On practical applicability of the Jarzynski relation in statistical mechanics: a pedagogical example

We suggest and discuss a simple model of an ideal gas under the piston to gain an insight into the workings of the Jarzynski identity connecting the average exponential of the work over the non-equilibrium trajectories with the equilibrium free energy. We show that the Jarzynski identity is valid for our system due to the very rapid molecules belonging to the tail of the Maxwell distribution. For the most interesting extreme, when the system volume is large, while the piston is moving with large speed (compared to thermal velocity) for a very short time, the necessary number of independent experimental runs to obtain a reasonable approximation for the free energy from averaging the non-equilibrium work grows exponentially with the system size.Comment: 15 pages, 7 figures, submitted to JP

Topologically Driven Swelling of a Polymer Loop

Numerical studies of the average size of trivially knotted polymer loops with no excluded volume are undertaken. Topology is identified by Alexander and Vassiliev degree 2 invariants. Probability of a trivial knot, average gyration radius, and probability density distributions as functions of gyration radius are generated for loops of up to N=3000 segments. Gyration radii of trivially knotted loops are found to follow a power law similar to that of self avoiding walks consistent with earlier theoretical predictions.Comment: 6 pages, 4 figures, submitted to PNAS (USA) in Feb 200

Investigation of passive flow control techniques to enhance the stall characteristics of a microlight aircraft

This report investigates the enhancement of aerodynamic stall characteristics of a Skyranger microlight aircraft by the use of passive flow control techniques, namely vortex generators and turbulators. Each flow control device is designed and scaled to application conditions. Force balance measurements and surface oil flow visualisation are carried out on a half-model of the microlight to further investigate the nature of the flow on the aircraft with and without the flow control devices. The results indicate a clear advantage to the use of turbulators compared with vortex generators. Turbulators increased the maximum lift coefficient by 2.8%, delayed the onset of stall by increasing the critical angle by 17.6% and reduced the drag penalty at both lower (pre-stall) and higher angles of attack by 8% compared to vortex generators. With vortex generators applied, the results indicated a delayed stall with an increase in the critical angle by 2% and a reduced drag penalty at higher angles of attack

Polymer translocation through a nanopore - a showcase of anomalous diffusion

The translocation dynamics of a polymer chain through a nanopore in the absence of an external driving force is analyzed by means of scaling arguments, fractional calculus, and computer simulations. The problem at hand is mapped on a one dimensional {\em anomalous} diffusion process in terms of reaction coordinate $s$ (i.e. the translocated number of segments at time $t$) and shown to be governed by an universal exponent $\alpha = 2/(2\nu+2-\gamma_1)$ whose value is nearly the same in two- and three-dimensions. The process is described by a {\em fractional} diffusion equation which is solved exactly in the interval $0 <s < N$ with appropriate boundary and initial conditions. The solution gives the probability distribution of translocation times as well as the variation with time of the statistical moments: $$, and $- < s(t)>^2$ which provide full description of the diffusion process. The comparison of the analytic results with data derived from extensive Monte Carlo (MC) simulations reveals very good agreement and proves that the diffusion dynamics of unbiased translocation through a nanopore is anomalous in its nature.Comment: 5 pages, 3 figures, accepted for publication in Phys. Rev.

Abundance of unknots in various models of polymer loops

A veritable zoo of different knots is seen in the ensemble of looped polymer chains, whether created computationally or observed in vitro. At short loop lengths, the spectrum of knots is dominated by the trivial knot (unknot). The fractional abundance of this topological state in the ensemble of all conformations of the loop of $N$ segments follows a decaying exponential form, $\sim \exp (-N/N_0)$, where $N_0$ marks the crossover from a mostly unknotted (ie topologically simple) to a mostly knotted (ie topologically complex) ensemble. In the present work we use computational simulation to look closer into the variation of $N_0$ for a variety of polymer models. Among models examined, $N_0$ is smallest (about 240) for the model with all segments of the same length, it is somewhat larger (305) for Gaussian distributed segments, and can be very large (up to many thousands) when the segment length distribution has a fat power law tail.Comment: 13 pages, 6 color figure

Residence Time Statistics for Normal and Fractional Diffusion in a Force Field

We investigate statistics of occupation times for an over-damped Brownian particle in an external force field. A backward Fokker-Planck equation introduced by Majumdar and Comtet describing the distribution of occupation times is solved. The solution gives a general relation between occupation time statistics and probability currents which are found from solutions of the corresponding problem of first passage time. This general relationship between occupation times and first passage times, is valid for normal Markovian diffusion and for non-Markovian sub-diffusion, the latter modeled using the fractional Fokker-Planck equation. For binding potential fields we find in the long time limit ergodic behavior for normal diffusion, while for the fractional framework weak ergodicity breaking is found, in agreement with previous results of Bel and Barkai on the continuous time random walk on a lattice. For non-binding potential rich physical behaviors are obtained, and classification of occupation time statistics is made possible according to whether or not the underlying random walk is recurrent and the averaged first return time to the origin is finite. Our work establishes a link between fractional calculus and ergodicity breaking.Comment: 12 page

HOSM Controller Using PI Sliding Manifold for an Integrated Active Control for Wheeled Vehicles

This study considers the design of a modified high-order sliding mode (HOSM) controller using a PI sliding surface to the attitude control of a ground vehicle. A robust-modified HOSM controller is derived, so that the lateral velocity and yaw rate tracks the desired trajectory despite the environment actions acting on the ground vehicle and parameter variations. The stability is guaranteed with Lyapunov's stability theorem function. The performance of the dynamic controllers is evaluated using the CarSim simulator considering a challenging double steer maneuver

The Energy Landscape, Folding Pathways and the Kinetics of a Knotted Protein

The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling approach, and the resulting potential energy surface is visualized by constructing disconnectivity graphs. Owing to topological constraints, the low-lying portion of the landscape consists of three distinct regions, corresponding to the native knotted state and to configurations where either the N- or C-terminus is not yet folded into the knot. The fastest folding pathways from denatured states exhibit early formation of the N-terminus portion of the knot and a rate-determining step where the C-terminus is incorporated. The low-lying minima with the N-terminus knotted and the C-terminus free therefore constitute an off-pathway intermediate for this model. The insertion of both the N- and C-termini into the knot occur late in the folding process, creating large energy barriers that are the rate limiting steps in the folding process. When compared to other protein folding proteins of a similar length, this system folds over six orders of magnitude more slowly.Comment: 19 page

Community Profiles: An Evaluation and Planning Tool for Neighborhood Systems and Environmental Change Efforts

Purpose: Latinos in the US experience health disparities in obesity and related disease outcomes. There is national recognition that modifiable risk factors are influenced by the places that people work, live and play. Latinos are more likely to live in areas with limited access to affordable healthy food and recreational facilities. Design: This paper describes the development and use of neighborhood profiles as a tool for (1) assessing neighborhood built environments and (2) planning for neighborhood-based efforts focused on systems and environmental change. Our neighborhood profiles united four diverse data sources: secondary data, observational assessments, neighborhood connector interviews and resident surveys. Subjects: Twelve mostly urban, largely Latino neighborhoods of high economic disparity in Pima County, Arizona were included. Analysis: Secondary data was analyzed to describe sociodemographic characteristics of neighborhoods, while observational assessments were used to quantify and qualify aspects of the built environment. Neighborhood surveys and connector interviews were analyzed using frequency distributions and content analysis. Results: Neighborhoods varied in healthy food availability and physical activity infrastructure. Overall, residents indicated that community gardens and healthy food options in local stores are priorities. Conclusion: Neighborhood profiles demonstrated potential as an evaluation and community-planning tool to assist communities to create healthy environments

GWmodelS: a standalone software to train geographically weighted models

With the recent increase in studies on spatial heterogeneity, geographically weighted (GW) models have become an essential set of local techniques, attracting a wide range of users from different domains. In this study, we demonstrate a newly developed standalone GW software, GWmodelS using a community-level house price data set for Wuhan, China. In detail, a number of fundamental GW models are illustrated, including GW descriptive statistics, basic and multiscale GW regression, and GW principle component analysis. Additionally, functionality in spatial data management and batch mapping are presented as essential supplementary activities for GW modeling. The software provides significant advantages in terms of a user-friendly graphical user interface, operational efficiency, and accessibility, which facilitate its usage for users from a wide range of domains