Curvature Dependence of Hydrophobic Hydration Dynamics

We investigate the curvature-dependence of water dynamics in the vicinity of hydrophobic spherical solutes using molecular dynamics simulations. For both, the lateral and perpendicular diffusivity as well as for H-bond kinetics of water in the first hydration shell, we find a non-monotonic solute-size dependence, exhibiting extrema close to the well-known structural crossover length scale for hydrophobic hydration. Additionally, we find an apparently anomalous diffusion for water moving parallel to the surface of small solutes, which, however, can be explained by topology effects. The intimate connection between solute curvature, water structure and dynamics has implications for our understanding of hydration dynamics at heterogeneous biomolecular surfaces.Comment: 10 pages, 9 figure

Solvent fluctuations induce non-Markovian kinetics in hydrophobic pocket-ligand binding

We investigate the impact of water fluctuations on the key-lock association kinetics of a hydrophobic ligand (key) binding to a hydrophobic pocket (lock) by means of a minimalistic stochastic model system. It describes the collective hydration behavior of the pocket by bimodal fluctuations of a water-pocket interface that dynamically couples to the diffusive motion of the approaching ligand via the hydrophobic interaction. This leads to a set of overdamped Langevin equations in 2D-coordinate-space, that is Markovian in each dimension. Numerical simulations demonstrate locally increased friction of the ligand, decelerated binding kinetics, and local non-Markovian (memory) effects in the ligand's reaction coordinate as found previously in explicit-water molecular dynamics studies of model hydrophobic pocket-ligand binding [1,2]. Our minimalistic model elucidates the origin of effectively enhanced friction in the process that can be traced back to long-time decays in the force-autocorrelation function induced by the effective, spatially fluctuating pocket-ligand interaction. Furthermore, we construct a generalized 1D-Langevin description including a spatially local memory function that enables further interpretation and a semi-analytical quantification of the results of the coupled 2D-system

Correlating the nanostructure of Al-oxide with deposition conditions and dielectric contributions of two-level systems in perspective of superconducting quantum circuits

This work is concerned with Al/Al-oxide(AlO$_{x}$)/Al-layer systems which are important for Josephson-junction-based superconducting devices such as quantum bits. The device performance is limited by noise, which has been to a large degree assigned to the presence and properties of two-level tunneling systems in the amorphous AlO$_{x}$ tunnel barrier. The study is focused on the correlation of the fabrication conditions, nanostructural and nanochemical properties and the occurrence of two-level tunneling systems with particular emphasis on the AlO$_{x}$-layer. Electron-beam evaporation with two different processes and sputter deposition were used for structure fabrication, and the effect of illumination by ultraviolet light during Al-oxide formation is elucidated. Characterization was performed by analytical transmission electron microscopy and low-temperature dielectric measurements. We show that the fabrication conditions have a strong impact on the nanostructural and nanochemical properties of the layer systems and the properties of two-level tunneling systems. Based on the understanding of the observed structural characteristics, routes are derived towards the fabrication of Al/AlO$_{x}$/Al-layers systems with improved properties.Comment: 28 pages, 4 figure

The ARGUS Vertex Trigger

A fast second level trigger has been developed for the ARGUS experiment which recognizes tracks originating from the interaction region. The processor compares the hits in the ARGUS Micro Vertex Drift Chamber to 245760 masks stored in random access memories. The masks which are fully defined in three dimensions are able to reject tracks originating in the wall of the narrow beampipe of 10.5\,mm radius.Comment: gzipped Postscript, 27 page

Molecular gas heating in Arp 299

Understanding the heating and cooling mechanisms in nearby (Ultra) luminous infrared galaxies can give us insight into the driving mechanisms in their more distant counterparts. Molecular emission lines play a crucial role in cooling excited gas, and recently, with Herschel Space Observatory we have been able to observe the rich molecular spectrum. CO is the most abundant and one of the brightest molecules in the Herschel wavelength range. CO transitions are observed with Herschel, and together, these lines trace the excitation of CO. We study Arp 299, a colliding galaxy group, with one component harboring an AGN and two more undergoing intense star formation. For Arp 299 A, we present PACS spectrometer observations of high-J CO lines up to J=20-19 and JCMT observations of $^{13}$CO and HCN to discern between UV heating and alternative heating mechanisms. There is an immediately noticeable difference in the spectra of Arp 299 A and Arp 299 B+C, with source A having brighter high-J CO transitions. This is reflected in their respective spectral energy line distributions. We find that photon-dominated regions (PDRs) are unlikely to heat all the gas since a very extreme PDR is necessary to fit the high-J CO lines. In addition, this extreme PDR does not fit the HCN observations, and the dust spectral energy distribution shows that there is not enough hot dust to match the amount expected from such an extreme PDR. Therefore, we determine that the high-J CO and HCN transitions are heated by an additional mechanism, namely cosmic ray heating, mechanical heating, or X-ray heating. We find that mechanical heating, in combination with UV heating, is the only mechanism that fits all molecular transitions. We also constrain the molecular gas mass of Arp 299 A to 3e9 Msun and find that we need 4% of the total heating to be mechanical heating, with the rest UV heating

Excitation of the molecular gas in the nuclear region of M82

We present high resolution HIFI spectroscopy of the nucleus of the archetypical starburst galaxy M82. Six 12CO lines, 2 13CO lines and 4 fine-structure lines are detected. Besides showing the effects of the overall velocity structure of the nuclear region, the line profiles also indicate the presence of multiple components with different optical depths, temperatures and densities in the observing beam. The data have been interpreted using a grid of PDR models. It is found that the majority of the molecular gas is in low density (n=10^3.5 cm^-3) clouds, with column densities of N_H=10^21.5 cm^-2 and a relatively low UV radiation field (GO = 10^2). The remaining gas is predominantly found in clouds with higher densities (n=10^5 cm^-3) and radiation fields (GO = 10^2.75), but somewhat lower column densities (N_H=10^21.2 cm^-2). The highest J CO lines are dominated by a small (1% relative surface filling) component, with an even higher density (n=10^6 cm^-3) and UV field (GO = 10^3.25). These results show the strength of multi-component modeling for the interpretation of the integrated properties of galaxies.Comment: Accepted for publication in A&A Letter

Radiative and mechanical feedback into the molecular gas of NGC 253

Starburst galaxies are undergoing intense periods of star formation. Understanding the heating and cooling mechanisms in these galaxies can give us insight to the driving mechanisms that fuel the starburst. Molecular emission lines play a crucial role in the cooling of the excited gas. With SPIRE on the Herschel Space Observatory we have observed the rich molecular spectrum towards the central region of NGC 253. CO transitions from J=4-3 to 13-12 are observed and together with low-J line fluxes from ground based observations, these lines trace the excitation of CO. By studying the CO excitation ladder and comparing the intensities to models, we investigate whether the gas is excited by UV radiation, X-rays, cosmic rays, or turbulent heating. Comparing the $^{12}$CO and $^{13}$CO observations to large velocity gradient models and PDR models we find three main ISM phases. We estimate the density, temperature,and masses of these ISM phases. By adding $^{13}$CO, HCN, and HNC line intensities, we are able to constrain these degeneracies and determine the heating sources. The first ISM phase responsible for the low-J CO lines is excited by PDRs, but the second and third phases, responsible for the mid to high-J CO transitions, require an additional heating source. We find three possible combinations of models that can reproduce our observed molecular emission. Although we cannot determine which of these are preferable, we can conclude that mechanical heating is necessary to reproduce the observed molecular emission and cosmic ray heating is a negligible heating source. We then estimate the mass of each ISM phase; $6\times 10^7$ M$_\odot$ for phase 1 (low-J CO lines), $3\times 10^7$ M$_\odot$ for phase 2 (mid-J CO lines), and $9\times 10^6$ M$_\odot$ for phase 3 (high-J CO lines) for a total system mass of $1\times10^{8}$ M$_\odot$