High-dimensional quantum dynamics of adsorption and desorption of H2_2 at Cu(111)

We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is obtained from density functional theory calculations. Two regimes of dynamics are found, at low energies sticking is determined by the minimum energy barrier, at high energies by the distribution of barrier heights. Experimental results are well-reproduced qualitatively, but some quantitative discrepancies are identified as well.Comment: 4 two column pages, revtex, 4 figures, to appear in Phys. Rev. Let

Peculiar Broad Absorption Line Quasars found in DPOSS

With the recent release of large (i.e., > hundred million objects), well-calibrated photometric surveys, such as DPOSS, 2MASS, and SDSS, spectroscopic identification of important targets is no longer a simple issue. In order to enhance the returns from a spectroscopic survey, candidate sources are often preferentially selected to be of interest, such as brown dwarfs or high redshift quasars. This approach, while useful for targeted projects, risks missing new or unusual species. We have, as a result, taken the alternative path of spectroscopically identifying interesting sources with the sole criterion being that they are in low density areas of the g - r and r - i color-space defined by the DPOSS survey. In this paper, we present three peculiar broad absorption line quasars that were discovered during this spectroscopic survey, demonstrating the efficacy of this approach. PSS J0052+2405 is an Iron LoBAL quasar at a redshift z = 2.4512 with very broad absorption from many species. PSS J0141+3334 is a reddened LoBAL quasar at z = 3.005 with no obvious emission lines. PSS J1537+1227 is a Iron LoBAL at a redshift of z = 1.212 with strong narrow Mgii and Feii emission. Follow-up high resolution spectroscopy of these three quasars promises to improve our understanding of BAL quasars. The sensitivity of particular parameter spaces, in this case a two-color space, to the redshift of these three sources is dramatic, raising questions about traditional techniques of defining quasar populations for statistical analysis.Comment: 27 pages, 13 figures, Accepted to the Astronomical Journa

Thickness-dependent thermal properties of amorphous insulating thin films measured by photoreflectance microscopy

In this work, we report on the measurement of the thermal conductivity of thin insulating films of SiO2 obtained by thermal oxidation, and Al2O3 grown by atomic layer deposition (ALD), both on Si wafers. We used photoreflectance microscopy to determine the thermal properties of the films as a function of thickness in the 2 nm to 1000 nm range. The effective thermal conductivity of the Al2O3 layer is shown to decrease with thickness down to 70% for the thinnest layers. The data were analyzed upon considering that the change in the effective thermal conductivity corresponds to an intrinsic thermal conductivity associated to an additional interfacial thermal resistance. The intrinsic conductivity and interfacial thermal resistance of SiO2 were found to be equal to 0.95 W/m·K and 5.1 × 10− 9 m2K/W respectively; those of Al2O3 were found to be 1.56 W/m·K and 4.3 × 10− 9 m2K/W

Calcium isotopic composition of high-latitude proxy carrier Neogloboquadrina pachyderma (sin.)

International audienceThe accurate reconstruction of sea surface temperature (SST) history in climate-sensitive regions (e.g. tropical and polar oceans) became a challenging task in palaeoceanographic research. However, biogenic shell carbonate SST proxies successfully developed for tropical regions often fail in cool water environments. Their major regional shortcomings and the cryptic diversity now found within the major high latitude proxy carrier Neogloboquadrina pachyderma (sin.) highlight an urgent need to develop complementary SST proxies for these cool water regions. Here we incorporate the genetic component into a calibration study of a new SST proxy for the high latitudes. We found that the calcium isotopic composition (?44/40Ca) of calcite from genotyped net catches and core-top samples of the planktonic foraminifera Neogloboquadrina pachyderma (sin) is strongly related to temperature and unaffected by genetic variations. The temperature sensitivity has been found to be 0.17 (±0.04)? per 1°C highlighting its potential for downcore applications in open marine cool-water environments. Our results further indicate that however in extreme polar environments, below a critical threshold temperature of 2.0 (±0.5)°C and salinity of 33.0 (±0.5)? a prominent shift in biomineralization affect the Ca isotope composition of N. pachyderma (sin.) becoming insensitive to temperature. These findings highlight the need of systematic calibration studies to unravel the influencing factors on Ca isotope fractionation and to validate the proxies' applicability