Thermodynamic anomalies in a lattice model of water: Solvation properties

We investigate a lattice-fluid model of water, defined on a 3-dimensional body-centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms. The model is similar to the one proposed by Roberts and Debenedetti [J. Chem. Phys. 105, 658 (1996)], simplified by removing distinction between "donors" and "acceptors". We focus on solvation properties, mainly as far as an ideally inert (hydrophobic) solute is concerned. As in our previous analysis, devoted to neat water [J. Chem. Phys. 121, 11856 (2004)], we make use of a generalized first order approximation on a tetrahedral cluster. We show that the model exhibits quite a coherent picture of water thermodynamics, reproducing qualitatively several anomalous properties observed both in pure water and in solutions of hydrophobic solutes. As far as supercooled liquid water is concerned, the model is consistent with the second critical point scenario.Comment: 12 pages, 9 figures, 1 tabl

Cluster-variation approximation for a network-forming lattice-fluid model

We consider a 3-dimensional lattice model of a network-forming fluid, which has been recently investigated by Girardi and coworkers by means of Monte Carlo simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of describing water anomalies. We develop an approximate semi-analytical calculation, based on a cluster-variation technique, which turns out to reproduce almost quantitatively different thermodynamic properties and phase transitions determined by the Monte Carlo method. Nevertheless, our calculation points out the existence of two different phases characterized by long-range orientational order, and of critical transitions between them and to a high-temperature orientationally-disordered phase. Also, the existence of such critical lines allows us to explain certain ``kinks'' in the isotherms and isobars determined by the Monte Carlo analysis. The picture of the phase diagram becomes much more complex and richer, though unfortunately less suitable to describe real water.Comment: 10 pages, 9 figures, submitted to J. Chem. Phy

Revisiting waterlike network-forming lattice models

In a previous paper [J. Chem. Phys. 129, 024506 (2008)] we studied a 3 dimensional lattice model of a network-forming fluid, recently proposed in order to investigate water anomalies. Our semi-analytical calculation, based on a cluster-variation technique, turned out to reproduce almost quantitatively several Monte Carlo results and allowed us to clarify the structure of the phase diagram, including different kinds of orientationally ordered phases. Here, we extend the calculation to different parameter values and to other similar models, known in the literature. We observe that analogous ordered phases occur in all these models. Moreover, we show that certain "waterlike" thermodynamic anomalies, claimed by previous studies, are indeed artifacts of a homogeneity assumption made in the analytical treatment. We argue that such a difficulty is common to a whole class of lattice models for water, and suggest a possible way to overcome the problem.Comment: 13 pages, 12 figure

Computations on Sofic S-gap Shifts

Let $S=\{s_{n}\}$ be an increasing finite or infinite subset of $\mathbb N \bigcup \{0\}$ and $X(S)$ the $S$-gap shift associated to $S$. Let $f_{S}(x)=1-\sum\frac{1}{x^{s_{n}+1}}$ be the entropy function which will be vanished at $2^{h(X(S))}$ where $h(X(S))$ is the entropy of the system. Suppose $X(S)$ is sofic with adjacency matrix $A$ and the characteristic polynomial $\chi_{A}$. Then for some rational function $Q_{S}$, $\chi_{A}(x)=Q_{S}(x)f_{S}(x)$. This $Q_{S}$ will be explicitly determined. We will show that $\zeta(t)=\frac{1}{f_{S}(t^{-1})}$ or $\zeta(t)=\frac{1}{(1-t)f_{S}(t^{-1})}$ when $|S|<\infty$ or $|S|=\infty$ respectively. Here $\zeta$ is the zeta function of $X(S)$. We will also compute the Bowen-Franks groups of a sofic $S$-gap shift.Comment: This paper has been withdrawn due to extending results about SFT shifts to sofic shifts (Theorem 2.3). This forces to apply some minor changes in the organization of the paper. This paper has been withdrawn due to a flaw in the description of the adjacency matrix (2.3

The impact of space and space-related activities on a local economy. a case study of boulder, colorado. part ii- the income-product accounts

Total impact of space and space related activities on local economy of Boulder, Colorado - income-product account

An automatic visual analysis system for tennis

This article presents a novel video analysis system for coaching tennis players of all levels, which uses computer vision algorithms to automatically edit and index tennis videos into meaningful annotations. Existing tennis coaching software lacks the ability to automatically index a tennis match into key events, and therefore, a coach who uses existing software is burdened with time-consuming manual video editing. This work aims to explore the effectiveness of a system to automatically detect tennis events. A secondary aim of this work is to explore the bene- fits coaches experience in using an event retrieval system to retrieve the automatically indexed events. It was found that automatic event detection can significantly improve the experience of using video feedback as part of an instructional coaching session. In addition to the automatic detection of key tennis events, player and ball movements are automati- cally tracked throughout an entire match and this wealth of data allows users to find interesting patterns in play. Player and ball movement information are integrated with the automatically detected tennis events, and coaches can query the data to retrieve relevant key points during a match or analyse player patterns that need attention. This coaching software system allows coaches to build advanced queries, which cannot be facilitated with existing video coaching solutions, without tedious manual indexing. This article proves that the event detection algorithms in this work can detect the main events in tennis with an average precision and recall of 0.84 and 0.86, respectively, and can typically eliminate man- ual indexing of key tennis events

Topological Entropy of Braids on the Torus

A fast method is presented for computing the topological entropy of braids on the torus. This work is motivated by the need to analyze large braids when studying two-dimensional flows via the braiding of a large number of particle trajectories. Our approach is a generalization of Moussafir's technique for braids on the sphere. Previous methods for computing topological entropies include the Bestvina--Handel train-track algorithm and matrix representations of the braid group. However, the Bestvina--Handel algorithm quickly becomes computationally intractable for large braid words, and matrix methods give only lower bounds, which are often poor for large braids. Our method is computationally fast and appears to give exponential convergence towards the exact entropy. As an illustration we apply our approach to the braiding of both periodic and aperiodic trajectories in the sine flow. The efficiency of the method allows us to explore how much extra information about flow entropy is encoded in the braid as the number of trajectories becomes large.Comment: 19 pages, 44 figures. SIAM journal styl

Spatial and temporal patterns of land surface fluxes from remotely sensed surface temperatures within an

International audienceCharacterising the development of evapotranspiration through time is a difficult task, particularly when utilising remote sensing data, because retrieved information is often spatially dense, but temporally sparse. Techniques to expand these essentially instantaneous measures are not only limited, they are restricted by the general paucity of information describing the spatial distribution and temporal evolution of evaporative patterns. In a novel approach, temporal changes in land surface temperatures, derived from NOAA-AVHRR imagery and a generalised split-window algorithm, are used as a calibration variable in a simple land surface scheme (TOPUP) and combined within the Generalised Likelihood Uncertainty Estimation (GLUE) methodology, to provide estimates of areal evapotranspiration at the pixel scale. Such an approach offers an innovative means of transcending the patch or landscape scale of SVAT type models, to spatially distributed estimates of model output. The resulting spatial and temporal patterns of land surface fluxes and surface resistance are used to more fully understand the hydro-ecological trends observed across a study catchment in eastern Australia. The modelling approach is assessed by comparing predicted cumulative evapotranspiration values with surface fluxes determined from Bowen ratio systems and using auxiliary information such as in-situ soil moisture measurements and depth to groundwater to corroborate observed responses

Spatial and temporal patterns of land surface fluxes from remotely sensed surface temperatures within an uncertainty modelling framework

Characterising the development of evapotranspiration through time is a difficult task, particularly when utilising remote sensing data, because retrieved information is often spatially dense, but temporally sparse. Techniques to expand these essentially instantaneous measures are not only limited, they are restricted by the general paucity of information describing the spatial distribution and temporal evolution of evaporative patterns. In a novel approach, temporal changes in land surface temperatures, derived from NOAA-AVHRR imagery and a generalised split-window algorithm, are used as a calibration variable in a simple land surface scheme (TOPUP) and combined within the Generalised Likelihood Uncertainty Estimation (GLUE) methodology to provide estimates of areal evapotranspiration at the pixel scale. Such an approach offers an innovative means of transcending the patch or landscape scale of SVAT type models, to spatially distributed estimates of model output. The resulting spatial and temporal patterns of land surface fluxes and surface resistance are used to more fully understand the hydro-ecological trends observed across a study catchment in eastern Australia. The modelling approach is assessed by comparing predicted cumulative evapotranspiration values with surface fluxes determined from Bowen ratio systems and using auxiliary information such as in-situ soil moisture measurements and depth to groundwater to corroborate observed responses