time-dependent anharmonic potential of the form V(x, t) = ?a(t)x ² + b ln x, which has been widely applied to model different physical and biological phenomena, e.g. the study of neuron models and stochastic resonance in monostable nonlinear oscillators. Using the Lie algebraic approach we have derived the exact diffusion propagators for the Fokker-Planck equations associated with different boundary conditions, namely (i) the case of a single absorbing barrier, and (ii) the case of two absorbing barriers. These exact diffusion propagators enable us to study the time evolution of the corresponding stochastic systems. Received 23 October 2001 and Received in final form 24 December 2001     

Election results and the Sznajd model on Barabasi network

The network of Barabasi and Albert, a preferential growth model where a new node is linked to the old ones with a probability proportional to their connectivity, is applied to Brazilian election results. The application of the Sznajd rule, that only agreeing pairs of people can convince their neighbours, gives a vote distribution in good agreement with reality Received 19 September 2001 and Received in final form 2 November 2001     

Control of island morphology by dynamic coalescence of soft-landed clusters

The deposition of preformed clusters on surfaces has been established as a new way for growing nano-suctures on surfaces. It has been shown that supported island morphology relies on the dynamics of clusters, during the growth, giving rise to shapes from compact to ramified types. This paper identifies and discusses, in the case of antimony cluster deposits, several processes responsible for the non-equilibrium island shapes: limited kinetic cluster aggregation, size dependent coalescence, “wetting-like behavior” of antimony clusters on antimony islands. Using successive predetermined cluster sizes during the deposition process to synthesize polymorphic structure involves the interplay of those mechanisms. Received 1st December 2000     

Herd formation and information transmission in a population: non-universal behaviour

We present generalized dynamical models describing the sharing of information, and the corresponding herd behavior, in a population based on the recent model proposed by Eguıluz and Zimmermann (EZ) [Phys. Rev. Lett. 85, 5659 (2000)]. The EZ model, which is a dynamical version of the herd formation model of Cont and Bouchaud (CB), gives a reasonable model for the formation of clusters of agents and for actions taken by clusters of agents. Both the EZ and CB models give a cluster size distribution characterized by a power law with an exponent -5/2. By introducing a size-dependent probability for dissociation of a cluster of agents, we show that the exponent characterizing the cluster size distribution becomes model-dependent and non-universal, with an exponential cutoff for large cluster sizes. The actions taken by the clusters of agents generate the price returns, the distribution of which is also characterized by a model-dependent exponent. When a size-dependent transaction rate is introduced instead of a size-dependent dissociation rate, it is found that the distribution of price returns is characterized by a model-dependent exponent while the exponent for the cluster-size distribution remains unchanged. The resulting systems provide simplified models of a financial market and yield power law behaviour with an easily tunable exponent. Received 31 December 2001     

Unsupported lead clusters and electron diffraction

A beam of Pb clusters is produced with the inert gas aggregation method and probed by electron diffraction. Analysis of the diffraction patterns indicates that average cluster size can vary between 3 and 7 nm, according to nucleation conditions. The diffraction patterns from beams with larger average cluster size are very similar to patterns calculated from model decahedron clusters, while those for smaller cluster size do not appear to have simple geometrical face-centred cubic, decahedral, or icosahedral structure. Received 30 November 2000     

Simulation study of lateral diffusion in lipid-sterol bilayer mixtures

We employ off-lattice Monte Carlo simulations to study lateral diffusion in lipid-sterol bilayers using a two-dimensional model system which has been designed to simulate the experimental phase diagrams of both lipid-cholesterol and lipid-lanosterol systems. We focus on the effects of varying sterol concentration and temperature on the tracer diffusion coefficient, D, which characterizes the lateral motion of single tagged lipids in a bilayer. Generally, we find that increasing the cholesterol concentration suppresses D due to an increased conformational ordering of lipid chains. We argue that this effect competes with an increase in the average free area per lipid, which favours an increase in D. At temperatures close to the main transition temperature, the competition between the two effects leads to intriguing behavior of D. Overall, the model results are in excellent qualitative agreement with available experimental results for lipid-cholesterol mixtures. Additional studies of a model lipid-lanosterol system, for which experimental diffusion results are not available, predict that the presence of lanosterol has a smaller effect than cholesterol on reducing D relative to the pure lipid system. We conclude that the molecular model employed contains the essential features required to describe many of the qualitative features of the lateral diffusion behavior in lipid-sterol systems. Received 24 November 2000 and Received in final form 30 April 2001     

Reaction dynamics of synthesis of superheavy elements

Based on the theory of the compound nucleus reaction, a brief review is given on the special aspects of the reaction dynamics in the synthesis of the superheavy elements (SHE), where the fusion probability is the most unknown factor. A new viewpoint of the fusion reaction is proposed that it consists of two processes; the first process up to the contact of two nuclei of the incident channel and the second one of a dynamical evolution to the spherical compound nucleus from the contact configuration. The fusion probability is, thus, given as a product of a contact probability and a formation probability. Analytic studies of the latter probability are discussed in the one-dimensional model, where a simple expression is given to the so-called extra-push energy in terms of the reduced friction, the curvature parameter of the conditional saddle point and the nuclear temperature. Preliminary results of numerical analyses of the contact probability are given, using the surface friction model (SFM). Remarks are given on the present status of our knowledge and for future developments. Received: 1 May 2001 / Accepted: 4 December 2001     

Computational leakage: Grover's algorithm with imperfections

We study the effects of dissipation or leakage on the time evolution of Grover's algorithm for a quantum computer. We introduce an effective two-level model with dissipation and randomness (imperfections), which is based upon the idea that ideal Grover's algorithm operates in a 2-dimensional Hilbert space. The simulation results of this model and Grover's algorithm with imperfections are compared, and it is found that they are in good agreement for appropriately tuned parameters. It turns out that the main features of Grover's algorithm with imperfections can be understood in terms of two basic mechanisms, namely, a diffusion of probability density into the full Hilbert space and a stochastic rotation within the original 2-dimensional Hilbert space. Received 12 August 2002 / Received in final form 14 October 2002 Published online 4 February 2003     

Mobility in thin polymer films ranging from local segmental motion, Rouse modes to whole chain motion: A coupling model consideration

Large increases of mobility of local segmental relaxation observed in polymer films as the film thickness is decreased, as evidenced by decreases of the glass temperature, are not found for relaxation mechanisms that have longer length scales including the Rouse relaxation modes and the diffusion of entire polymer chains. We show that the coupling model predictions, when extended to consider polymer thin films, are consistent with a large increase of the mobility of the local segmental motions and the lack of such a change for the Rouse modes and the diffusion of entire polymer chains. There are two effects that can reduce the coupling parameter of the local segmental relaxation in thin films. One is the chain orientation that is induced parallel to the surface when the film thickness h becomes smaller than the end-to-end distance of the chains and the other is a finite-size effect when h is no longer large compared to the cooperative length scale. Extremely thin ( ≈ 1.5 nm) films obtained by intercalating a polymer into layered silicates have thickness significantly less than the cooperative length scale near the bulk polymer glass transition temperature. As a result, the coupling parameter of the local segmental relaxation in such thin films is reduced almost to zero. With this plausible assumption, we show the coupling model can explain quantitatively the large decrease of the local segmental relaxation time found experimentally. Received 1 August 2001 and Received in final form 1 December 2001     

Failure time and critical behaviour of fracture precursors in heterogeneous materials

The acoustic emission of fracture precursors, and the failure time of samples of heterogeneous materials (wood, fiberglass) are studied as a function of the load features and geometry. It is shown that in these materials the failure time is predicted with a good accuracy by a model of microcrack nucleation proposed by Pomeau. We find that the time interval δt between events (precursors) and the energy ɛ are power law distributed and that the exponents of these power laws depend on the load history and on the material. In contrast, the cumulated acoustic energy E presents a critical divergency near the breaking time τ which is E∼ . The positive exponent γ is independent, within error bars, on all the experimental parameters. Received 31 July 2001 and Received in final form 17 December 2001     

Structure of unsupported bismuth nanoparticles

We present new results of electron diffraction experiments on unsupported nanometer-sized bismuth clusters. The high intensity cluster beam, necessary for electron diffraction, is provided by an inert-gas aggregation source. The cluster beam contains particles with average cluster sizes between 4.5 and 10 nm. When using Helium as a carrier gas we are able to observe a transition from crystalline clusters to a new structure, which we identify with that of amorphous or liquid clusters. Received 28 November 2000     

Molecular flow and wall collision age distributions

The use of storage cells has become a standard technique for internal gas targets in conjunction with high energy storage rings. In case of spin-polarized hydrogen and deuterium gas targets the interaction of the injected atoms with the walls of the storage cell can lead to depolarization and recombination. Thus the number of wall collisions of the atoms in the target gas is important for modeling the processes of spin relaxation and recombination. It is shown in this article that the diffusion process of rarefied gases in long tubes or storage cells can be described with the help of the one-dimensional diffusion equation. Mathematical methods are presented that allow one to calculate collision age distributions (CAD) and their moments analytically. These methods provide a better understanding of the different aspects of diffusion than Monte Carlo calculations. Additionally it is shown that measurements of the atomic density or polarization of a gas sample taken from the center of the tube allow one to determine the possible range of the corresponding density weighted average values along the tube. The calculations are applied to the storage cell geometry of the HERMES internal polarized hydrogen and deuterium gas target. Received 9 July 2001 and Received in final form 18 September 2001     

Scaling behavior of a nonlinear oscillator with additive noise,white and colored

We study analytically and numerically the problem of a nonlinear mechanical oscillator with additive noise in the absence of damping. We show that the amplitude, the velocity and the energy of the oscillator grow algebraically with time. For Gaussian white noise, an analytical expression for the probability distribution function of the energy is obtained in the long-time limit. In the case of colored, Ornstein-Uhlenbeck noise, a self-consistent calculation leads to (different) anomalous diffusion exponents. Dimensional analysis yields the qualitative behavior of the prefactors (generalized diffusion constants) as a function of the correlation time. Received 10 October 2002 Published online 6 March 2003 RID="a" ID="a"e-mail: mallick@spht.saclay.cea.fr     

X-ray reflectivity of solid-supported, multilamellar membranes

We have investigated the structure of solid-supported, multilamellar membranes by X-ray reflectivity. The density profile is obtained by fitting the full q-range to a model using the bilayer Fourier coefficients as fitting parameters. The effect of hydration and the substrate boundary condition are discussed in view of the well-known Landau-Peierls effect and its implications for structure determination. The resulting bilayer density profile agrees remarkably well with previously published data of a molecular dynamics (MD) simulation for 1,2-oleoyl-palmitoyl-sn-glycero-3-phosphocholine (OPPC). Received 1 October 2001 and Received in final form 21 December 2001