Monte carlo simulations of growth modes of Pb nanoislands on Si(111) surface

The growth of Pb islands on a Si(111) surface exhibits many interesting properties. For example, the self-assembled process results in a homogeneous distribution of Pb islands with uniform height. The dependence of this height on coverage and temperature can be expressed as a phase diagram [1]. In this paper we develop a model of the growth process that reflects the main features of the experimental observations and determines the key processes of quantum dot formation in a Pb/Si(111) system. The growth of islands is simulated by the Monte Carlo method. With suitably chosen parameters the model is able to reconstruct the phase diagram, via the dependence of the dynamics of Pb atoms on area and height. These dependencies are attributed to stress energy and quantum size effects.     

Electronic and optical properties under pressure effect of alkali metal oxides

We report results of first-principles calculations for the electronic and optical properties under pressure effect of Li₂O, Na₂O, Ki₂O and Rb₂O compounds in the cubic antifluorite structure, using a full relativistic version of the full-potential augmented plane-wave plus local orbitals (FP-APW+lo) method based on density functional theory, within the local density approximation (LDA) and the generalized gradient approximation (GGA). Moreover, the alternative form of GGA proposed by Engel and Vosko (GGA-EV) is also used for band structure calculations. The calculated equilibrium lattices and bulk moduli are in good agreement with the available data. Band structure, density of states, and pressure coefficients of the fundamental energy gap are given. The critical point structure of the frequency dependent complex dielectric function is also calculated and analyzed to identify the optical transitions. The pressure dependence of the static optical dielectric constant is also investigated.     

Anticipative control of switched queueing systems

The relevant dynamics of a queueing process can be anticipated by taking future arrivals into account. If the transport from one queue to another is associated with transportation delays, as it is typical for traffic or productions networks, future arrivals to a queue are known over some time horizon and, thus, can be used for an anticipative control of the corresponding flows. A queue is controlled by switching its outflow between “on” and “off” similar to green and red traffic lights, where switching to “on” requires a non-zero setup time. Due to the presence of both continuous and discrete state variables, the queueing process is described as a hybrid dynamical system. From this formulation, we derive one observable of fundamental importance: the green time required to clear the queue. This quantity allows to detect switching time points for serving platoons without delay, i.e., in a “green wave” manner. Moreover, we quantify the cost of delaying the start of a service period or its termination in terms of additional waiting time. Our findings may serve as a basis for strategic control decisions.     

Multivariate analysis of spatially heterogeneous phase synchronisation in complex systems: application to self-organised control of material flows in networks

Networks of interacting components are a class of complex systems that has attracted considerable interest over the last decades. In particular, if the dynamics of the autonomous components is characterised by an oscillatory behaviour, different types of synchronisation can be observed in dependence on the type and strength of interactions. In this contribution, we study the transition from non-synchronised to synchronised phase dynamics in complex networks. The most common approach to quantify the degree of phase synchronisation in such systems is the consideration of measures of phase coherence which are averaged over all pairs of interacting components. However, this approach implicitly assumes a spatially homogeneous synchronisation process, which is typically not present in complex networks. As a potential alternative, two novel methods of multivariate phase synchronisation analysis are considered: synchronisation cluster analysis (SCA) and the linear variance decay (LVD) dimension method. The strengths and weaknesses of the traditional as well as both new approaches are briefly illustrated for a Kuramoto model with long-range coupling. As a practical application, we study how spatial heterogeneity influences the transition to phase synchronisation in traffic networks where intersecting material flows are subjected to a self-organised decentralised control. We find that the network performance and the degree of phase synchronisation are closely related to each other and decrease significantly in the case of structural heterogeneities. The influences of the different parameters of our control approach on the synchronisation process are systematically studied, yielding a sequence of Arnold tongues which correspond to different locking modes.     

Hierarchy,cities size distribution and Zipf's law

We show that a hierarchical cities structure can be generated by a self-organized process which grows with a bottom-up mechanism, and that the resulting distribution is power law. First we analytically prove that the power law distribution satisfies the balance between the offer of the city and the demand of its basin of attraction, and that the exponent in the Zipf's law corresponds to the multiplier linking the population of the central city to the population of its basin of attraction. Moreover, the corresponding hierarchical structure shows a variable spanning factor, and the population of the cities linked to the same city up in the hierarchy is variable as well. Second a stochastic dynamic spatial model is proposed, whose numerical results confirm the analytical findings. In this model, inhabitants minimize the transportation cost, so that the greater the importance of this cost, the more stable is the system in its microscopic aspect. After a comparison with the existent methods for the generation of a power law distribution, conclusions are drawn on the connection of hierarchical structure, and power law distribution, with the functioning of the system of cities.     

Field-theoretical Renormalization-Group approach to critical dynamics of crosslinked polymer blends

We consider a crosslinked polymer blend that may undergo a microphase separation. When the temperature is changed from an initial value towards a final one very close to the spinodal point, the mixture is out equilibrium. The aim is the study of dynamics at a given time t, before the system reaches its final equilibrium state. The dynamics is investigated through the structure factor, S(q, t), which is a function of the wave vector q, temperature T, time t, and reticulation dose D. To determine the phase behavior of this dynamic structure factor, we start from a generalized Langevin equation (model C) solved by the time composition fluctuation. Beside the standard de Gennes Hamiltonian, this equation incorporates a Gaussian local noise, ζ. First, by averaging over ζ, we get an effective Hamiltonian. Second, we renormalize this dynamic field theory and write a Renormalization-Group equation for the dynamic structure factor. Third, solving this equation yields the behavior of S(q, t), in space of relevant parameters. As result, S(q, t) depends on three kinds of lengths, which are the wavelength q ⁻¹, a time length scale R(t) ∼ t ^1/z , and the mesh size ξ ^*. The scale R(t) is interpreted as the size of growing microdomains at time t. When R(t) becomes of the order of ξ ^*, the dynamics is stopped. The final time, t ^*, then scales as t ^* ∼ ξ ^{* z}, with the dynamic exponent z = 6−η. Here, η is the usual Ising critical exponent. Since the final size of microdomains ξ ^* is very small (few nanometers), the dynamics is of short time. Finally, all these results we obtained from renormalization theory are compared to those we stated in some recent work using a scaling argument.     

Domain wall delocalization,dynamics and fluctuations in an exclusion process with two internal states

We investigate the delocalization transition appearing in an exclusion process with two internal states, respectively on two parallel lanes. At the transition, delocalized domain walls form in the density profiles of both internal states, in agreement with a mean-field approach. Remarkably, the topology of the system’s phase diagram allows for the delocalization of a (localized) domain wall when approaching the transition. We quantify the domain wall’s delocalization close to the transition by analytic results obtained within the framework of the domain wall picture. Power law dependences of the domain wall width on the distance to the delocalization transition as well as on the system size are uncovered, they agree with numerical results.     

Physical aging of glassy PMMA/toluene films: Influence of drying/swelling history

Gravimetry experiments in a well-controlled environment have been performed to investigate aging for a glassy PMMA/toluene film. The temperature is constant and the control parameter is the solvent vapor pressure above the film (i.e. the activity). Several experimental protocols have been used, starting from a high activity where the film is swollen and rubbery and then aging the film at different activities below the glass transition. Desorption and resorption curves have been compared for the different protocols, in particular in terms of the softening time, i.e. the time needed by the sample to recover an equilibrium state at high activity. Non-trivial behaviors have been observed, especially at small activities (deep quench). A model is proposed, extending the Leibler-Sekimoto approach to take into account the structural relaxation in the glassy state, using the Tool formalism. This model well captures some of the observed phenomena, but fails in describing the specific kinetics observed when aging is followed by a short but deep quench.     

The effect of tamper layer on the explosion dynamics of atom clusters

The behavior of small samples in very short and intense hard X-ray pulses is studied by molecular dynamics type calculations. The main emphasis is put on the effect of various tamper layers about the sample. This is discussed from the point of view of structural imaging of single particles, including not only the distortion of the structure but also the background conditions. A detailed picture is given about the Coulomb explosion, with explanation of the tampering mechanism. It is shown that a thin water layer is efficient in slowing down the distortion of the atomic structure, but it gives a significant contribution to the background.