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Are Unidentified Extreme-Ultraviolet Sources the Closest Neutron Stars?

Unidentified extreme-ultraviolet (EUV) sources, detected in the EUVE and ROSAT WFC all-sky surveys, could be isolated old neutron stars, accreting material from the interstellar medium (ISM). The closest neutron stars, which are located in the local ISM bubble of unusually low density, are faint and cool (L approximately 10(exp 27) erg/s, T approximately < 6 eV). The extreme-UV spectrum of these sources is very sensitive to the H I column density, since a large fraction of the energy is emitted just below the hydrogen Lyman edge. The EUVE sources with large count rates in the long-wavelength bandpass (600 A) seem to be the most promising candidates. These sources should have low H I column density (N(sub H I) approximately < 10(exp 18) sq cm), constraining their distances to a few tens of parsecs. Otherwise, their spectra would be significantly modified by ISM absorption, and inevitably they would appear stronger in the short-wavelength (100 A, 200 A) EUVE bandpasses. If these unidentified objects are familiar EUV sources rather than neutron stars, i.e. white dwarfs, late-type stars or cataclysmic variables, they are expected to be identifiable, and generally brighter than V approximately 14.

Shemi, A.↗

Properties of the Water Column and Bottom Derived from AVIRIS Data

Using AVIRIS data as an example, we show in this study that the optical properties of the water column and bottom of a large, shallow area can be adequately retrieved using a model-driven optimization technique. The simultaneously derived properties include bottom depth, bottom albedo, and water absorption and backscattering coefficients, which in turn could be used to derive concentrations of chlorophyll, dissolved organic matter, and suspended sediments. The derived bottom depths were compared with a bathymetry chart and a boat survey and were found to agree very well. Also, the derived bottom-albedo image shows clear spatial patterns, with end members consistent with sand and seagrass. The image of absorption and backscattering coefficients indicates that the water is quite horizontally mixed. These results suggest that the model and approach used work very well for the retrieval of sub-surface properties of shallow-water environments even for rather turbid environments like Tampa Bay, Florida.

Lee, Zhong-Ping↗

Far-Ultraviolet Spectroscopic Explorer Observations of the Narrow-Line Seyfert 1 Galaxy Arakelian 564

We present a 63 ks FUSE observation of the narrow-line Seyfert 1 galaxy Arakelian 564. The spectrum is dominated by the strong emission in the O VI lambdalambda1032, 1038 resonance doublet. Strong, heavily saturated absorption troughs due to Lyman series of hydrogen, O VI, and C III lambda977 at velocities near the systemic red shift of Ark 564 are also observed. We used the column densities of O VI and C III, in conjunction with the published column densities of species observed in the UV and X-ray bands to derive constraints on the physical parameters of the absorber through photoionization modeling. The available data suggest that the UV and X-ray absorbers in Ark 564 are physically related and possibly identical. The combination of constraints indicates that the absorber is characterized by a narrow range in total column density N(sub H) and U, centered at log V(sub H) is approximately 21 and log U is approximately - 1.5, and may be spatially extended along the line of sight.

Romano, P.↗

THE BARYON CENSUS IN A MULTIPHASE INTERGALACTIC MEDIUM: 30% OF THE BARYONS MAY STILL BE MISSING

Although galaxies, groups, and clusters contain {approx}10% of the baryons, many more reside in the photoionized and shocked-heated intergalactic medium (IGM) and in the circumgalactic medium (CGM). We update the baryon census in the (H I) Ly{alpha} forest and warm-hot IGM (WHIM) at 10{sup 5-6} K traced by O VI {lambda}1032, 1038 absorption. From Enzo cosmological simulations of heating, cooling, and metal transport, we improve the H I and O VI baryon surveys using spatially averaged corrections for metallicity (Z/Z {sub Sun }) and ionization fractions (f {sub HI}, f {sub OVI}). Statistically, the O VI correction product correlates with column density, (Z/Z {sub Sun })f {sub OVI} Almost-Equal-To (0.015)(N {sub OVI}/10{sup 14} cm{sup -2}){sup 0.70}, with an N {sub OVI}-weighted mean of 0.01, which doubles previous estimates of WHIM baryon content. We also update the Ly{alpha} forest contribution to baryon density out to z = 0.4, correcting for the (1 + z){sup 3} increase in absorber density, the (1 + z){sup 4.4} rise in photoionizing background, and cosmological proper length dl/dz. We find substantial baryon fractions in the photoionized Ly{alpha} forest (28% {+-} 11%) and WHIM traced by O VI and broad-Ly{alpha} absorbers (25% {+-} 8%). The collapsed phase (galaxies, groups, clusters, CGM) contains 18% {+-} 4%, leaving an apparent baryon shortfall of 29% {+-} 13%. Our simulations suggest that {approx}15% reside in hotter WHIM (T {>=} 10{sup 6} K). Additional baryons could be detected in weaker Ly{alpha} and O VI absorbers. Further progress requires higher-precision baryon surveys of weak absorbers, down to minimum column densities N {sub HI} {>=} 10{sup 12.0} cm{sup -2}, N {sub OVI} {>=} 10{sup 12.5} cm{sup -2}, N {sub OVII} {>=} 10{sup 14.5} cm{sup -2}, using high signal-to-noise data from high-resolution UV and X-ray spectrographs.

79 ASTRONOMY AND ASTROPHYSICS↗

Cold and warm atomic gas around the Perseus molecular cloud. I. Basic properties

Using the Arecibo Observatory, we have obtained neutral hydrogen (HI) absorption and emission spectral pairs in the direction of 26 background radio continuum sources in the vicinity of the Perseus molecular cloud. Strong absorption lines were detected in all cases, allowing us to estimate spin temperature (T{sub s} ) and optical depth for 107 individual Gaussian components along these lines of sight. Basic properties of individual H I clouds (spin temperature, optical depth, and the column density of the cold and warm neutral medium (CNM and WNM), respectively) in and around Perseus are very similar to those found for random interstellar lines of sight sampled by the Millennium H I survey. This suggests that the neutral gas found in and around molecular clouds is not atypical. However, lines of sight in the vicinity of Perseus have, on average, a higher total H I column density and the CNM fraction, suggesting an enhanced amount of cold H I relative to an average interstellar field. Our estimated optical depth and spin temperature are in stark contrast with the recent attempt at using Planck data to estimate properties of the optically thick H I. Only ∼15% of lines of sight in our study have a column density weighted average spin temperature lower than 50 K, in comparison with ≳ 85% of Planck's sky coverage. The observed CNM fraction is inversely proportional to the optical depth weighted average spin temperature, in excellent agreement with the recent numerical simulations by Kim et al. While the CNM fraction is, on average, higher around Perseus relative to a random interstellar field, it is generally low, between 10%-50%. This suggests that extended WNM envelopes around molecular clouds and/or significant mixing of CNM and WNM throughout molecular clouds are present and should be considered in the models of molecule and star formation. Our detailed comparison of H I absorption with CO emission spectra shows that only 3 of the 26 directions are clear candidates for probing the CO-dark gas as they have N(H I)>10{sup 21} cm{sup –2} yet no detectable CO emission.

79 ASTRONOMY AND ASTROPHYSICS↗

UV spectroscopy of star-grazing comets within the 49 Ceti debris disk

We present the analysis of time-variable Doppler-shifted absorption features in far-UV spectra of the unusual 49 Ceti debris disk. This nearly edge-on disk is one of the brightest known and is one of the very few containing detectable amounts of circumstellar (CS) gas as well as dust. In our two visits of Hubble Space Telescope STIS spectra, variable absorption features are seen on the wings of lines arising from Cii and Civ but not for any of the other CS absorption lines. Similar variable features have long been seen in spectra of the well-studied β Pictoris debris disk and attributed to the transits of star-grazing comets. We calculated the velocity ranges and apparent column densities of the 49 Cet variable gas, which appears to have been moving at velocities of tens to hundreds of km s{sup −1} relative to the central star. The velocities in the redshifted variable event seen in the second visit show that the maximum distances of the infalling gas at the time of transit were about 0.05–0.2 au from the central star. A preliminary attempt at a composition analysis of the redshifted event suggests that the C/O ratio in the infalling gas is super-solar, as it is in the bulk of the stable disk gas.

79 ASTRONOMY AND ASTROPHYSICS↗

The NuSTAR Extragalactic Survey: Average Broadband X-Ray Spectral Properties of the NuSTAR-detected AGNs

We present a study of the average X-ray spectral properties of the sources detected by the NuSTAR extragalactic survey, comprising observations of the Extended Chandra Deep Field South (E-CDFS), Extended Groth Strip (EGS), and the Cosmic Evolution Survey (COSMOS). The sample includes 182 NuSTAR sources (64 detected at 8–24 keV), with 3–24 keV fluxes ranging between f{sub 3--24keV}≈10{sup −14} and 6 × 10{sup −13} erg cm{sup −2} s{sup −1} (f{sub 8--24keV}≈3×10{sup −14}--3×10{sup −13} erg cm{sup −2} s{sup −1}) and redshifts in the range of z=0.04--3.21. We produce composite spectra from the Chandra + NuSTAR data (E≈2--40 keV, rest frame) for all the sources with redshift identifications (95%) and investigate the intrinsic, average spectra of the sources, divided into broad-line (BL) and narrow-line (NL) active galactic nuclei (AGNs), and also in different bins of X-ray column density and luminosity. The average power-law photon index for the whole sample is Γ=1.65{sub −0.03}{sup +0.03}, flatter than the Γ≈1.8 typically found for AGNs. While the spectral slope of BL and X-ray unabsorbed AGNs is consistent with the typical values (Γ=1.79{sub −0.01}{sup +0.01}), a significant flattening is seen in NL AGNs and heavily absorbed sources (Γ=1.60{sub −0.05}{sup +0.08} and Γ=1.38{sub −0.12}{sup +0.12}, respectively), likely due to the effect of absorption and to the contribution from the Compton reflection component to the high-energy flux (E>10 keV). We find that the typical reflection fraction in our spectra is R≈0.5 (for Γ=1.8), with a tentative indication of an increase of the reflection strength with X-ray column density. While there is no significant evidence for a dependence of the photon index on X-ray luminosity in our sample, we find that R decreases with luminosity, with relatively high levels of reflection (R≈1.2) for L{sub 10--40keV}<10{sup 44} erg s{sup −1} and R≈0.3 for L{sub 10--40keV}>10{sup 44} erg s{sup −1} AGNs, assuming a fixed spectral slope of Γ=1.8.

79 ASTRONOMY AND ASTROPHYSICS↗

Galaxies probing galaxies at high resolution: co-rotating gas associated with a milky way analog at z = 0.4

We present results on gas flows in the halo of a Milky-Way-like galaxy at z = 0.413 based on high-resolution spectroscopy of a background galaxy. This is the first study of circumgalactic gas at high spectral resolution toward an extended background source (i.e., a galaxy rather than a quasar). Using long-slit spectroscopy of the foreground galaxy, we observe spatially extended Hα emission with a circular rotation velocity v{sub circ}≈270 km s{sup −1}. Using echelle spectroscopy of the background galaxy, we detect Mg ii and Fe ii absorption lines at an impact parameter ρ=27 kpc that are blueshifted from systemic in the sense of the foreground galaxy’s rotation. The strongest absorber (EW{sub 2796}=0.90 Å) has an estimated column density (N{sub H}⩾10{sup 19} cm{sup −2}) and line-of-sight velocity dispersion (σ=17 km s{sup −1}) that are consistent with the observed properties of extended H i disks in the local universe. Our analysis of the rotation curve also suggests that this r≈30 kpc gaseous disk is warped with respect to the stellar disk. In addition, we detect two weak Mg ii absorbers in the halo with small velocity dispersions (σ<10 km s{sup −1}). While the exact geometry is unclear, one component is consistent with an extraplanar gas cloud near the disk–halo interface that is co-rotating with the disk, and the other is consistent with a tidal feature similar to the Magellanic Stream. We can place lower limits on the cloud sizes (l>0.4 kpc) for these absorbers given the extended nature of the background source. We discuss the implications of these results for models of the geometry and kinematics of gas in the circumgalactic medium.

79 ASTRONOMY AND ASTROPHYSICS↗

The Hubble Space Telescope quasar absorption line key project. 6: Properties of the metal-rich systems

We present an analysis of the properties of a sample of 18 metal-rich, low-redshift z(sub abs) much less than z(sub em) absorbers seen in low- and medium-resolution spectra obtained for the Quasar Absorption Line Key Project with the Hubble Space Telescope Faint Object Spectrograph (HST/FOS). For most of the C IV and Lyman-limit systems, observations in the optical wavelength range of the expected associated Mg II absorption are available. As at high redshift (z approximately 2), there are two subclasses of absorbers which are characterized by the presence or absence of MG II absorption. However, some low-redshift Mg II and Fe absorptions originate from regions optically thin to UV ionizing photons and thus, at low redshift, the low-ionization systems do not always trace high opacities, as is the case at high redshift. This implies that the mean ionization state of metal-rich, optically thin absorbing clouds falls with decreasing redshift, which is consistent with the hypothesis that the gas is photoionized by the metagalactic UV background radiation field. Two main constraints are derived from the analysis of the Lyman-limit sample, assuming photoionization models are valid. First, a low opacity to ionizing photons (tau(sub LL) approximately less than 1), as observed for several Mg II-Fe II systems at z approximately 0.5, sets limits on the ionization level of hydrogen, thus on the total hydrogen column density and the heavy element abundances, (Z/H) approximately -0.5 to -0.3. Second, the dimensions of individual Mg II clouds are smaller than at high redshift by a factor 3-10. At z approximately greater than 0.6, the O VI absorption doublet is detected in four of the five z(sub abs) much less than z(sub em) systems for which the O VI wavelength range has been observed, whereas the associated N V doublet is detected in only two cases. This suggests that the presence of a high-ionization O VI phase is a general property of z approximately 0.6-1 absorption systems, as is also probably the case at high redshift. These O VI absorbers can be ionized by the UV metagalactic field if their density is low, nH approximately less than 3 x 10(exp -4)/cc. The O VI phase would then be a homogeneous region of large extent, r approximately greater than 50 kpc. A detailed photoionization model of the z(sub abs) = 0.791 absorber toward PKS 2145+06 confirms the properties derived from the Mg II, C IV, O VI, and Lyman-limit samples. The galaxy causing this extensive metal-line absorption system has been identified, and its possible contribution to the UV ionizing flux does not substantially modify the value of the derived parameters. The heavy element abundances are about half the solar values. The O VI region has a density about 20 times lower than the Mg II clouds and a size of approximately 70 kpc. Alternatively, the high-ionization phase could be collisionally ionized and trace gas associated with a possible group of galaxies at the absorber redshift.

Bergeron, Jacqueline↗

HERSCHEL/HIFI DISCOVERY OF HCL{sup +} IN THE INTERSTELLAR MEDIUM

The radical ion HCl{sup +}, a key intermediate in the chlorine chemistry of the interstellar gas, has been identified for the first time in the interstellar medium with the Herschel Space Observatory's Heterodyne Instrument for the Far-Infrared. The ground-state rotational transition of H{sup 35}Cl{sup +}, {sup 2}{Pi}{sub 3/2} J = 5/2-3/2, showing {Lambda}-doubling and hyperfine structure, is detected in absorption toward the Galactic star-forming regions W31C (G10.6-0.4) and W49N. The complex interstellar absorption features are modeled by convolving in velocity space the opacity profiles of other molecular tracers toward the same sources with the fine and hyperfine structure of HCl{sup +}. This structure is derived from a combined analysis of optical data from the literature and new laboratory measurements of pure rotational transitions, reported in the accompanying Letter by Gupta et al. The models reproduce well the interstellar absorption, and the frequencies inferred from the astronomical observations are in exact agreement with those calculated using spectroscopic constants derived from the laboratory data. The detection of H{sup 37}Cl{sup +} toward W31C, with a column density consistent with the expected {sup 35}Cl/{sup 37}Cl isotopic ratio, provides additional evidence for the identification. A comparison with the chemically related molecules HCl and H{sub 2}Cl{sup +} yields an abundance ratio of unity with both species (HCl{sup +} : H{sub 2}Cl{sup +} : HCl {approx} 1). These observations also yield the unexpected result that HCl{sup +} accounts for 3%-5% of the gas-phase chlorine toward W49N and W31C, values several times larger than the maximum fraction ({approx}1%) predicted by chemical models.

74 ATOMIC AND MOLECULAR PHYSICS↗

DETECTION OF OH{sup +} IN TRANSLUCENT INTERSTELLAR CLOUDS: NEW ELECTRONIC TRANSITIONS AND PROBING THE PRIMARY COSMIC RAY IONIZATION RATE

We present the detection of rotationally resolved electronic transitions in the OH{sup +} A{sup 3}Π–X{sup 3}Σ{sup −} (0, 0) and (1, 0) bands toward CD-32 4348, HD 63804, HD 78344, and HD 80077. These four translucent clouds have been studied in a recent Very Large Telescope/Ultraviolet and Visual Echelle Spectrograph observational run. In total, seven absorption features of OH{sup +} are detected, and six of them are identified here for the first time, providing a precise tool to trace OH{sup +} in translucent interstellar clouds. An improved set of line positions and oscillator strengths is compiled to support our data interpretation. A dedicated analysis of the observed features in individual targets yields an accurate determination of OH{sup +} column densities. The results are applied to estimate the primary cosmic ray ionization rate in the investigated translucent clouds, which yields a typical value of ∼1.0 × 10{sup −16} s{sup −1}. In addition, following this work, two of the new interstellar features recently reported by Bhatt and Cami, at ∼3572.65 and 3346.96 Å, can be identified as OH{sup +} absorption lines now.

79 ASTRONOMY AND ASTROPHYSICS↗

CO and OH absorption toward the low-latitude radio source 2023+336

We report interferometric observations of (12)CO (0 to 1) 115 GHz and OH 1667 MHz absorption toward the extragalactic radio continuum source 2023+336. Our data show two partially blended absorption features near +2 km/s LSR which probably originate in local molecular clouds in the Cygnus rift, approximately 0.7 kpc away. The CO lines are optically thin, with tau(sub CO) = 0.5 +/- 0.1, while tau(sub OH) = 0.030 +/- 0.004. The detected absorption features have a combined velocity width of 3.0 km/s FWHM, greater than the width of the corresponding (12)CO emission features, Full Width of Half Maximum (FWHM) = 2.3 km/s, indicating that the absorbing gas in a approximately 1 AU diameter column shows a greater velocity range than the gas in the 0.2 pc diameter emission beam. CO excitation temperatures T(sub ex), range from 2.7 to 7.0 K across the line profile, implying that the gas along this line of sight is rotationally quite cold. By measuring the (12)CO excitation temperature and optical depth, we derive an abundance ratio, (CO)/(H2), of 6 x 10(exp -6), which is more than an order of magnitude lower than is seen elsewhere. Our low observed CO optical depth is inconsistent with the ratio of (12)CO to (13)CO emission line integrals, 16:1, which implies that the (12)CO is optically thick. As a solution to these anomalies, we propose that the CO absorption and emission arise from preferentially different parts of the molecular medium. Other solutions would require an anomalous (12)CO/(13)CO abundance ratio and an anomalous CO/H2 abundance ratio, or much lower excitation temperatures. Since we find no absorption at negative velocities with tau greater than 0.23 (2.5 sigma), there is no compelling evidence for the existence of an extensive population of cold molecular gas in the outer Galaxy along this line of sight.

Kobulnicky, Henry A.↗

Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide

Abstract The first set of theoretical rotational cross sections for propylene oxide (CH 3 CHCH 2 O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H 2 are deduced in the temperature range 5–30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found to probe the cold (∼10 K) and translucent ( n H ∼ 2000 cm −3 ) gas in the outer edges of the extended Sgr B2(N) envelope. The derived column density for propylene oxide is N tot ∼ 3 × 10 12 cm −2 , corresponding to a fractional abundance relative to total hydrogen of ∼2.5 × 10 −11 . The present results are expected to help our understanding of the chemistry of propylene oxide, including a potential enantiomeric excess, in the cold interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗

Soft X-ray spectral observations of low-luminosity active galaxies

The X-ray spectra of a sample of 12 low-luminosity AGNs observed using the solid state spectrometer on the HEAO 2 satellite are investigated. The AGNs discussed here have X-ray luminosities below about 10 to the 44th erg/s, and thus form a sample complementary to the higher luminosity sample discussed by Petre et al. (1984). The spectra are well described by a simple model consisting of a power law, with photon spectral index about 1.7, plus absorption by cold gas. The objects in the sample can be separated into three groups: (1) those whose spectra show no significant absorption; (2) those for which the X-ray source is totally covered by a spatially uniform absorbing medium; and (3) those for which partial covering by 'patchy' absorbers is indicated. Column densities and covered fractions do not correlate systematically with X-ray luminosity. Implications regarding physical conditions in AGNs are discussed.

Reichert, G. A.↗

Detection of accreting gas toward HD 45677: A newly recognized, Herbig Be proto-planetary system

We report detection of high velocity, accreting gas toward the Be star with IR excess and bipolar nebula, HD 45677. High velocity (+200 to +400 km/s), variable column density gas is visible in all IUE spectra from 1979-1992 in transitions of Si II, C II, Al III, Fe III, Si IV, and C IV. Low-velocity absorption profiles from low oscillator-strength transitions of Si II, Fe II, and Zn II exhibit double-peaked absorption profiles similar to those previously reported in optical spectra of FU Orionis objects. The UV absorption data, together with previously reported analyses of the IR excess and polarization of this object, suggest that HD 45677 is a massive, Herbig Be star with an actively accreting circumstellar, proto-planetary disk.

Grady, C. A.↗

Potential Use of Spaceborne Differential Absorption Radar Measurements of Marine Surface Pressure to Improve Weather and Tropical Cyclone Forecasting

Differential absorption radar (DAR) has been identified as a method to remotely sense surface air pressure, particularly over the marine surface. Such an instrument would provide an estimate of the total atmospheric column oxygen content from which the surface air pressure can be calculated. NASA recently funded the development of a demonstrator instrument, the airborne Microwave Barometric Radar and Sounder (MBARS) to test and evaluate this retrieval. The potential impact of surface pressure observations from a spaceborne sensor is evaluated using the updated NASA/GMAO global Observing System Simulation Experiment framework. Initial experiments showing the impact of different orbital configurations of DAR surface pressure measurements on overall NWP will be shown, including Forecast Sensitivity Observation Impact metrics. Case studies of satellite-based surface air pressure retrievals on tropical cyclones will also be discussed.

DAR↗

Diffuse interstellar bands versus known atomic and molecular species in the interstellar medium of M82 toward SN 2014J

We discuss the absorption due to various constituents of the interstellar medium (ISM) of M82 seen in moderately high-resolution, high signal-to-noise ratio optical spectra of SN 2014J. Complex absorption from M82 is seen, at velocities 45 ≲ v {sub LSR} ≲ 260 km s{sup –1}, for Na I, K I, Ca I, Ca II, CH, CH{sup +}, and CN; many of the diffuse interstellar bands (DIBs) are also detected. Comparisons of the column densities of the atomic and molecular species and the equivalent widths of the DIBs reveal both similarities and differences in relative abundances, compared to trends seen in the ISM of our Galaxy and the Magellanic Clouds. Of the 10 relatively strong DIBs considered here, 6 (including λ5780.5) have strengths within ±20% of the mean values seen in the local Galactic ISM, for comparable N(K I); 2 are weaker by 20%-45% and 2 (including λ5797.1) are stronger by 25%-40%. Weaker than 'expected' DIBs (relative to N(K I), N(Na I), and E(B – V)) in some Galactic sight lines and toward several other extragalactic supernovae appear to be associated with strong CN absorption and/or significant molecular fractions. While the N(CH)/N(K I) and N(CN)/N(CH) ratios seen toward SN 2014J are similar to those found in the local Galactic ISM, the combination of high N(CH{sup +})/N(CH) and high W(5797.1)/W(5780.5) ratios has not been seen elsewhere. The centroids of many of the M82 DIBs are shifted relative to the envelope of the K I profile—likely due to component-to-component variations in W(DIB)/N(K I) that may reflect the molecular content of the individual components. We compare estimates for the host galaxy reddening E(B – V) and visual extinction A {sub V} derived from the various interstellar species with the values estimated from optical and near-IR photometry of SN 2014J.

79 ASTRONOMY AND ASTROPHYSICS↗

Buckling failure of square ice-nanotube arrays constrained in graphene nanocapillaries

Graphene confinement provides a new physical and mechanical environment with ultrahigh van der Waals pressure, resulting in new quasi-two-dimensional phases of few-layer ice. Polymorphic transition can occur in bilayer constrained water/ice system. Here, we perform a comprehensive study of the phase transition of AA-stacked bilayer water constrained within a graphene nanocapillary. The compression-limit and superheating-limit (phase) diagrams are obtained, based on the extensive molecular-dynamics simulations at numerous thermodynamic states. Liquid-to-solid, solid-to-solid, and solid-to-liquid-to-solid phase transitions are observed in the compression and superheating of bilayer water. Interestingly, there is a temperature threshold (∼275 K) in the compression-limit diagram, which indicates that the first-order and continuous-like phase transitions of bilayer water depend on the temperature. Two obviously different physical processes, compression and superheating, display similar structural evolution; that is, square ice-nanotube arrays (BL-VHDI) will bend first and then transform into bilayer triangular AA stacking ice (BL-AAI). The superheating limit of BL-VHDI exhibits local maxima, while that of BL-AAI increases monotonically. More importantly, from a mechanics point of view, we propose a novel mechanism of the transformation from BL-VHDI to BL-AAI, both for the compression and superheating limits. This structural transformation can be regarded as the “buckling failure” of the square-ice-nanotube columns, which is dominated by the lateral pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗