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

A Dense Gas Trigger for OH Megamasers

HCN and CO line diagnostics provide new insight into the OH megamaser (OHM) phenomenon, suggesting a dense gas trigger for OHMs. We identify three physical properties that differentiate OHM hosts from other starburst galaxies: (1) OHMs have the highest mean molecular gas densities among starburst galaxies; nearly all OHM hosts have = 10^3-10^4 cm^-3 (OH line-emitting clouds likely have n(H2) > 10^4 cm^-3). (2) OHM hosts are a distinct population in the nonlinear part of the IR-CO relation. (3) OHM hosts have exceptionally high dense molecular gas fractions, L(HCN)/L(CO)>0.07, and comprise roughly half of this unusual population. OH absorbers and kilomasers generally follow the linear IR-CO relation and are uniformly distributed in dense gas fraction and L(HCN), demonstrating that OHMs are independent of OH abundance. The fraction of non-OHMs with high mean densities and high dense gas fractions constrains beaming to be a minor effect: OHM emission solid angle must exceed 2 pi steradians. Contrary to conventional wisdom, IR luminosity does not dictate OHM formation; both star formation and OHM activity are consequences of tidal density enhancements accompanying galaxy interactions. The OHM fraction in starbursts is likely due to the fraction of mergers experiencing a temporal spike in tidally driven density enhancement. OHMs are thus signposts marking the most intense, compact, and unusual modes of star formation in the local universe. Future high redshift OHM surveys can now be interpreted in a star formation and galaxy evolution context, indicating both the merging rate of galaxies and the burst contribution to star formation.Comment: 5 pages, 3 figures, 1 table, accepted by ApJ Letter

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

Aharonov-Bohm-like effect for light propagating in nematics with disclinations

Using a geometric approach for the propagation of light in anisotropic media, we investigate what effect the director field of disclinations may have on the polarization state of light. Parallel transport around the defect, of the spinor describing the polarization, indicates the acquisition of a topological phase, in analogy with the Aharonov-Bohm effect.Comment: 6 pages, to appear in Europhysics Letter

Chiral segregation driven by a dynamical response of the adsorption footprint to the local adsorption environment: Bitartrate on Cu(110)

Local or global ordering of chiral molecules at a surface is a key step in both chiral separation and heterogeneous enantioselective catalysis. Using density functional theory and scanning probe microscopy results, we find that the accepted structural model for the well known bitartrate on Cu(110) chiral system cannot account for the chiral segregation observed. Instead, we show that this strongly bound, chiral adsorbate changes its adsorption footprint in response to the local environment. The flexible adsorption geometry allows bitartrate to form stable homochiral trimer chains in which the central molecule restructures from a rectangular to an oblique footprint, breaking its internal hydrogen bonds in order to form strong intermolecular hydrogen bonds to neighbouring adsorbates. Racemic structures containing mixed enantiomers do not form strong hydrogen bonds, providing the thermodynamic driving force for the chiral separation that is observed experimentally. This result shows the importance of considering the dynamical response of molecular adsorption footprints at the surface in directing chiral assembly and segregation. The ability of strongly-chemisorbed enantiomers to change footprint depending on the local adsorption environment indicates that supramolecular assemblies at surfaces may exhibit more complex dynamical behaviour than hitherto suspected, which, ultimately, could be tailored to lead to environment and stimuli-responsive chiral surfaces

Using a data-driven approach to examine facility use definitions in campus recreation

Existing research in campus recreation establishes a relationship between facility use and academic outcomes, but published studies define users differently. In response to inconsistent definitions of participants in campus recreation, this study uses a data-driven approach to compare facility use definitions. Authors illustrate the implications of choosing different participant definitions for relationships between campus recreation and two undergraduate academic outcomes, first-year retention and first-year cumulative grade point average (GPA). This study uses data from a three-year timeframe, linking sources of data on students’ recreation facility use, academic outcomes, and student records. Authors provide a summary of previous definitions, results from original regression analyses, results for specific student subgroups, and recommendations for defining users

The Relationship Between Campus Recreation Facility Use and Retention for First-Time Undergraduate Students

This study examines the relationship between campus recreation facility access and first-year retention of full-time, first-time undergraduate students at a public university for 2014–2015 through 2016–2017. Authors examine differences between facility users and nonusers by pairing facility swipe card data with student records. Statistical analysis includes logistic regression and matching approaches, controlling for student demographics, academic preparedness, academic goals, family characteristics, and various environmental factors. Results show a positive and significant relationship between recreation facility use and retention, including 7.1 to 8.4 percentage points higher retention for users versus nonusers, holding other variables constant. Subsample analysis suggests the relationship between recreation facility use and retention differs across student subgroups. Key study contributions include linking card swipe data on facility usage with extensive student records, clearly defining facility users and nonusers, and introducing a new robustness check based on assignment of students to residence halls different distances from recreation facilities