552 research outputs found
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 , 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
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
Everyday self-defence: Hollaback narratives, habitus and resisting street harassment
Street harassment is recognised as an ‘everyday’ form of violence against women. Influenced by contemporary sociologies of everyday life, this article examines women responses to street harassment, drawing on over 500 first person narratives submitted to the website of Hollaback London. The narrative structure highlights women’s actions, which (like street harassment) have generally been considered inconsequential. Quantitative content analysis reveals the extent and variety of strategies employed by women, including speaking back, calling on others for help, physically fighting-back, walking away and an array of ‘small’, everyday actions and gestures that aim to resist harassment. I argue that these responses comprise everyday self-defence practice. Furthermore, the notion of narrative habitus is employed to argue that Hollaback narratives do not just describe harassment, but that reading narratives can generate dispositions for self-defence. Narrative analysis reveals the way that satire is employed to make space for women’s successful self-defence. I argue that Hollaback narratives do not just offer storylines or scripts for resisting street harassment but foster a style for doing so. Analysis considers the limits to narratively motivated self-defence. This research demonstrates that, in order to ‘see’ women’s resistance, we need to pay close attention to the everyday as the site of both gendered oppression and moments of liberation
Health inequalities, fundamental causes and power:Towards the practice of good theory
Reducing health inequalities remains a challenge for policy makers across the world. Beginning from Lewin’s famous dictum that “there is nothing as practical as a good theory”, this paper begins from an appreciative discussion of ‘fundamental cause theory’, emphasizing the elegance of its theoretical encapsulation of the challenge, the relevance of its critical focus for action, and its potential to support the practical mobilisation of knowledge in generating change. Moreover, it is argued that recent developments in the theory, provide an opportunity for further theoretical development focused more clearly on the concept of power (Dickie et al. 2015). A critical focus on power as the essential element in maintaining, increasing or reducing social and economic inequalities – including health inequalities – can both enhance the coherence of the theory, and also enhance the capacity to challenge the roots of health inequalities at different levels and scales. This paper provides an initial contribution by proposing a framework to help to identify the most important sources, forms and positions of power, as well as the social spaces in which they operate. Subsequent work could usefully test, elaborate and adapt this framework, or indeed ultimately replace it with something better, to help focus actions to reduce inequalities
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