Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin films

In recent decades, computer simulations have found increasingly widespread use as powerful tools of studying phase transitions in wide variety of systems. In the particular and very important case of aqueous systems, the commonly used force-fields tend to offer quite different predictions with respect to a wide range of thermodynamic and kinetic properties, including the ease of ice nucleation, the propensity to freeze at a vapor-liquid interface, and the existence of a liquid-liquid phase transition. It is thus of fundamental and practical interest to understand how different features of a given water model affect its thermodynamic and kinetic properties. In this work, we use the forward-flux sampling technique to study the crystallization kinetics of a family of modified Stillinger-Weber (SW) potentials with energy ($\epsilon$) and length ($\sigma$) scales taken from the monoatomic water (mW) model, but with different tetrahedrality parameters ($\lambda$). By increasing $\lambda$ from 21 to 24, we observe the nucleation rate increases by 48 orders of magnitude at a supercooling of ${\zeta}=T/T_m=0.845$. Using classical nucleation theory, we are able to demonstrate that this change can largely be accounted for by the increase in $|\Delta\mu|$, the thermodynamic driving force. We also perform rate calculations in freestanding thin films of the supercooled liquid, and observe a crossover from a surface-enhanced crystallization at $\lambda = 21$ to a bulk-dominated crystallization for $\lambda\ge22$.Comment: 10 pages, 9 figures, five table

The rise of an ionized wind in the Narrow Line Seyfert 1 Galaxy Mrk 335 observed by XMM-Newton and HST

We present the discovery of an outflowing ionized wind in the Seyfert 1 Galaxy Mrk 335. Despite having been extensively observed by most of the largest X-ray observatories in the last decade, this bright source was not known to host warm absorber gas until recent XMM-Newton observations in combination with a long-term Swift monitoring program have shown extreme flux and spectral variability. High resolution spectra obtained by the XMM-Newton RGS detector reveal that the wind consists of three distinct ionization components, all outflowing at a velocity of 5000 km/s. This wind is clearly revealed when the source is observed at an intermediate flux state (2-5e-12 ergs cm^-2 s^-1). The analysis of multi-epoch RGS spectra allowed us to compare the absorber properties at three very different flux states of the source. No correlation between the warm absorber variability and the X-ray flux has been determined. The two higher ionization components of the gas may be consistent with photoionization equilibrium, but we can exclude this for the only ionization component that is consistently present in all flux states (log(xi)~1.8). We have included archival, non-simultaneous UV data from HST (FOS, STIS, COS) with the aim of searching for any signature of absorption in this source that so far was known for being absorption-free in the UV band. In the COS spectra obtained a few months after the X-ray observations we found broad absorption in CIV lines intrinsic to the AGN and blueshifted by a velocity roughly comparable to the X-ray outflow. The global behavior of the gas in both bands can be explained by variation of the covering factor and/or column density, possibly due to transverse motion of absorbing clouds moving out of the line of sight at Broad Line Region scale.Comment: 24 pages, 12 figures, ApJ accepte

The properties of the clumpy torus and BLR in the polar-scattered Seyfert 1 galaxy ESO 323-G77 through X-ray absorption variability

We report results from multi-epoch X-ray observations of the polar-scattered Seyfert 1 galaxy ESO 323-G77. The source exhibits remarkable spectral variability from months to years timescales. The observed spectral variability is entirely due to variations of the column density of a neutral absorber towards the intrinsic nuclear continuum. The column density is generally Compton-thin ranging from a few times 10$^{22}$ cm$^{-2}$ to a few times 10$^{23}$ cm$^{-2}$. However, one observation reveals a Compton-thick state with column density of the order of 1.5 $\times$ 10$^{24}$ cm$^{-2}$. The observed variability offers a rare opportunity to study the properties of the X-ray absorber(s) in an active galaxy. We identify variable X-ray absorption from two different components, namely (i) a clumpy torus whose individual clumps have a density of $\leq$ 1.7 $\times$ 10$^8$ cm$^{-3}$ and an average column density of $\sim$ 4 $\times$ 10$^{22}$ cm$^{-2}$, and (ii) the broad line region (BLR), comprising individual clouds with density of 0.1-8 $\times$ 10$^9$ cm$^{-3}$ and column density of 10$^{23}$-10$^{24}$ cm$^{-2}$. The derived properties of the clumpy torus can also be used to estimate the torus half-opening angle, which is of the order of 47 $^\circ$. We also confirm the previously reported detection of two highly ionized warm absorbers with outflow velocities of 1000-4000 km s$^{-1}$. The observed outflow velocities are consistent with the Keplerian/escape velocity at the BLR. Hence, the warm absorbers may be tentatively identified with the warm/hot inter-cloud medium which ensures that the BLR clouds are in pressure equilibrium with their surroundings. The BLR line-emitting clouds may well be the cold, dense clumps of this outflow, whose warm/hot phase is likely more homogeneous, as suggested by the lack of strong variability of the warm absorber(s) properties during our monitoring.Comment: 15 pages, 4 tables, and 9 figures. Accepted for publication in MNRA

High resolution X-ray spectroscopy of the Seyfert 1 Mrk841: insights into the warm absorber and warm emitter

The Seyfert 1 galaxy Mrk841 was observed five times between 2001 and 2005 by the XMM-Newton X-ray observatory. The source is well known for showing spectral complexity in the variable iron line and in the soft X-ray excess. This paper reports on the first study of Mrk841 soft X-ray spectrum at high spectral resolution. The availability of multiple exposures obtained by the Reflection Grating Spectrometer (RGS) cameras allows a thorough study of the complex absorption and emission spectral features in the soft X-ray band.The three combined exposures obtained in January 2001 and the two obtained in January and July 2005 were analysed using the SPEX software. We detect a two-phase warm absorber: a medium ionisation component (logxi~1.5-2.2 ergs s cm^{-1}) is responsible for a deep absorption feature in the Unresolved Transition Array of the Fe M-shell and for several absorption lines in the OVI-VIII band; a higher ionisation phase with logxi~3 ergs s cm^{-1} is required to fit absorption in the NeIX-X band. The ionisation state and the column density of the gas present moderate variation from 2001 to 2005 for both phases. The high ionisation component of the warm absorber has no effect in the Fe K band. No significant velocity shift of the absorption lines is measured in the RGS data. Remarkably, the 2005 spectra show emission features consistent with photoionisation in a high density (n_e>10^{11} cm^{-3}) gas: a prominent OVII line triplet is clearly observed in January 2005 and narrow Radiative Recombination Continua (RRC) of OVII and CVI are observed in both 2005 data sets. A broad Gaussian line around 21.7 Angstrom is also required to fit all the data sets. The derived radial distance for the emission lines seems to suggest that the photoionisation takes place within the optical Broad Line Region of the source.Comment: In press on A&A, replaced version includes language editing and typo on velocities corrected in Table

Unveiling the broad band X-ray continuum and iron line complex in Mkr 841

Mkr 841 is a bright Seyfert 1 galaxy known to harbor a strong soft excess and a variable K$\alpha$ iron line. It has been observed during 3 different periods by XMM for a total cumulated exposure time of $\sim$108 ks. We present in this paper a broad band spectral analysis of the complete EPIC-pn data sets. We were able to test two different models for the soft excess, a relativistically blurred photoionized reflection (\r model) and a relativistically smeared ionized absorption (\a model). The continuum is modeled by a simple cut-off power law and we also add a neutral reflection. These observations reveal the extreme and puzzling spectral and temporal behaviors of the soft excess and iron line. The 0.5-3 keV soft X-ray flux decreases by a factor 3 between 2001 and 2005 and the line shape appears to be a mixture of broad and narrow components. We succeed in describing this complex broad-band 0.5-10 keV spectral variability using either \r or \a to fit the soft excess. Both models give statistically equivalent results even including simultaneous BeppoSAX data up to 200 keV. Both models are consistent with the presence of remote reflection characterized by a constant narrow component in the data. However they differ in the presence of a broad line component present in \r but not needed in \a. This study also reveals the sporadic presence of relativistically redshifted narrow iron lines.Comment: Accepted in A&A. 17 pages and 21 figure

Extreme Warm Absorber variability in the Seyfert Galaxy Mrk 704

In about half of Seyfert galaxies, the X-ray emission is absorbed by an optically thin, ionized medium, the so-called "Warm Absorber", whose origin and location is still a matter of debate. The aims of this paper is to put more constraints on the warm absorber by studying its variability. We analyzed the X-ray spectra of a Seyfert 1 galaxy, Mrk 704, which was observed twice, three years apart, by XMM-Newton. The spectra were well fitted with a two zones absorber, possibly covering only partially the source. The parameters of the absorbing matter - column density, ionization state, covering factor - changed significantly between the two observations. Possible explanations for the more ionized absorber are a torus wind (the source is a polar scattering one) or, in the partial covering scenario, an accretion disk wind. The less ionized absorber may be composed of orbiting clouds in the surroundings of the nucleus, similarly to what already found in other sources, most notably NGC 1365.Comment: 10 pages. Accepted for publication in Astronomy & Astrophysic

X-ray narrow line region variability as a geometry probe: The case of NGC 5548

We study the long time scale variability of the gas responsible for the X-ray narrow emission lines in the Seyfert 1 galaxy NGC 5548, in order to constrain the location and geometry of the emitting gas. Using X-ray spectra taken with the Chandra-LETGS and HETGS instruments and with XMM-Newton RGS and combining them with long-term monitoring observations of the Rossi X-ray Timing Explorer (RXTE), we perform a correlation analysis in order to try constrain the time scale on which the narrow line emitting gas responds to variations of the continuum flux. With the inclusion of the 2007 Chandra-LETGS observation we have an additional observation at an historically low flux level. We conclude that the NLR in NGC 5548 is in the form of an ionization cone, compact in size, and located between 1 and 15 pc from the central source, depending on the exact geometry of the NLR.Comment: 6 pages, 4 figures, accepted for publication in A&

The origin of the strong soft excess and puzzling iron line complex in Mkn 841

Mkn 841 has been observed during 3 different periods (January 2001, January 2005 and July 2005) by XMM-Newton for a total cumulated exposure time of ~108 ks. We present in this paper a broad band spectral analysis of the complete EPIC-pn data sets. These observations confirm the presence of the strong soft excess and complex iron line profile known to be present in this source since a long time. They also reveal their extreme and puzzling spectral and temporal behaviors. Indeed, the 0.5-2 keV soft X-ray flux decreases by a factor 3 between 2001 and 2005 and the line shape appears to be a mixed of broad and narrow components, both variable but on differen timescales. The broad-band 0.5-10 keV spectra are well described by a model including a primary power law continuum, a blurred photoionized reflection and a narrow iron line, the blurred reflection fitting self-consistently the soft excess and the broad line component. The origin and nature of the narrow component is unclear.Comment: 4 pages, 6 Figures. Accepted for publication in Astronomische Nachrichten, proceedings of the ESAC Workshop "Variable and Broad Iron Lines around Black Holes

The nature of the torus in the heavily obscured AGN Markarian 3: an X-ray study

In this paper we report the results of an X-ray monitoring campaign on the heavily obscured Seyfert galaxy Markarian 3 carried out between the fall of 2014 and the spring of 2015 with NuSTAR, Suzaku and XMM-Newton. The hard X-ray spectrum of Markarian 3 is variable on all the time scales probed by our campaign, down to a few days. The observed continuum variability is due to an intrinsically variable primary continuum seen in transmission through a large, but still Compton-thin column density (N_H~0.8-1.1$\times$10$^{24}$ cm$^{-2}$). If arranged in a spherical-toroidal geometry, the Compton scattering matter has an opening angle ~66 degrees and is seen at a grazing angle through its upper rim (inclination angle ~70 degrees). We report a possible occultation event during the 2014 campaign. If the torus is constituted by a system of clouds sharing the same column density, this event allows us to constrain their number (17$\pm$5) and individual column density, [~(4.9$\pm$1.5)$\times$10$^{22}$ cm$^{-2}$]. The comparison of IR and X-ray spectroscopic results with state-of-the art "torus" models suggests that at least two thirds of the X-ray obscuring gas volume might be located within the dust sublimation radius. We report also the discovery of an ionized absorber, characterised by variable resonant absorption lines due to He- and H-like iron. This discovery lends support to the idea that moderate column density absorbers could be due to clouds evaporated at the outer surface of the torus, possibly accelerated by the radiation pressure due to the central AGN emission leaking through the patchy absorber.Comment: Accepted for publication in MNRAS, 17 pages, 11 figures, 5 table