Reply to: “Comment on: ‘Epidemic spreading on heterogeneous networks with identical infectivity’ [Phys. Lett. A 364 (2007) 189]” [Phys. Lett. A 372 (2008) 1722]

In a recent Letter [R. Yang, B.H. Wang, J. Ren, W.J. Bai, Z.W. Shi, W.X. Wang, T. Zhou, Phys. Lett. A 364 (2007) 189], we proposed a modified susceptible-infected-recovered (SIR) model, in which each node is assigned with an identical capability of active contact, A, at each time step. We found a threshold value λc=1/A in uncorrelated and unlocalized networks. A corresponding Comment, raised by Alberto d'Onofrio, claimed that (i) our model is not biologically relevant; (ii) our model does not have a threshold behavior for recovered population; (iii) the analytical result λc=1/A is incorrect being considered as a threshold for epidemic outbreak, because of an improper approximation of the initial configuration. In this Reply, I show that, by debating from point to point, our analysis and conclusion are solid and reasonable.     

Hidden variables in quantum mechanics: Generic models, set-theoretic forcing, and the appearance of probability

The hidden-variables premise is shown to be equivalent to the existence of generic filters for systems of commuting observables of a quantum system. The significance of this equivalence is interpreted in light of the theory of generic filters and boolean-valued models in set theory. The apparent stochastic nature of quantum observation is derived for these hidden-variables models.     

Free energy landscape from path-sampling: application to the structural transition in LJ38

We introduce a path-sampling scheme that allows equilibrium state-ensemble averages to be computed by means of a biased distribution of non-equilibrium paths. This non-equilibrium method is applied to the case of the 38-atom Lennard-Jones atomic cluster, which has a double-funnel energy landscape. We calculate the free energy profile along the Q₄ bond orientational order parameter. At high or moderate temperature the results obtained using the non-equilibrium approach are consistent with those obtained using conventional equilibrium methods, including parallel tempering and Wang-Landau Monte Carlo simulations. At lower temperatures, the non-equilibrium approach becomes more efficient in exploring the relevant inherent structures. In particular, the free energy agrees with the predictions of the harmonic superposition approximation.     

Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness

We have analyzed the mechanism of melting of layers adsorbed in cylindrical pores of porous materials. The goal was to understand the melting mechanism of simple fluids adsorbed in pores with heterogeneous wall surface. The studied system was a monolayer of methane molecules adsorbed in MCM-41 pore of diameter d = 4 nm. Both experimental (neutron scattering) and simulation (Monte Carlo) results proved extremely strong influence of the wall roughness on the melting mechanism. The most striking difference between melting on smooth and rough surfaces was in the temperatures of the transition. The transformation between solid-like and liquid-like monolayer phases adsorbed on a rough surface was observed in a very large temperature range and the solid like properties were observed even above the bulk methane melting temperature.     

Dynamical properties of the slithering-snake algorithm: A numerical test of the activated-reptation hypothesis

Correlations in the motion of reptating polymers in a melt are investigated by means of Monte Carlo simulations of the three-dimensional slithering-snake version of the bond-fluctuation model. Surprisingly, the slithering-snake dynamics becomes inconsistent with classical reptation predictions at high chain overlap (created either by chain length N or by the volume fraction φ of occupied lattice sites), where the relaxation times increase much faster than expected. This is due to the anomalous curvilinear diffusion in a finite time window whose upper bound (N) is set by the density of chain ends φ/N. Density fluctuations created by passing chain ends allow a reference polymer to break out of the local cage of immobile obstacles created by neighboring chains. The dynamics of dense solutions of “snakes” at t ≪ is identical to that of a benchmark system where all chains but one are frozen. We demonstrate that the subdiffusive dynamical regime is caused by the slow creeping of a chain out of its correlation hole. Our results are in good qualitative agreement with the activated-reptation scheme proposed recently by Semenov and Rubinstein (Eur. Phys. J. B, 1 (1998) 87). Additionally, we briefly comment on the relevance of local relaxation pathways within a slithering-snake scheme. Our preliminary results suggest that a judicious choice of the ratio of local to slithering-snake moves is crucial to equilibrate a melt of long chains efficiently. Received: 18 December 2002 / Accepted: 3 April 2003 / Published online: 12 May 2003 RID="a" ID="a"e-mail: jwittmer@dpm.univ-lyon1.fr RID="b" ID="b"Current address: University of Illinois at Urbana-Champaign.     

On a multistable competitive network model in the case of an inhomogeneous growth rate spectrum: With an application to priming

A stability analysis of a network model proposed by Haken is carried out for the case of an inhomogeneous spectrum of growth rates. The degree of multistability as a function of the coupling strength between network units is determined. An application to priming shows that the network can reconstruct the fundamental phenomenon that primed items have shorter recall latencies than non-primed items when assuming that learning affects the inhomogeneity of the growth rate spectrum.     

The use of symmetry in the search for canted ferromagnetism, its application to the molecular magnets Mn[N(CN)2]2 and Fe[N(CN)2]2

Canted ferromagnets present a important class of molecular magnets. In these materials the uncompensated magnetisation, created by the DzyaloshinskyMoriya interaction, has the particular property of being compatible with the symmetry of the underlying antiferromagnetic Hamiltonian. If the ordering transition is continuous, Landau theory and simple symmetry arguments about the crystal structure can be used to determine whether such parasitic ferromagnetism is possible, and therefore to aid the systematic search for new molecular ferromagnets.     

Dynamical stability of systems with long-range interactions: application of the Nyquist method to the HMF model

We apply the Nyquist method to the Hamiltonian mean field (HMF) model in order to settle the linear dynamical stability of a spatially homogeneous distribution function with respect to the Vlasov equation. We consider the case of Maxwell (isothermal) and Tsallis (polytropic) distributions and show that the system is stable above a critical kinetic temperature T_c and unstable below it. Then, we consider a symmetric double-humped distribution, made of the superposition of two decentered Maxwellians, and show the existence of a re-entrant phase in the stability diagram. When we consider an asymmetric double-humped distribution, the re-entrant phase disappears above a critical value of the asymmetry factor Δ > 1.09. We also consider the HMF model with a repulsive interaction. In that case, single-humped distributions are always stable. For asymmetric double-humped distributions, there is a re-entrant phase for 1 ≤ Δ < 25.6, a double re-entrant phase for 25.6 < Δ < 43.9 and no re-entrant phase for Δ > 43.9. Finally, we extend our results to arbitrary potentials of interaction and mention the connexion between the HMF model, Coulombian plasmas and gravitational systems. We discuss the relation between linear dynamical stability and formal nonlinear dynamical stability and show their equivalence for spatially homogeneous distributions. We also provide a criterion of dynamical stability for spatially inhomogeneous systems.     

p-type porous-silicon transducer for cation detection: effect of the porosity, pore morphology, temperature and ion valency on the sensor response and generalisation of the Nernst equation

This paper shows the possibility of using oxidised porous silicon (PS) as a transducer material for ion-sensor applications. It aims to study the over-Nernstian behaviour of the porous electrodes towards the concentration of cations in contact. The dependence of the sensitivity on the porosity of the samples prepared from highly doped substrates has been studied. Maximal values of over-Nernstian sensitivities around 240 mV/pNa and ∼92 mV/pCu, corresponding to a PS-layer porosity of about 65%, obtained respectively from p⁻ and p⁺ silicon substrates, have been registered. Furthermore, the effect of the porous nanostructure morphology has been studied, by preparing PS samples from weakly doped wafers. The porous-silicon-based sensor behaviour for different PS-layer thicknesses has also been experimentally investigated. According to these results, a physical model has been proposed to explain the mechanisms which govern the charge-carrier transfer from one side to the other of the functionalised oxide layer, and leads to the over-Nernstian adsorption of the cationic species at the electrolyte/SiO₂ interface. Afterwards, the Nernst relation has been generalised accordingly, on one hand, to the previous experimental results, and on the other hand, to the results obtained about the ion-valency and the electrolyte-temperature effects on the sensor responses. Received: 15 December 2000 / Accepted: 18 December 2000 / Published online: 23 March 2001     

An Infinitesimal Deformation Approach to the Crystallographic Theory of the Martensite Phase Transformation: Application to Au-Cd,Fe-Ni AND In-Tl Alloys

Using the infinitesimal deformation approach, a crystallographic analysis of the austenite-martensite transformation from the cubic to orthorhombic phase - which predicts crystallographic parameters such as habit plane, orientation relationship between austenite and martensite, rotation matrix and total shape deformation matrix - is derived from a knowledge of the crystal structures of the initial and final phase only. The numerical values coming from orientation relationships obtained for Au-47.5 Cd Fe-Ni and In--Tl alloys are compared with predictions of the phenomenological crystallographic theory, infinitesimal deformation approach and experimental data.     

Recoil Beta Tagging: Application to the study of odd-odd near proton drip line nuclei, 74Rb and 78Y

We present a study of low-spin states in ⁷⁴Rb and ⁷⁸Y using the new technique of Recoil Beta Tagging. This yielded new information on ⁷⁴Rb and has provided the first evidence for non-isomeric T= 1 states in ⁷⁸Y.     

Infrared-laser-pulse control of bond- and state-selective excitation, dissociation and space quantization: application to a three-dimensional model of HONO2 in the ground electronic state

Selective control over the vibrational excitation and space quantization of the dissociation fragments by optimally designed linearly polarized and shaped infrared (IR) laser pulses of the picosecond (ps) and subpicosecond duration is demonstrated by means of quantum-dynamical simulations within the Schr?dinger wave-function formalism for a three-dimensional (3-D) model of HONO₂ in the ground electronic state, wherein the OH and the ON single-bond stretches are explicitly treated, together with the bending angle between them, on the basis of the ab initio defined 3-D potential-energy surface and dipole function. The high-lying zeroth-order vibrational states of the OH bond are prepared selectively both below and above the dissociation threshold of the ON single bond, and demonstrate a quasi-periodic oscillatory behaviour, manifesting intramolecular vibrational energy redistribution (IVR) on the picosecond timescale. Selective breakage of the ON single bond in HONO₂ with more than 97% probability is demonstrated, along with control of the space quantization of the dissociation fragments: the OH fragments rotating clockwise, OH(c), and anticlockwise, OH(a), are prepared selectively, with the OH(a)/OH(c) branching ratio being as high as 10.975. The results obtained show that optimally designed strong and short IR-laser pulses can compete against IVR and manipulate vibrational excitation and dissociation of polyatomic molecules. Received: 3 November 1999 / Published online: 13 July 2000     

One-dimensional Ising-like systems: an analytical investigation of the static and dynamic properties, applied to spin-crossover relaxation

We investigate the dynamical properties of the 1-D Ising-like Hamiltonian taking into account short and long range interactions, in order to predict the static and dynamic behavior of spin crossover systems. The stochastic treatment is carried out within the frame of the local equilibrium method [1]. The calculations yield, at thermodynamic equilibrium, the exact analytic expression previously obtained by the transfer matrix technique [2]. We mainly discuss the shape of the relaxation curves: (i) for large (positive) values of the short range interaction parameter, a saturation of the relaxation curves is observed, reminiscent of the behavior of the width of the static hysteresis loop [3]; (ii) a sigmoidal (self-accelerated) behavior is obtained for large enough interactions of any type; (iii) the relaxation curves exhibit a sizeable tail (with respect to the mean-field curves) which is clearly associated with the transient onset of first-neighbor correlations in the system, due to the effect of short-range interactions. The case of negative short-range interaction is briefly discussed in terms of two-step properties. Received 29 October 1999 and Received in final form 30 December 1999     

Persistent spectral hole-burning in a -doped aluminosilicate glass from 8 to 295 K: Study of the burning and refilling kinetics, and of optical dephasing

High-temperature persistent spectral hole-burning (PSHB), up to room temperature, has been observed in a Eu ³⁺ -doped aluminosilicate glass using a high peak-power nanosecond dye laser. Spontaneous refilling as well as thermal cycling measurements show that at least two mechanisms, a fast and a slow one, are involved in our sample. We suggest that the fast or “easy” component may correspond to a non-photochemical local rearrangement of the host or to photoreduction of the Eu ³⁺ ions and that the second one leading to very stable photoproducts may correspond to transfer of an electron over a sizable distance through a several-step process. The mechanisms we suggest agree with light-induced hole refilling measurements. Line broadening mechanisms are discussed and the temperature-dependent part of the homogeneous width and of the spectral shift is interpreted in terms of a two-phonon (Raman) process involving pseudo-local phonons. Received 28 July 1999     

From Natural History to the Nuclear Shell Model: Chemical Thinking in the Work of Mayer,Haxel, Jensen,and Suess

In 1949 the nuclear shell model was discovered simultaneously in the United States and Germany. Both discoveries were the result of a nuclear scientist looking at geochemical and nuclear data with the eyes of a chemist. Maria Goeppert Mayer in the United States and Hans Suess in Germany both brought a chemists perspective to the problem; the theoretical solution was subsequently supplied independently by Mayer and Hans Jensen.Karen E. Johnson is Priest Associate Professor at St.Lawrence University, where she teaches physics and history of science. She is currently writing a dual biography of Maria Goeppert Mayer and Joseph E.Mayer.     

Nanodosimetric kinetic model incorporating localized and delocalized recombination: Application to the prediction of the electron dose response of the peak 5a/5 ratio in the glow curve of LiF:Mg,Ti (TLD-100)

A kinetic model combining both localized and delocalized recombination is described which is based on different filling rates as a function of irradiation electron energy of a spatially correlated trapping center/luminescent center (TC/LC) complex. Following irradiation and thermal de-trapping the locally trapped electron-hole configuration is assumed to give rise to peak 5a and the e-only configuration to peak 5 in the glow curve of LiF:Mg,Ti (TLD-100). The model is capable of simulating the linear/supralinear dose response of composite peak 5, the dependence of the supralinearity on photon energy and the ratio of the intensities of peak 5a to peak 5 as a function of dose. However, this is achieved only by invoking the presence of band-tail states which allow thermally induced hopping leading to semi-localized recombination in the recombination mechanism of the e-only configuration.