The incomplete beta function law for parallel tempering sampling of classical canonical systems

We show that the acceptance probability for swaps in the parallel tempering Monte Carlo method for classical canonical systems is given by a universal function that depends on the average statistical fluctuations of the potential and on the ratio of the temperatures. The law, called the incomplete beta function law, is valid in the limit that the two temperatures involved in swaps are close to one another. An empirical version of the law, which involves the heat capacity of the system, is developed and tested on a Lennard-Jones cluster. We argue that the best initial guess for the distribution of intermediate temperatures for parallel tempering is a geometric progression and we also propose a technique for the computation of optimal temperature schedules. Finally, we demonstrate that the swap efficiency of the parallel tempering method for condensed-phase systems decreases naturally to zero at least as fast as the inverse square root of the dimensionality of the physical system.Comment: 11 pages, 4 figures; minor changes; to appear in J. Chem. Phy

Possible solution to the riddle of HD 82943 multiplanet system: the three-planet resonance 1:2:5?

We carry out a new analysis of the published radial velocity data for the planet-hosting star HD82943. We include the recent Keck/HIRES measurements as well as the aged but much more numerous CORALIE data. We find that the CORALIE radial velocity measurements are polluted by a systematic annual variation which affected the robustness of many previous results. We show that after purging this variation, the residuals still contain a clear signature of an additional $\sim 1100$ days periodicity. The latter variation leaves significant hints in all three independent radial velocity subsets that we analysed: the CORALIE data, the Keck data acquired prior to a hardware upgrade, and the Keck data taken after the upgrade. We mainly treat this variation as a signature of a third planet in the system, although we cannot rule out other interpretations, such as long-term stellar activity. We find it easy to naturally obtain a stable three-planet radial-velocity fit close to the three-planet mean-motion resonance 1:2:5, with the two main planets (those in the 1:2 resonance) in an aligned apsidal corotation. The dynamical status of the third planet is still uncertain: it may reside in as well as slightly out of the 5:2 resonance. We obtain the value of $\sim 1075$ days for its orbital period and of $\sim 0.3 M_{\rm Jup}$ for its minimum mass, while the eccentric parameters are uncertain.Comment: 18 pages, 5 tables, 18 figures; accepted for publication in MNRA

Evolutionary approach for finding the atomic structure of steps on stable crystal surfaces

The problem addressed here can be concisely formulated as follows: Given a stable surface orientation with a known reconstruction and given a direction in the plane of this surface, find the atomic structure of the steps oriented along that direction. We report a robust and generally applicable variable-number genetic algorithm for determining the atomic configuration of crystallographic steps, and exemplify it by finding structures for several types of monatomic steps on Si(114)-2×1. We show that the location of the step edge with respect to the terrace reconstructions, the step width (number of atoms), and the positions of the atoms in the step region can all be simultaneously determined

The stability of strained H:Si(105) and H:Ge(105) surfaces

We report atomic scale studies of the effect of applied strain and hydrogen environment on the reconstructions of the (105) Si and Ge surfaces. Surface energy calculations for monohydride-terminated (001) and (105) reconstructions reveal that the recently established single-height rebonded model is unstable not only with respect to (001), but also in comparison to other monohydride (105) structures. This finding persists for both Si and Ge, for applied biaxial strains from -4% to 4%, and for nearly the entire relevant domain of the chemical potential of hydrogen, thus providing an explanation for the recently observed H-induced destabilization of the Ge(105) surface

Psychological profile of laryngectomized patients

Larynx cancer is one of the most susceptible form of cancer susceptible to induce alteration of the patient’s psychological profile due to the social role that the larynx has in communication. Oral communication is severely impaired even after voice rehabilitation of the laryngectomized patients, so that the social rehabilitation is somewhat not only a medical but also a social problem. The psychological profile of these patients is altered in a way that dealing with the disease is sometimes neglected and the interaction with the outside world in terms of oral communication is totally abandoned. The starting point for depression in these cases is the acknowledgement of the disease and is, in some cases, the entire medical environment. Facial scarring, the inability to verbally interact with other human, as well as the presence of the tracheostoma, are all deciding factors in the presence of a low self-esteem for these particular patients. Psychological counseling is a mandatory approach for laryngectomized patients, in order to improve their ability to cope with cancer and providing better recovery chances

Modeling Tiered Pricing in the Internet Transit Market

ISPs are increasingly selling "tiered" contracts, which offer Internet connectivity to wholesale customers in bundles, at rates based on the cost of the links that the traffic in the bundle is traversing. Although providers have already begun to implement and deploy tiered pricing contracts, little is known about how such pricing affects ISPs and their customers. While contracts that sell connectivity on finer granularities improve market efficiency, they are also more costly for ISPs to implement and more difficult for customers to understand. In this work we present two contributions: (1) we develop a novel way of mapping traffic and topology data to a demand and cost model; and (2) we fit this model on three large real-world networks: an European transit ISP, a content distribution network, and an academic research network, and run counterfactuals to evaluate the effects of different pricing strategies on both the ISP profit and the consumer surplus. We highlight three core findings. First, ISPs gain most of the profits with only three or four pricing tiers and likely have little incentive to increase granularity of pricing even further. Second, we show that consumer surplus follows closely, if not precisely, the increases in ISP profit with more pricing tiers. Finally, the common ISP practice of structuring tiered contracts according to the cost of carrying the traffic flows (e.g., offering a discount for traffic that is local) can be suboptimal and that dividing contracts based on both traffic demand and the cost of carrying it into only three or four tiers yields near-optimal profit for the ISP

Multiscale entanglement in ring polymers under spherical confinement

The interplay of geometrical and topological entanglement in semiflexible knotted polymer rings confined inside a spherical cavity is investigated using advanced numerical methods. By using stringent and robust algorithms for locating knots, we characterize how the knot length lk depends on the ring contour length, Lc and the radius of the confining sphere, Rc . In the no- and strong- confinement cases we observe weak knot localization and complete knot delocalization, respectively. We show that the complex interplay of lk, Lc and Rc that seamlessly bridges these two limits can be encompassed by a simple scaling argument based on deflection theory. The same argument is used to rationalize the multiscale character of the entanglement that emerges with increasing confinement.Comment: 9 pages 9 figure