Thermodynamics of hot dense H-plasmas: Path integral Monte Carlo simulations and analytical approximations

This work is devoted to the thermodynamics of high-temperature dense hydrogen plasmas in the pressure region between $10^{-1}$ and $10^2$ Mbar. In particular we present for this region results of extensive calculations based on a recently developed path integral Monte Carlo scheme (direct PIMC). This method allows for a correct treatment of the thermodynamic properties of hot dense Coulomb systems. Calculations were performed in a broad region of the nonideality parameter $\Gamma \lesssim 3$ and degeneracy parameter $n_e \Lambda^3 \lesssim 10$. We give a comparison with a few available results from other path integral calculations (restricted PIMC) and with analytical calculations based on Pade approximations for strongly ionized plasmas. Good agreement between the results obtained from the three independent methods is found.Comment: RevTex file, 21 pages, 5 ps-figures include

The evolution of the cluster X-ray scaling relations in the WARPS sample at 0.6<z<1.0

The X-ray properties of a sample of 11 high-redshift (0.6<z<1.0) clusters observed with Chandra and/or XMM are used to investigate the evolution of the cluster scaling relations. The observed evolution of the L-T and M-L relations is consistent with simple self-similar predictions, in which the properties of clusters reflect the properties of the universe at their redshift of observation. When the systematic effect of assuming isothermality on the derived masses of the high-redshift clusters is taken into account, the high-redshift M-T and Mgas-T relations are also consistent with self-similar evolution. Under the assumption that the model of self-similar evolution is correct and that the local systems formed via a single spherical collapse, the high-redshift L-T relation is consistent with the high-z clusters having formed at a significantly higher redshift than the local systems. The data are also consistent with the more realistic scenario of clusters forming via the continuous accretion of material. The slope of the L-T relation at high-redshift (B=3.29+/-0.38) is consistent with the local relation, and significantly steeper then the self-similar prediction of B=2. This suggests that the non-gravitational processes causing the steepening occurred at z>1 or in the early stages of the clusters' formation, prior to their observation. The properties of the intra-cluster medium at high-redshift are found to be similar to those in the local universe. The mean surface-brightness profile slope for the sample is 0.66+/-0.05, the mean gas mass fractions within R2500 and R200 are 0.073+/-0.010 and 0.12+/-0.02 respectively, and the mean metallicity of the sample is 0.28+/-0.16 solar.Comment: 23 pages, 17 figures. Accepted for publication in MNRAS. Revised to match accepted version: reanalysed data with latest calibrations, several minor changes. Conclusions unchange

Guessing probability distributions from small samples

We propose a new method for the calculation of the statistical properties, as e.g. the entropy, of unknown generators of symbolic sequences. The probability distribution $p(k)$ of the elements $k$ of a population can be approximated by the frequencies $f(k)$ of a sample provided the sample is long enough so that each element $k$ occurs many times. Our method yields an approximation if this precondition does not hold. For a given $f(k)$ we recalculate the Zipf--ordered probability distribution by optimization of the parameters of a guessed distribution. We demonstrate that our method yields reliable results.Comment: 10 pages, uuencoded compressed PostScrip

Reconstruction of a first-order phase transition from computer simulations of individual phases and subphases

We present a new method for investigating first-order phase transitions using Monte Carlo simulations. It relies on the multiple-histogram method and uses solely histograms of individual phases. In addition, we extend the method to include histograms of subphases. The free energy difference between phases, necessary for attributing the correct statistical weights to the histograms, is determined by a detour in control parameter space via auxiliary systems with short relaxation times. We apply this method to a recently introduced model for structure formation in polypeptides for which other methods fail.Comment: 13 pages in preprint mode, REVTeX, 2 Figures available from the authors ([email protected], [email protected]

All-Electron Path Integral Monte Carlo Simulations of Warm Dense Matter: Application to Water and Carbon Plasmas

We develop an all-electron path integral Monte Carlo (PIMC) method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend PIMC studies beyond hydrogen and helium to elements with core electrons. PIMC pressures, internal energies, and pair-correlation functions compare well with density functional theory molecular dynamics (DFT-MD) at temperatures of (2.5-7.5)$\times10^5$ K and both methods together form a coherent equation of state (EOS) over a density-temperature range of 3--12 g/cm$^3$ and 10$^4$--10$^9$ K

Discovery of a very X-ray luminous galaxy cluster at z=0.89 in the WARPS survey

We report the discovery of the galaxy cluster ClJ1226.9+3332 in the Wide Angle ROSAT Pointed Survey (WARPS). At z=0.888 and L_X=1.1e45 erg/s (0.5-2.0 keV, h_0=0.5) ClJ1226.9+3332 is the most distant X-ray luminous cluster currently known. The mere existence of this system represents a huge problem for Omega_0=1 world models. At the modest (off-axis) resolution of the ROSAT PSPC observation in which the system was detected, ClJ1226.9+3332 appears relaxed; an off-axis HRI observation confirms this impression and rules out significant contamination from point sources. However, in moderately deep optical images (R and I band) the cluster exhibits signs of substructure in its apparent galaxy distribution. A first crude estimate of the velocity dispersion of the cluster galaxies based on six redshifts yields a high value of 1650 km/s, indicative of a very massive cluster and/or the presence of substructure along the line of sight. While a more accurate assessment of the dynamical state of this system requires much better data at both optical and X-ray wavelengths, the high mass of the cluster has already been unambiguously confirmed by a very strong detection of the Sunyaev-Zel'dovich effect in its direction (Joy et al. 2001). Using ClJ1226.9+3332 and ClJ0152.7-1357 (z=0.835), the second-most distant X-ray luminous cluster currently known and also a WARPS discovery, we obtain a first estimate of the cluster X-ray luminosity function at 0.8<z<1.4 and L_X>5e44 erg/s. Using the best currently available data, we find the comoving space density of very distant, massive clusters to be in excellent agreement with the value measured locally (z<0.3), and conclude that negative evolution is not required at these luminosities out to z~1. (truncated)Comment: accepted for publication in ApJ Letters, 6 pages, 2 figures, uses emulateapj.st

Revealing the magnetic field in a distant galaxy cluster: discovery of the complex radio emission from MACS J0717.5 +3745

Aims. To study at multiple frequencies the radio emission arising from the massive galaxy cluster MACS J0717.5+3745 (z=0.55). Known to be an extremely complex cluster merger, the system is uniquely suited for an investigation of the phenomena at work in the intra-cluster medium (ICM) during cluster collisions. Methods. We use multi-frequency and multi-resolution data obtained with the Very Large Array radio telescope, and X-ray features revealed by Chandra, to probe the non-thermal and thermal components of the ICM, their relations and interactions. Results. The cluster shows highly complex radio emission. A bright, giant radio halo is detected at frequencies as high as 4.8 GHz. MACS J0717.5+3745 is the most distant cluster currently known to host a radio halo. This radio halo is also the most powerful ever observed, and the second case for which polarized radio emission has been detected, indicating that the magnetic field is ordered on large scales.Comment: 14 pages, 13 figures, Astronomy and Astrophysics, accepte

On reaction-subdiffusion equations

To analyze possible generalizations of reaction-diffusion schemes for the case of subdiffusion we discuss a simple monomolecular conversion A --> B. We derive the corresponding kinetic equations for local A and B concentrations. Their form is rather unusual: The parameters of reaction influence the diffusion term in the equation for a component A, a consequence of the nonmarkovian nature of subdiffusion. The equation for a product contains a term which depends on the concentration of A at all previous times. Our discussion shows that reaction-subdiffusion equations may not resemble the corresponding reaction-diffusion ones and are not obtained by a trivial change of the diffusion operator for a subdiffusion one