Application of thermodynamics to driven systems

Application of thermodynamics to driven systems is discussed. As particular examples, simple traffic flow models are considered. On a microscopic level, traffic flow is described by Bando's optimal velocity model in terms of accelerating and decelerating forces. It allows to introduce kinetic, potential, as well as total energy, which is the internal energy of the car system in view of thermodynamics. The latter is not conserved, although it has certain value in any of two possible stationary states corresponding either to fixed point or to limit cycle in the space of headways and velocities. On a mesoscopic level of description, the size n of car cluster is considered as a stochastic variable in master equation. Here n=0 corresponds to the fixed-point solution of the microscopic model, whereas the limit cycle is represented by coexistence of a car cluster with n>0 and free flow phase. The detailed balance holds in a stationary state just like in equilibrium liquid-gas system. It allows to define free energy of the car system and chemical potentials of the coexisting phases, as well as a relaxation to a local or global free energy minimum. In this sense the behaviour of traffic flow can be described by equilibrium thermodynamics. We find, however, that the chemical potential of the cluster phase of traffic flow depends on an outer parameter - the density of cars in the free-flow phase. It allows to distinguish between the traffic flow as a driven system and purely equilibrium systems.Comment: 9 pages, 6 figures. Eur. Phys. J. B (2007) to be publishe

Equilibrium distributions in thermodynamical traffic gas

We derive the exact formula for thermal-equilibrium spacing distribution of one-dimensional particle gas with repulsive potential V(r)=r^(-a) (a>0) depending on the distance r between the neighboring particles. The calculated distribution (for a=1) is successfully compared with the highway-traffic clearance distributions, which provides a detailed view of changes in microscopical structure of traffic sample depending on traffic density. In addition to that, the observed correspondence is a strong support of studies applying the equilibrium statistical physics to traffic modelling.Comment: 5 pages, 6 figures, changed content, added reference

Lattice relaxation around arsenic and selenium in CdTe

We have investigated the lattice relaxation around impurity atoms at the anion sublattice in CdTe, such as As acting as acceptor and Se which is isovalent to Te, with fluorescence detected EXAFS. We experimentally verify the lattice relaxation with a bond length being reduced by 8% around the As atom as inferred indirectly from ab-initio calculations of the electric field gradient in comparison with the measured value in a PAC experiment (S. Lany et al., Phys. Rev. B 62, R2259 (2000)). In the case of the isovalent impurity atom Se, the bond length is similarly reduced as determined experimentally by EXAFS and by model calculations with the density functional theory implemented in the WIEN97 program. In contrast to this inward relaxation, preliminary calculations for Br in CdTe, the next element in the series As, Se, and Br, which acts as donor at the Te sublattice, indicate an increase in bond length, an interesting prediction waiting for experimental verification

Experimental verification of calculated lattice relaxations around impurities in CdTe

We have measured the lattice distortion around As acceptor and Br donor in CdTe with fluorescence detected X ray absorption spectroscopy. We could experimentally verify the lattice relaxation with a bond length reduction of 8 around the As atom as inferred indirectly from ab initio calculations of the electric field gradient performed with the WIEN97 package in comparison with the measured value in a Perturbed Angular Correlation experiment as recently reported. We have complemented our own calculations of relaxation with WIEN97 with calculations using the FHI96md pseudo potential program which allows the use of larger super cell sizes. Encouraged by the good agreement between experiment and model calculation for As in CdTe as well as similarly for the isovalent Se in CdTe, we extended our investigation to Br in CdTe, where the electric field gradient has also been measured, and could not only verify the derived lattice expansion around Br with our EXAFS analysis but additionally observe fractions of Br in the A center as well as in a DX center configuratio

Gaming with eutrophication: Contribution to integrating water quantity and quality management at catchment level

The Metropolitan Region of Sao Paulo (MRSP) hosts 18 million inhabitants. A complex system of 23 interconnected reservoirs was built to ensure its water supply. Half of the potable water produced for MRSP's population (35 m3/s) is imported from a neighbour catchment, the other half is produced within the Alto Tietê catchment, where 99% of the population lives. Perimeters of land use restriction were defined to contain uncontrolled urbanization, as domestic effluents were causing increasing eutrophication of some of these reservoirs. In the 90's catchment committees and sub committees were created to promote discussion between stakeholders and develop catchment plans. The committees are very well structured "on paper". However, they are not very well organised and face a lack of experience. The objective of this work was to design tools that would strengthen their discussion capacities. The specific objective of the AguAloca process was to integrate the quality issue and its relation to catchment management as a whole in these discussions. The work was developed in the Alto Tietê Cabeceiras sub-catchment, one of the 5 sub catchments of the Alto-Tietê. It contains 5 interconnected dams, and presents competitive uses such as water supply, industry, effluent dilution and irrigated agriculture. A RPG was designed following a companion modelling approach (Etienne et al., 2003). It contains a friendly game-board, a set of individual and collective rules and a computerized biophysical model. The biophysical model is used to simulate water allocation and quality processes at catchment level. It articulates 3 modules. A simplified nutrient discharge model permits the estimation of land use nutrient exportation. An arc-node model simulates water flows and associated nutrient charges from one point of the hydrographical network to another. The Vollenweider model is used for simulating specific reservoir dynamics. The RPG allows players to make individual and collective decisions related to water allocation and the management of its quality. Impacts of these decisions are then simulated using the biophysical model. Specific indicators of the game are then updated and may influence player's behaviour (actions) in following rounds. To introduce discussions on the management of water quality at a catchment level, an issue that is rarely explicitly dealt with, four game sessions were implemented involving representatives of basin committees and water and sanitation engineers. During the game session, the participants took advantage of the water quality output of the biophysical model to test management alternatives such as rural sewage collection or effluent dilution. The biophysical model accelerated calculations of flows and eutrophication rates that were then returned to the game board with explicit indicators of quantity and quality. Players could easily test decisions impacting on qualitative water processes and visualize the simulation results directly on the game board that was representing a friendly, virtual and simplified catchment. The Agualoca game proved its ability to turn complex water processes understandable for a non totally initiated public. This experience contributed to a better understanding of multiple-use water management and also of joint management of water quality and quantity. (Résumé d'auteur

Long-lived states of oscillator chain with dynamical traps

A simple model of oscillator chain with dynamical traps and additive white noise is considered. Its dynamics was studied numerically. As demonstrated, when the trap effect is pronounced nonequilibrium phase transitions of a new type arise. Locally they manifest themselves via distortion of the particle arrangement symmetry. Depending on the system parameters the particle arrangement is characterized by the corresponding distributions taking either a bimodal form, or twoscale one, or unimodal onescale form which, however, deviates substantially from the Gaussian distribution. The individual particle velocities exhibit also a number of anomalies, in particular, their distribution can be extremely wide or take a quasi-cusp form. A large number of different cooperative structures and superstructures made of these formations are found in the visualized time patterns. Their evolution is, in some sense, independent of the individual particle dynamics, enabling us to regard them as dynamical phases.Comment: 8 pages, 5 figurs, TeX style of European Physical Journa

Structural stability and local electronic properties of some EC synthesized magnetite nanopowders

Structural and electronic properties, oxidation and aging effect of electrochemically (EC) synthesized magnetite nanopowders (NPs) are studied by means of X–ray diffraction (XRD), X–ray absorption fine structure (XAFS) and X–ray magnetic circular dichroism (XMCD). The obtained results enabled to get a direct insight into the structure and electronic properties of Fe immediate surrounding and to elucidate the influence of preparation conditions on stoichiometry of NPs and their stability in ambient conditions. All investigated NPs are produced as non–stoichiometric Fe$_{3−δ}$O$_4$ oxide phases, with the lattice constant and the Fe$^{2+}$/Fe$^{3+}$ ratio both in–between the values for bulk maghemite and magnetite. NPs synthesized under smaller current density (J = 200 mA/dm$^2$) are more magnetite–alike, whereas larger current density (J = 1000 mA/dm$^2$) has led to formation of NPs closer to maghemite. Oxidation of magnetite–like NPs is slower, although in the course of time particles agglomerate and oxide penetrates into the core. Maghemite–like NPs oxidize much faster and the oxide layer which is confined close to the particles' surface protects the core from further oxidation. In all NPs the fist coordination around Fe is pretty stable against both temperature and oxidation process. The temperature change from 293 K to 20 K considerably affects the second coordination around Fe, which is most likely a consequence of the Verwey transition present in all investigated samples

Towards a variational principle for motivated vehicle motion

We deal with the problem of deriving the microscopic equations governing the individual car motion based on the assumptions about the strategy of driver behavior. We suppose the driver behavior to be a result of a certain compromise between the will to move at a speed that is comfortable for him under the surrounding external conditions, comprising the physical state of the road, the weather conditions, etc., and the necessity to keep a safe headway distance between the cars in front of him. Such a strategy implies that a driver can compare the possible ways of his further motion and so choose the best one. To describe the driver preferences we introduce the priority functional whose extremals specify the driver choice. For simplicity we consider a single-lane road. In this case solving the corresponding equations for the extremals we find the relationship between the current acceleration, velocity and position of the car. As a special case we get a certain generalization of the optimal velocity model similar to the "intelligent driver model" proposed by Treiber and Helbing.Comment: 6 pages, RevTeX

First principles calculations of tetragonal FeX X S, Se, Te Magnetism, hyperfine interaction, and bonding

Magnetic ground states, local crystallographic environment of Fe, and hyperfine interaction parameters in tetragonal FeX X S, Se, Te are investigated by means of density functional theory DFT calculations using augmented plane waves plus local orbitals APW lo method. We use several different mag netic configurations to evaluate the magnetic and electronic properties of this system, as well as the hyperfine interaction parameters at Fe lattice site. The results obtained for the ground state collinear anti ferromagnetic arrangement relatively well reproduce the quadruple splitting and isomer shifts from the available Mössbauer measurements. The Bader s atoms in molecule charge density analysis indicates bonding of closed shell type and a sizable charge transfer from Fe to X . The system properties are sensitive to the structural optimization of the position of the chalcogen atom with respect to the iron plan