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

Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field

We report a study of dynamic cracking in a silicon single crystal in which the ReaxFF reactive force field is used for several thousand atoms near the crack tip, while more than 100 000 atoms are described with a nonreactive force field. ReaxFF is completely derived from quantum mechanical calculations of simple silicon systems without any empirical parameters. Our results reproduce experimental observations of fracture in silicon including changes in crack dynamics for different crack orientations

Threshold Crack Speed Controls Dynamical Fracture of Silicon Single Crystals

Fracture experiments of single silicon crystals reveal that after the critical fracture load is reached, the crack speed jumps from zero to [approximate]2 km/sec, indicating that crack motion at lower speeds is forbidden. This contradicts classical continuum fracture theories predicting a continuously increasing crack speed with increasing load. Here we show that this threshold crack speed may be due to a localized phase transformation of the silicon lattice from 6-membered rings to a 5–7 double ring at the crack tip

Magnon-driven quantum-dot heat engine

We investigate a heat- to charge-current converter consisting of a single-level quantum dot coupled to two ferromagnetic metals and one ferromagnetic insulator held at different temperatures. We demonstrate that this nano engine can act as an optimal heat to spin-polarized charge current converter in an antiparallel geometry, while it acts as a heat to pure spin current converter in the parallel case. We discuss the maximal output power of the device and its efficiency.Comment: 6 pages, 4 figures, published version, selected as Editor's choic

Acoustic oscillations in solar and stellar flaring loops

Evolution of a coronal loop in response to an impulsive energy release is numerically modelled. It is shown that the loop density evolution curves exhibit quasi-periodic perturbations with the periods given approximately by the ratio of the loop length to the average sound speed, associated with the second standing harmonics of an acoustic wave. The density perturbations have a maximum near the loop apex. The corresponding field-aligned flows have a node near the apex. We suggest that the quasi-periodic pulsations with periods in the range 10-300 s, frequently observed in flaring coronal loops in the radio, visible light and X-ray bands, may be produced by the second standing harmonic of the acoustic mode

X-ray Spectral Signatures of the Photon Bubble Model for Ultraluminous X-ray Sources

The nature of ultraluminous X-ray sources in nearby galaxies is one of the major open questions in modern X-ray astrophysics. One possible explanation for these objects is an inhomogeneous, radiation dominated accretion disk around a $\sim 10 M_{\odot}$ black hole -- the so-called ``photon bubble'' model. While previous studies of this model have focused primarily on its radiation-hydrodynamics aspects, in this paper, we provide an analysis of its X-ray spectral (continuum and possible edge and line) characteristics. Compton reflection between high and low density regions in the disk may provide the key to distinguishing this model from others, such as accretion onto an intermediate mass black hole. We couple a Monte Carlo/Fokker-Planck radiation transport code with the XSTAR code for reflection to simulate the photon spectra produced in a photon bubble model for ULXs. We find that reflection components tend to be very weak and in most cases not observable, and make predictions for the shape of the high-energy Comptonizing spectra. In many cases the Comptonization dominates the spectra even down to $\sim$ a few keV. In one simulation, a \sim 9 \kev feature was found, which may be considered a signature of photon bubbles in ULXs; furthermore, we make predictions of high energy power-laws which may be observed by future instruments.Comment: Accepted for publication in the Astrophysical Journa

Scaling laws of solar and stellar flares

In this study we compile for the first time comprehensive data sets of solar and stellar flare parameters, including flare peak temperatures T_p, flare peak volume emission measures EM_p, and flare durations t_f from both solar and stellar data, as well as flare length scales L from solar data. Key results are that both the solar and stellar data are consistent with a common scaling law of EM_p ~ T_p^4.7, but the stellar flares exhibit ~250 times higher emission measures (at the same flare peak temperature). For solar flares we observe also systematic trends for the flare length scale L(T_p) ~ T_p^0.9 and the flare duration t_F(T_p) ~ T_p^0.9 as a function of the flare peak temperature. Using the theoretical RTV scaling law and the fractal volume scaling observed for solar flares, i.e., V(L) ~ L^2.4, we predict a scaling law of EM_p ~ T_p^4.3, which is consistent with observations, and a scaling law for electron densities in flare loops, n_p ~ T_p^2/L ~ T_p^1.1. The RTV-predicted electron densities were also found to be consistent with densities inferred from total emission measures, n_p=(EM_p/q_V*V)^1/2, using volume filling factors of q_V=0.03-0.08 constrained by fractal dimensions measured in solar flares. Our results affect also the determination of radiative and conductive cooling times, thermal energies, and frequency distributions of solar and stellar flare energies.Comment: 9 Figs., (paper in press, The Astrophsycial Journal