O stars effective temperature and HII regions ionization parameter gradients in the Galaxy

Extensive photoionization model grids are computed for single star HII regions using stellar atmosphere models from the WM-basic code. Mid-IR emission line intensities are predicted and diagnostic diagrams of [NeIII]/[NeII] and [SIV]/[SIII] excitation ratio are build, taking into account the metallicities of both the star and the HII region. The diagrams are used in conjunction with galactic HII region observations obtained with the ISO Observatory to determine the effective temperature Teff of the exciting O stars and the mean ionization parameter U. Teff and U are found to increase and decrease, respectively, with the metallicity of the HII region represented by the [Ne/Ne_sol] ratio. No evidence is found for gradients of Teff or U with galactocentric distance Rgal. The observed excitation sequence with Rgal is mainly due to the effect of the metallicity gradient on the spectral ionizing shape, upon which the effect of an increase in Teff with Z is superimposed. We show that not taking properly into account the effect of metallicity on the ionizing shape of the stellar atmosphere would lead to an apparent decrease of Teff with Z and an increase of Teff with Rgal.Comment: Accepted in Ap

Density-Dependent Analysis of Nonequilibrium Paths Improves Free Energy Estimates II. A Feynman-Kac Formalism

The nonequilibrium fluctuation theorems have paved the way for estimating equilibrium thermodynamic properties, such as free energy differences, using trajectories from driven nonequilibrium processes. While many statistical estimators may be derived from these identities, some are more efficient than others. It has recently been suggested that trajectories sampled using a particular time-dependent protocol for perturbing the Hamiltonian may be analyzed with another one. Choosing an analysis protocol based on the nonequilibrium density was empirically demonstrated to reduce the variance and bias of free energy estimates. Here, we present an alternate mathematical formalism for protocol postprocessing based on the Feynmac-Kac theorem. The estimator that results from this formalism is demonstrated on a few low-dimensional model systems. It is found to have reduced bias compared to both the standard form of Jarzynski's equality and the previous protocol postprocessing formalism.Comment: 21 pages, 5 figure

Scattered Lyman-alpha Radiation Around Sources Before Cosmological Reionization

The spectra of the first galaxies and quasars in the Universe should be strongly absorbed shortward of their rest-frame Lyman-alpha wavelength by neutral hydrogen (HI) in the intervening intergalactic medium. However, the Lyman-alpha line photons emitted by these sources are not eliminated but rather scatter until they redshift out of resonance and escape due to the Hubble expansion of the surrounding intergalactic HI. We calculate the resulting brightness distribution and the spectral shape of the diffuse Lyman-alpha line emission around high redshift sources, before the intergalactic medium was reionized. Typically, the Lyman-alpha photons emitted by a source at z=10 scatter over a characteristic angular radius of order 15 arcseconds around the source and compose a line which is broadened and redshifted by about a thousand km/s relative to the source. The scattered photons are highly polarized. Detection of the diffuse Lyman-alpha halos around high redshift sources would provide a unique tool for probing the neutral intergalactic medium before the epoch of reionization. On sufficiently large scales where the Hubble flow is smooth and the gas is neutral, the Lyman-alpha brightness distribution can be used to determine the cosmological mass densities of baryons and matter.Comment: 21 pages, 5 Postscript figures, accepted by ApJ; figures 1--3 corrected; new section added on the detectability of Lyman alpha halos; conclusions update

Photoionization cross sections of O II, O III, O IV, and O V: benchmarking R-matrix theory and experiments

For crucial tests between theory and experiment, ab initio close coupling calculations are carried out for photoionization of O II, O III, O IV, O V. The relativistic fine structure and resonance effects are studied using the R-matrix and its relativistic variant the Breit Pauli R-matrix (BPRM) approximation. Detailed comparison is made with high resolution experimental measurements carried out in three different set-ups: Advanced Light Source at Berkeley, and synchrotron radiation experiments at University of Aarhus and University of Paris-Sud. The comparisons illustrate physical effects in photoionization such as (i) fine structure, (ii) resolution, and (iii) metastable components. Photoionization cross sections sigma{PI} of the ground and a few low lying excited states of these ions obtained in the experimental spectrum include combined features of these states. Theoretically calculated resonances need to be resolved with extremely fine energy mesh for precise comparison. In addition, prominent resonant features are observed in the measured spectra from transitions allowed with relativistic fine structure, but not in LS coupling. The sigma_{PI} are obtained for ground and metastable (i) 2s^22p^3(^4S^o, ^2D^o, ^2P^o) states of O II, (ii) 2s^22p^2(^3P,^1D,^1S) and 2s2p^3(^5S^o) states of O III, (iii) 2s^22p(^2P^o_J) and 2s2p^2(^4P_J) levels of O IV, and (iv) 2s^2(^1S) and 2s2p(^3P^o,^1P^o) states of O V. It is found that resonances in ground and metastable cross sections can be a diagnostic of experimental beam composition, with potential ap plications to astrophysical and laboratory plasma environments.Comment: 27 pages, 7 figs., submitted to Phys. Rev. A., text with high resolution figures at http://www.astronomy.ohio-state.edu/~pradhan/Oions.p

The 21cm Signature of the First Stars

We predict the 21-cm signature of the first metal-free stars. The soft X-rays emitted by these stars penetrate the atomic medium around their host halos, generating Lyman alpha photons that couple the spin and kinetic temperatures. These creates a region we call the Lyman alpha sphere, visible in 21-cm against the CMB, which is much larger than the HII region produced by the same star. The spin and kinetic temperatures are strongly coupled before the X-rays can substantially heat the medium, implying that a strong 21-cm absorption signal from the adiabatically cooled gas in Hubble expansion around the star is expected when the medium has not been heated previously. A central region of emission from the gas heated by the soft X-rays is also present although with a weaker signal than the absorption. The Lyman alpha sphere is a universal signature that should be observed around any first star illuminating its vicinity for the first time. The 21-cm radial profile of the Lyman alpha sphere can be calculated as a function of the luminosity, spectrum and age of the star. For a star of a few hundred solar masses and zero metallicity (as expected for the first stars), the physical radius of the Lyman alpha sphere can reach tens of kiloparsecs. The first metal-free stars should be strongly clustered because of high cosmic biasing; this implies that the regions producing a 21-cm absorption signal may contain more than one star and will generally be irregular and not spherical, because of the complex distribution of the gas. We discuss the feasiblity of detecting these Lyman alpha spheres, which would be present at redshifts $z\sim 30$ in the Cold Dark Matter model. Their observation would represent a direct proof of the detection of a first star.Comment: replaced with ApJ accepted version. Many minor revisions and additional references, major results unchange

Measuring the energy landscape roughness and the transition state location of biomolecules using single molecule mechanical unfolding experiments

Single molecule mechanical unfolding experiments are beginning to provide profiles of the complex energy landscape of biomolecules. In order to obtain reliable estimates of the energy landscape characteristics it is necessary to combine the experimental measurements with sound theoretical models and simulations. Here, we show how by using temperature as a variable in mechanical unfolding of biomolecules in laser optical tweezer or AFM experiments the roughness of the energy landscape can be measured without making any assumptions about the underlying reaction oordinate. The efficacy of the formalism is illustrated by reviewing experimental results that have directly measured roughness in a protein-protein complex. The roughness model can also be used to interpret experiments on forced-unfolding of proteins in which temperature is varied. Estimates of other aspects of the energy landscape such as free energy barriers or the transition state (TS) locations could depend on the precise model used to analyze the experimental data. We illustrate the inherent difficulties in obtaining the transition state location from loading rate or force-dependent unfolding rates. Because the transition state moves as the force or the loading rate is varied it is in general difficult to invert the experimental data unless the curvature at the top of the one dimensional free energy profile is large, i.e the barrier is sharp. The independence of the TS location on force holds good only for brittle or hard biomolecules whereas the TS location changes considerably if the molecule is soft or plastic. We also comment on the usefulness of extension of the molecule as a surrogate reaction coordinate especially in the context of force-quench refolding of proteins and RNA.Comment: 44 pages, 7 figure

The first detection of near-infrared CN bands in active galactic nuclei: signature of star formation

We present the first detection of the near-infrared CN absorption band in the nuclear spectra of active galactic nuclei (AGN). This feature is a recent star formation tracer, being particularly strong in carbon stars. The equivalent width of the CN line correlates with that of the CO at 2.3 microns, as expected in stellar populations (SP) with ages between ~ 0.2 and ~ 2 Gyr. The presence of the 1.1 microns CN band in the spectra of the sources is taken as an unambiguous evidence of the presence of young/intermediate SP close to the central source of the AGN. Near-infrared bands can be powerful age indicators for star formation connected to AGN, the understanding of which is crucial in the context of galaxy formation and AGN feedback.Comment: Accepted for publication in The Astrophysical Journal Letters. 4 pages, 3 figure

Model of a fluid at small and large length scales and the hydrophobic effect

We present a statistical field theory to describe large length scale effects induced by solutes in a cold and otherwise placid liquid. The theory divides space into a cubic grid of cells. The side length of each cell is of the order of the bulk correlation length of the bulk liquid. Large length scale states of the cells are specified with an Ising variable. Finer length scale effects are described with a Gaussian field, with mean and variance affected by both the large length scale field and by the constraints imposed by solutes. In the absence of solutes and corresponding constraints, integration over the Gaussian field yields an effective lattice gas Hamiltonian for the large length scale field. In the presence of solutes, the integration adds additional terms to this Hamiltonian. We identify these terms analytically. They can provoke large length scale effects, such as the formation of interfaces and depletion layers. We apply our theory to compute the reversible work to form a bubble in liquid water, as a function of the bubble radius. Comparison with molecular simulation results for the same function indicates that the theory is reasonably accurate. Importantly, simulating the large length scale field involves binary arithmetic only. It thus provides a computationally convenient scheme to incorporate explicit solvent dynamics and structure in simulation studies of large molecular assemblies

Near-Infrared Spectroscopy of McNeil's Nebula Object

We present 0.8-5.2 micron spectroscopy of the compact source at the base of a variable nebula (McNeil's Nebula Object) in the Lynds 1630 dark cloud that went into outburst in late 2003. The spectrum of this object reveals an extremely red continuum, CO bands at 2.3-2.5 microns in emission, a deep 3.0 micron ice absorption feature, and a solid state CO absorption feature at 4.7 microns. In addition, emission lines of H, Ca II, Mg I, and Na I are present. The Paschen lines exhibit P Cygni profiles, as do two lines of He I, although the emission features are very weak in the latter. The Brackett lines, however, are seen to be purely in emission. The P Cygni profiles clearly indicate that mass outflow is occurring in a wind with a velocity of ~400 km/s. The H line ratios do not yield consistent estimates of the reddening, nor do they agree with the extinction estimated from the ice feature (A_V ~ 11). We propose that these lines are optically thick and are produced in a dense, ionized wind. The near-infrared spectrum does not appear similar to any known FUor or EXor object. However, all evidence suggests that McNeil's Nebula Object is a heavily-embedded low-mass Class I protostar, surrounded by a disk, whose brightening is due to a recent accretion event.Comment: 11 pages, 2 ps figures, accepted for publication in ApJ Letter