Optimized Forest-Ruth- and Suzuki-like algorithms for integration of motion in many-body systems

An approach is proposed to improve the efficiency of fourth-order algorithms for numerical integration of the equations of motion in molecular dynamics simulations. The approach is based on an extension of the decomposition scheme by introducing extra evolution subpropagators. The extended set of parameters of the integration is then determined by reducing the norm of truncation terms to a minimum. In such a way, we derive new explicit symplectic Forest-Ruth- and Suzuki-like integrators and present them in time-reversible velocity and position forms. It is proven that these optimized integrators lead to the best accuracy in the calculations at the same computational cost among all possible algorithms of the fourth order from a given decomposition class. It is shown also that the Forest-Ruth-like algorithms, which are based on direct decomposition of exponential propagators, provide better optimization than their Suzuki-like counterparts which represent compositions of second-order schemes. In particular, using our optimized Forest-Ruth-like algorithms allows us to increase the efficiency of the computations more than in ten times with respect to that of the original integrator by Forest and Ruth, and approximately in five times with respect to Suzuki's approach. The theoretical predictions are confirmed in molecular dynamics simulations of a Lennard-Jones fluid. A special case of the optimization of the proposed Forest-Ruth-like algorithms to celestial mechanics simulations is considered as well.Comment: 12 pages, 3 figures; submitted to Computer Physics Communication

Domain Growth and Finite-Size-Scaling in the Kinetic Ising Model

This paper describes the application of finite-size scaling concepts to domain growth in systems with a non-conserved order parameter. A finite-size scaling ansatz for the time-dependent order parameter distribution function is proposed, and tested with extensive Monte-Carlo simulations of domain growth in the 2-D spin-flip kinetic Ising model. The scaling properties of the distribution functions serve to elucidate the configurational self-similarity that underlies the dynamic scaling picture. Moreover, it is demonstrated that the application of finite-size-scaling techniques facilitates the accurate determination of the bulk growth exponent even in the presence of strong finite-size effects, the scale and character of which are graphically exposed by the order parameter distribution function. In addition it is found that one commonly used measure of domain size--the scaled second moment of the magnetisation distribution--belies the full extent of these finite-size effects.Comment: 13 pages, Latex. Figures available on request. Rep #9401

Dynamics of an Unbounded Interface Between Ordered Phases

We investigate the evolution of a single unbounded interface between ordered phases in two-dimensional Ising ferromagnets that are endowed with single-spin-flip zero-temperature Glauber dynamics. We examine specifically the cases where the interface initially has either one or two corners. In both examples, the interface evolves to a limiting self-similar form. We apply the continuum time-dependent Ginzburg-Landau equation and a microscopic approach to calculate the interface shape. For the single corner system, we also discuss a correspondence between the interface and the Young tableau that represents the partition of the integers.Comment: 9 pages, 11 figures, 2-column revtex4 format. V2: references added and discussion section expanded slightly. Final version for PRE. V3: A few small additional editorial change

Monte Carlo simulation of subsurface ordering kinetics in an fcc-alloy model

Within the atom-vacancy exchange mechanism in a nearest-neighbor interaction model we investigate the kinetics of surface-induced ordering processes close to the (001) surface of an fcc A_3B-alloy. After a sudden quench into the ordered phase with a final temperature above the ordering spinodal, T_f > T_sp, the early time kinetics is dominated by a segregation front which propagates into the bulk with nearly constant velocity. Below the spinodal, T_f < T_sp, motion of the segregation wave reflects a coarsening process which appears to be slower than predicted by the Lifschitz-Allen-Cahn law. In addition, in the front-penetrated region lateral growth differs distinctly from perpendicular growth, as a result of the special structure of antiphase boundaries near the surface. Our results are compared with recent experiments on the subsurface ordering kinetics at Cu_3Au (001).Comment: 10 pages, 9 figures, submitted to Phys. Rev. B, in prin

Sporting embodiment: sports studies and the (continuing) promise of phenomenology

Whilst in recent years sports studies have addressed the calls ‘to bring the body back in’ to theorisations of sport and physical activity, the ‘promise of phenomenology’ remains largely under-realised with regard to sporting embodiment. Relatively few accounts are grounded in the ‘flesh’ of the lived sporting body, and phenomenology offers a powerful framework for such analysis. A wide-ranging, multi-stranded, and interpretatively contested perspective, phenomenology in general has been taken up and utilised in very different ways within different disciplinary fields. The purpose of this article is to consider some selected phenomenological threads, key qualities of the phenomenological method, and the potential for existentialist phenomenology in particular to contribute fresh perspectives to the sociological study of embodiment in sport and exercise. It offers one way to convey the ‘essences’, corporeal immediacy and textured sensuosity of the lived sporting body. The use of Interpretative Phenomenological Analysis (IPA) is also critically addressed. Key words: phenomenology; existentialist phenomenology; interpretative phenomenological analysis (IPA); sporting embodiment; the lived-body; Merleau-Pont

Topological Defects, Orientational Order, and Depinning of the Electron Solid in a Random Potential

We report on the results of molecular dynamics simulation (MD) studies of the classical two-dimensional electron crystal in the presence disorder. Our study is motivated by recent experiments on this system in modulation doped semiconductor systems in very strong magnetic fields, where the magnetic length is much smaller than the average interelectron spacing $a_0$, as well as by recent studies of electrons on the surface of helium. We investigate the low temperature state of this system using a simulated annealing method. We find that the low temperature state of the system always has isolated dislocations, even at the weakest disorder levels investigated. We also find evidence for a transition from a hexatic glass to an isotropic glass as the disorder is increased. The former is characterized by quasi-long range orientational order, and the absence of disclination defects in the low temperature state, and the latter by short range orientational order and the presence of these defects. The threshold electric field is also studied as a function of the disorder strength, and is shown to have a characteristic signature of the transition. Finally, the qualitative behavior of the electron flow in the depinned state is shown to change continuously from an elastic flow to a channel-like, plastic flow as the disorder strength is increased.Comment: 31 pages, RevTex 3.0, 15 figures upon request, accepted for publication in Phys. Rev. B., HAF94MD

Simulations of the Static Friction Due to Adsorbed Molecules

The static friction between crystalline surfaces separated by a molecularly thin layer of adsorbed molecules is calculated using molecular dynamics simulations. These molecules naturally lead to a finite static friction that is consistent with macroscopic friction laws. Crystalline alignment, sliding direction, and the number of adsorbed molecules are not controlled in most experiments and are shown to have little effect on the friction. Temperature, molecular geometry and interaction potentials can have larger effects on friction. The observed trends in friction can be understood in terms of a simple hard sphere model.Comment: 13 pages, 13 figure

A dominant social comparison heuristic unites alternative mechanisms for the evolution of indirect reciprocity

Cooperation is a fundamental human trait but our understanding of how it functions remains incomplete. Indirect reciprocity is a particular case in point, where one-shot donations are made to unrelated beneficiaries without any guarantee of payback. Existing insights are largely from two independent perspectives: i) individual-level cognitive behaviour in decision making, and ii) identification of conditions that favour evolution of cooperation. We identify a fundamental connection between these two areas by examining social comparison as a means through which indirect reciprocity can evolve. Social comparison is well established as an inherent human disposition through which humans navigate the social world by self-referential evaluation of others. Donating to those that are at least as reputable as oneself emerges as a dominant heuristic, which represents aspirational homophily. This heuristic is found to be implicitly present in the current knowledge of conditions that favour indirect reciprocity. The effective social norms for updating reputation are also observed to support this heuristic. We hypothesise that the cognitive challenge associated with social comparison has contributed to cerebral expansion and the disproportionate human brain size, consistent with the social complexity hypothesis. The findings have relevance for the evolution of autonomous systems that are characterised by one-shot interactions

Observing Supermassive Black Holes across cosmic time: from phenomenology to physics

In the last decade, a combination of high sensitivity, high spatial resolution observations and of coordinated multi-wavelength surveys has revolutionized our view of extra-galactic black hole (BH) astrophysics. We now know that supermassive black holes reside in the nuclei of almost every galaxy, grow over cosmological times by accreting matter, interact and merge with each other, and in the process liberate enormous amounts of energy that influence dramatically the evolution of the surrounding gas and stars, providing a powerful self-regulatory mechanism for galaxy formation. The different energetic phenomena associated to growing black holes and Active Galactic Nuclei (AGN), their cosmological evolution and the observational techniques used to unveil them, are the subject of this chapter. In particular, I will focus my attention on the connection between the theory of high-energy astrophysical processes giving rise to the observed emission in AGN, the observable imprints they leave at different wavelengths, and the methods used to uncover them in a statistically robust way. I will show how such a combined effort of theorists and observers have led us to unveil most of the SMBH growth over a large fraction of the age of the Universe, but that nagging uncertainties remain, preventing us from fully understating the exact role of black holes in the complex process of galaxy and large-scale structure formation, assembly and evolution.Comment: 46 pages, 21 figures. This review article appears as a chapter in the book: "Astrophysical Black Holes", Haardt, F., Gorini, V., Moschella, U and Treves A. (Eds), 2015, Springer International Publishing AG, Cha

Update on the correlation of the highest energy cosmic rays with nearby extragalactic matter

Data collected by the Pierre Auger Observatory through 31 August 2007 showed evidence for anisotropy in the arrival directions of cosmic rays above the Greisen-Zatsepin-Kuz'min energy threshold, \nobreak{$6\times 10^{19}$eV}. The anisotropy was measured by the fraction of arrival directions that are less than $3.1^\circ$ from the position of an active galactic nucleus within 75 Mpc (using the V\'eron-Cetty and V\'eron $12^{\rm th}$ catalog). An updated measurement of this fraction is reported here using the arrival directions of cosmic rays recorded above the same energy threshold through 31 December 2009. The number of arrival directions has increased from 27 to 69, allowing a more precise measurement. The correlating fraction is $(38^{+7}_{-6})$, compared with $21$ expected for isotropic cosmic rays. This is down from the early estimate of $(69^{+11}_{-13})$. The enlarged set of arrival directions is examined also in relation to other populations of nearby extragalactic objects: galaxies in the 2 Microns All Sky Survey and active galactic nuclei detected in hard X-rays by the Swift Burst Alert Telescope. A celestial region around the position of the radiogalaxy Cen A has the largest excess of arrival directions relative to isotropic expectations. The 2-point autocorrelation function is shown for the enlarged set of arrival directions and compared to the isotropic expectation.Comment: Accepted for publication in Astroparticle Physics on 31 August 201