DC Conductance of Molecular Wires

Inspired by the work of Kamenev and Kohn, we present a general discussion of the two-terminal dc conductance of molecular devices within the framework of Time Dependent Current-Density Functional Theory. We derive a formally exact expression for the adiabatic conductance and we discuss the dynamical corrections. For junctions made of long molecular chains that can be either metallic or insulating, we derive the exact asymptotic behavior of the adiabatic conductance as a function of the chain's length. Our results follow from the analytic structure of the bands of a periodic molecular chain and a compact expression for the Green's functions. In the case of an insulating chain, not only do we obtain the exponentially decaying factors, but also the corresponding amplitudes, which depend very sensitively on the electronic properties of the contacts. We illustrate the theory by a numerical study of a simple insulating structure connected to two metallic jellium leads.Comment: 15 pgs and 9 figure

Symmetry breaking in the self-consistent Kohn-Sham equations

The Kohn-Sham (KS) equations determine, in a self-consistent way, the particle density of an interacting fermion system at thermal equilibrium. We consider a situation when the KS equations are known to have a unique solution at high temperatures and this solution is a uniform particle density. We show that, at zero temperature, there are stable solutions that are not uniform. We provide the general principles behind this phenomenon, namely the conditions when it can be observed and how to construct these non-uniform solutions. Two concrete examples are provided, including fermions on the sphere which are shown to crystallize in a structure that resembles the C$_{60}$ molecule.Comment: a few typos eliminate

Nearsightedness of Electronic Matter in One Dimension

The concept of nearsightedeness of electronic matter (NEM) was introduced by W. Kohn in 1996 as the physical principal underlining Yang's electronic structure alghoritm of divide and conquer. It describes the fact that, for fixed chemical potential, local electronic properties at a point $r$, like the density $n(r)$, depend significantly on the external potential $v$ only at nearby points. Changes $\Delta v$ of that potential, {\it no matter how large}, beyond a distance $\textsf{R}$, have {\it limited} effects on local electronic properties, which tend to zero as function of $\textsf{R}$. This remains true even if the changes in the external potential completely surrounds the point $r$. NEM can be quantitatively characterized by the nearsightedness range, $\textsf{\textsf{R}}(r,\Delta n)$, defined as the smallest distance from $r$, beyond which {\it any} change of the external potential produces a density change, at $r$, smaller than a given $\Delta n$. The present paper gives a detailed analysis of NEM for periodic metals and insulators in 1D and includes sharp, explicit estimates of the nearsightedness range. Since NEM involves arbitrary changes of the external potential, strong, even qualitative changes can occur in the system, such as the discretization of energy bands or the complete filling of the insulating gap of an insulator with continuum spectrum. In spite of such drastic changes, we show that $\Delta v$ has only a limited effect on the density, which can be quantified in terms of simple parameters of the unperturbed system.Comment: 10 pages, 9 figure

A workload-aware energy model for virtual machine migration

Energy consumption has become a significant issue for data centres. Assessing their consumption requires precise and detailed models. In the latter years, many models have been proposed, but most of them either do not consider energy consumption related to virtual machine migration or do not consider the variation of the workload on (1) the virtual machines (VM) and (2) the physical machines hosting the VMs. In this paper, we show that omitting migration and workload variation from the models could lead to misleading consumption estimates. Then, we propose a new model for data centre energy consumption that takes into account the previously omitted model parameters and provides accurate energy consumption predictions for paravirtualised virtual machines running on homogeneous hosts. The new model's accuracy is evaluated with a comprehensive set of operational scenarios. With the use of these scenarios we present a comparative analysis of our model with similar state-of-the-art models for energy consumption of VM Migration, showing an improvement up to 24% in accuracy of prediction. © 2015 IEEE

Correcting the polarization effect in low frequency Dielectric Spectroscopy

We demonstrate a simple and robust methodology for measuring and analyzing the polarization impedance appearing at interface between electrodes and ionic solutions, in the frequency range from 1 to $10^6$ Hz. The method assumes no particular behavior of the electrode polarization impedance and it only makes use of the fact that the polarization effect dies out with frequency. The method allows a direct and un-biased measurement of the polarization impedance, whose behavior with the applied voltages and ionic concentration is methodically investigated. Furthermore, based on the previous findings, we propose a protocol for correcting the polarization effect in low frequency Dielectric Spectroscopy measurements of colloids. This could potentially lead to the quantitative resolution of the $\alpha$-dispersion regime of live cells in suspension

An architecture to stimulate behavioral development of academic cloud users

Academic cloud infrastructures are constructed and maintained so they minimally constrain their users. Since they are free and do not limit usage patterns, academics developed such behavior that jeopardizes fair and flexible resource provisioning. For efficiency, related work either explicitly limits user access to resources, or introduce automatic rationing techniques. Surprisingly, the root cause (i.e., the user behavior) is disregarded by these approaches. This article compares academic cloud user behavior to its commercial equivalent. We deduce, that academics should behave like commercial cloud users to relieve resource provisioning. To encourage commercial like behavior, we propose an architectural extension to existing academic infrastructure clouds. First, every user's energy consumption and efficiency is monitored. Then, energy efficiency based leader boards are used to ignite competition between academics and reveal their worst practices. Leader boards are not sufficient to completely change user behavior. Thus, we introduce engaging options that encourage academics to delay resource requests and prefer resources more suitable for the infrastructure's internal provisioning. Finally, we evaluate our extensions via a simulation using real life academic resource request traces. We show a potential resource utilization reduction (by the factor of at most 2.6) while maintaining the unlimited nature of academic clouds. © 2014 Elsevier Inc

Fostering energy-awareness in simulations behind scientific workflow management systems

© 2014 IEEE.Scientific workflow management systems face a new challenge in the era of cloud computing. The past availability of rich information regarding the state of the used infrastructures is gone. Thus, organising virtual infrastructures so that they not only support the workflow being executed, but also optimise for several service level objectives (e.g., Maximum energy consumption limit, cost, reliability, availability) become dependent on good infrastructure modelling and prediction techniques. While simulators have been successfully used in the past to aid research on such workflow management systems, the currently available cloud related simulation toolkits suffer form several issues (e.g., Scalability, narrow scope) that hinder their applicability. To address this need, this paper introduces techniques for unifying two existing simulation toolkits by first analysing the problems with the current simulators, and then by illustrating the problems faced by workflow systems through the example of the ASKALON environment. Finally, we show how the unification of the selected simulators improve on the the discussed problems

Fostering energy-awareness in scientific cloud users

© 2014 IEEE.Academic cloud infrastructures are constructed and maintained so they minimally constrain their users. Since they are free and do not limit usage patterns, academics developed such behavior that jeopardizes fair and flexible resource provisioning. For efficiency, related work either explicitly limits user access to resources, or introduces automatic rationing techniques. Surprisingly, the root cause (i.e., the user behavior) is disregarded by these approaches. This paper compares academic cloud user behavior to its commercial equivalent. We deduce, that academics should behave like commercial cloud users to relieve resource provisioning. To encourage this behavior, we propose an architectural extension to academic infrastructure clouds. We evaluate our extension via a simulation using real life academic resource request traces. We show a potential resource usage reduction while maintaining the unlimited nature of academic clouds

OpenSwarm: an event-driven embedded operating system for miniature robots

This paper presents OpenSwarm, a lightweight easy-to-use open-source operating system. To our knowledge, it is the first operating system designed for and deployed on miniature robots. OpenSwarm operates directly on a robot’s microcontroller. It has a memory footprint of 1 kB RAM and 12 kB ROM. OpenSwarm enables a robot to execute multiple processes simultaneously. It provides a hybrid kernel that natively supports preemptive and cooperative scheduling, making it suitable for both computationally intensive and swiftly responsive robotics tasks. OpenSwarm provides hardware abstractions to rapidly develop and test platformindependent code. We show how OpenSwarm can be used to solve a canonical problem in swarm robotics—clustering a collection of dispersed objects. We report experiments, conducted with five e-puck mobile robots, that show that an OpenSwarm implementation performs as good as a hardware-near implementation. The primary goal of OpenSwarm is to make robots with severely constrained hardware more accessible, which may help such systems to be deployed in real-world applications