How to mesh up Ewald sums (I): A theoretical and numerical comparison of various particle mesh routines

Standard Ewald sums, which calculate e.g. the electrostatic energy or the force in periodically closed systems of charged particles, can be efficiently speeded up by the use of the Fast Fourier Transformation (FFT). In this article we investigate three algorithms for the FFT-accelerated Ewald sum, which attracted a widespread attention, namely, the so-called particle-particle-particle-mesh (P3M), particle mesh Ewald (PME) and smooth PME method. We present a unified view of the underlying techniques and the various ingredients which comprise those routines. Additionally, we offer detailed accuracy measurements, which shed some light on the influence of several tuning parameters and also show that the existing methods -- although similar in spirit -- exhibit remarkable differences in accuracy. We propose combinations of the individual components, mostly relying on the P3M approach, which we regard as most flexible.Comment: 18 pages, 8 figures included, revtex styl

How Close to Two Dimensions Does a Lennard-Jones System Need to Be to Produce a Hexatic Phase?

We report on a computer simulation study of a Lennard-Jones liquid confined in a narrow slit pore with tunable attractive walls. In order to investigate how freezing in this system occurs, we perform an analysis using different order parameters. Although some of the parameters indicate that the system goes through a hexatic phase, other parameters do not. This shows that to be certain whether a system has a hexatic phase, one needs to study not only a large system, but also several order parameters to check all necessary properties. We find that the Binder cumulant is the most reliable one to prove the existence of a hexatic phase. We observe an intermediate hexatic phase only in a monolayer of particles confined such that the fluctuations in the positions perpendicular to the walls are less then 0.15 particle diameters, i. e. if the system is practically perfectly 2d

The free rigid body dynamics: generalized versus classic

In this paper we analyze the normal forms of a general quadratic Hamiltonian system defined on the dual of the Lie algebra $\mathfrak{o}(K)$ of real $K$ - skew - symmetric matrices, where $K$ is an arbitrary $3\times 3$ real symmetric matrix. A consequence of the main results is that any first-order autonomous three-dimensional differential equation possessing two independent quadratic constants of motion which admits a positive/negative definite linear combination, is affinely equivalent to the classical "relaxed" free rigid body dynamics with linear controls.Comment: 12 page

Taking the Journal to the Digital Age

Editor\u27s introduction and comments to Spring 2016, volume 53, issue 1 of Speaker & Gavel

A Note from the Editor

A note from the editor of Speaker & Gavel, Todd Holm for volume 58, issue 1, 2022

Editor\u27s Note

Editor\u27s note by Todd Holm from volume 52, issue 2 of Speaker & Gavel

The Teaching of Creativity: Process, Product, Environment, and Assessment

Teaching creativity is an issue gaining more attention. Businesses and universities alike are looking for ways to promote creative and innovative thinking. As universities look for ways to teach and assess creativity, interscholastic speech and debate competition should be held up as a model for such efforts. Through a combination of iterative performances, the mastering of domain knowledge, an environment that encourages/rewards creativity, and feedback based on the Consensual Assessment Technique, forensics offers an ideal environment for students to learn the process of developing creative products