Elasticity of Stiff Polymer Networks

We study the elasticity of a two-dimensional random network of rigid rods (``Mikado model''). The essential features incorporated into the model are the anisotropic elasticity of the rods and the random geometry of the network. We show that there are three distinct scaling regimes, characterized by two distinct length scales on the elastic backbone. In addition to a critical rigidiy percolation region and a homogeneously elastic regime we find a novel intermediate scaling regime, where elasticity is dominated by bending deformations.Comment: 4 pages, 4 figure

Long-range effects in granular avalanching

We introduce a model for granular flow in a one-dimensional rice pile that incorporates rolling effects through a long-range rolling probability for the individual rice grains proportional to $r^{-\rho}$, $r$ being the distance traveled by a grain in a single topling event. The exponent $\rho$ controls the average rolling distance. We have shown that the crossover from power law to stretched exponential behaviors observed experimentally in the granular dynamics of rice piles can be well described as a long-range effect resulting from a change in the transport properties of individual grains. We showed that stretched exponential avalanche distributions can be associated with a long-range regime for $1<\rho<2$ where the average rolling distance grows as a power law with the system size, while power law distributions are associated with a short range regime for $\rho>2$, where the average rolling distance is independent of the system size.Comment: 5 pages, 3 figure

Ab Initio Study of Screw Dislocations in Mo and Ta: A new picture of plasticity in bcc transition metals

We report the first ab initio density-functional study of screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to the presently accepted picture based on continuum and interatomic potentials. Core energy scales in this new picture are in much better agreement with the Peierls energy barriers to dislocation motion suggested by experiments.Comment: 3 figures, 3 table

Switching between different vortex states in 2-dimensional easy-plane magnets due to an ac magnetic field

Using a discrete model of 2-dimensional easy-plane classical ferromagnets, we propose that a rotating magnetic field in the easy plane can switch a vortex from one polarization to the opposite one if the amplitude exceeds a threshold value, but the backward process does not occur. Such switches are indeed observed in computer simulations.Comment: 4 pages, 4 figures, submitted to Phys. Rev. Let

Open Science in Software Engineering

Open science describes the movement of making any research artefact available to the public and includes, but is not limited to, open access, open data, and open source. While open science is becoming generally accepted as a norm in other scientific disciplines, in software engineering, we are still struggling in adapting open science to the particularities of our discipline, rendering progress in our scientific community cumbersome. In this chapter, we reflect upon the essentials in open science for software engineering including what open science is, why we should engage in it, and how we should do it. We particularly draw from our experiences made as conference chairs implementing open science initiatives and as researchers actively engaging in open science to critically discuss challenges and pitfalls, and to address more advanced topics such as how and under which conditions to share preprints, what infrastructure and licence model to cover, or how do it within the limitations of different reviewing models, such as double-blind reviewing. Our hope is to help establishing a common ground and to contribute to make open science a norm also in software engineering.Comment: Camera-Ready Version of a Chapter published in the book on Contemporary Empirical Methods in Software Engineering; fixed layout issue with side-note

Slowly driven sandpile formation with granular mixtures

We introduce a one-dimensional sandpile model with $N$ different particle types and an infinitesimal driving rate. The parameters for the model are the N^2 critical slopes for one type of particle on top of another. The model is trivial when N=1, but for N=2 we observe four broad classes of sandpile structure in different regions of the parameter space. We describe and explain the behaviour of each of these classes, giving quantitative analysis wherever possible. The behaviour of sandpiles with N>2 essentially consists of combinations of these four classes. We investigate the model's robustness and highlight the key areas that any experiment designed to reproduce these results should focus on

Coarsening and Slow-Dynamics in Granular Compaction

We address the problem of the microscopic reorganization of a granular medium under a compaction process in the framework of Tetris-like models. We point out the existence of regions of spatial organization which we call domains, and study their time evolution. It turns out that after an initial transient, most of the activity of the system is concentrated on the boundaries between domains. One can then describe the compaction phenomenon as a coarsening process for the domains, and a progressive reduction of domain boundaries. We discuss the link between the coarsening process and the slow dynamics in the framework of a model of active walkers on active substrates.Comment: Revtex 4 pages, 4 figures, in press in PRL. More info http://axtnt3.phys.uniroma1.it/Tetri

Shear-banding in a lyotropic lamellar phase, Part 2: Temporal fluctuations

We analyze the temporal fluctuations of the flow field associated to a shear-induced transition in a lyotropic lamellar phase: the layering transition of the onion texture. In the first part of this work [Salmon et al., submitted to Phys. Rev. E], we have evidenced banded flows at the onset of this shear-induced transition which are well accounted for by the classical picture of shear-banding. In the present paper, we focus on the temporal fluctuations of the flow field recorded in the coexistence domain. These striking dynamics are very slow (100--1000s) and cannot be due to external mechanical noise. Using velocimetry coupled to structural measurements, we show that these fluctuations are due to a motion of the interface separating the two differently sheared bands. Such a motion seems to be governed by the fluctuations of $\sigma^\star$, the local stress at the interface between the two bands. Our results thus provide more evidence for the relevance of the classical mechanical approach of shear-banding even if the mechanism leading to the fluctuations of $\sigma^\star$ remains unclear

Entanglement Measures for Single- and Multi-Reference Correlation Effects

Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to the correlation energy can facilitate the decision regarding the optimum quantum chemical method of choice. We propose concepts from quantum information theory as orbital entanglement measures that allow us to evaluate the single- and multi-reference character of any molecular structure in a given orbital basis set. By studying these measures we can detect possible artifacts of small active spaces.Comment: 14 pages, 4 figure

Introduction to protein folding for physicists

The prediction of the three-dimensional native structure of proteins from the knowledge of their amino acid sequence, known as the protein folding problem, is one of the most important yet unsolved issues of modern science. Since the conformational behaviour of flexible molecules is nothing more than a complex physical problem, increasingly more physicists are moving into the study of protein systems, bringing with them powerful mathematical and computational tools, as well as the sharp intuition and deep images inherent to the physics discipline. This work attempts to facilitate the first steps of such a transition. In order to achieve this goal, we provide an exhaustive account of the reasons underlying the protein folding problem enormous relevance and summarize the present-day status of the methods aimed to solving it. We also provide an introduction to the particular structure of these biological heteropolymers, and we physically define the problem stating the assumptions behind this (commonly implicit) definition. Finally, we review the 'special flavor' of statistical mechanics that is typically used to study the astronomically large phase spaces of macromolecules. Throughout the whole work, much material that is found scattered in the literature has been put together here to improve comprehension and to serve as a handy reference.Comment: 53 pages, 18 figures, the figures are at a low resolution due to arXiv restrictions, for high-res figures, go to http://www.pabloechenique.co