First-principles kinetic Monte Carlo simulations for heterogeneous catalysis, applied to the CO oxidation at RuO2(110)

We describe a first-principles statistical mechanics approach enabling us to simulate the steady-state situation of heterogeneous catalysis. In a first step density-functional theory together with transition-state theory is employed to obtain the energetics of all relevant elementary processes. Subsequently the statistical mechanics problem is solved by the kinetic Monte Carlo method, which fully accounts for the correlations, fluctuations, and spatial distributions of the chemicals at the surface of the catalyst under steady-state conditions. Applying this approach to the catalytic oxidation of CO at RuO2(110), we determine the surface atomic structure and composition in reactive environments ranging from ultra-high vacuum (UHV) to technologically relevant conditions, i.e. up to pressures of several atmospheres and elevated temperatures. We also compute the CO2 formation rates (turnover frequencies). The results are in quantitative agreement with all existing experimental data. We find that the high catalytic activity of this system is intimately connected with a disordered, dynamic surface ``phase'' with significant compositional fluctuations. In this active state the catalytic function results from a self-regulating interplay of several elementary processes.Comment: 18 pages including 9 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.htm

Renormalization of the Topological Charge in Yang-Mills Theory

The conditions leading to a nontrivial renormalization of the topological charge in four--dimensional Yang--Mills theory are discussed. It is shown that if the topological term is regarded as the limit of a certain nontopological interaction, quantum effects due to the gauge bosons lead to a finite multiplicative renormalization of the theta--parameter while fermions give rise to an additional shift of theta. A truncated form of an exact renormalization group equation is used to study the scale dependence of the theta--parameter. Possible implications for the strong CP--problem of QCD are discussed.Comment: 31 pages, late

Quantum Gravity effects near the null black hole singularity

The structure of the Cauchy Horizon singularity of a black hole formed in a generic collapse is studied by means of a renormalization group equation for quantum gravity. It is shown that during the early evolution of the Cauchy Horizon the increase of the mass function is damped when quantum fluctuations of the metric are taken into account.Comment: 15 Pages, one figure. Minor changes in the presentation, to appear on Phys.Rev.

The heat-kernel and the average effective potential

We discuss the definition of the average effective action in terms of the heat-kernel. As an example we examine a model describing a self-interacting scalar field, both in flat and curved background, and study the renormalization group flow of some of the parameters characterizing its effective potential. Some implications of the running of these parameters for inflationary cosmology are also briefly discussed.Comment: 9 pages, plain-Te

Running Gauge Coupling in Asymptotically Safe Quantum Gravity

We investigate the non-perturbative renormalization group behavior of the gauge coupling constant using a truncated form of the functional flow equation for the effective average action of the Yang-Mills-gravity system. We find a non-zero quantum gravity correction to the standard Yang-Mills beta function which has the same sign as the gauge boson contribution. Our results fit into the picture according to which Quantum Einstein Gravity (QEG) is asymptotically safe, with a vanishing gauge coupling constant at the non-trivial fixed point.Comment: 27 page

Fluorescent nanodiamonds for FRET-based monitoring of a single biological nanomotor FoF1-ATP synthase

Color centers in diamond nanocrystals are a new class of fluorescence markers that attract significant interest due to matchless brightness, photostability and biochemical inertness. Fluorescing diamond nanocrystals containing defects can be used as markers replacing conventional organic dye molecules, quantum dots or autofluorescent proteins. They can be applied for tracking and ultrahigh-resolution localization of the single markers. In addition the spin properties of diamond defects can be utilized for novel magneto-optical imaging (MOI) with nanometer resolution. We develop this technique to unravel the details of the rotary motions and the elastic energy storage mechanism of a single biological nanomotor FoF1-ATP synthase. FoF1-ATP synthase is the enzyme that provides the 'chemical energy currency' adenosine triphosphate, ATP, for living cells. The formation of ATP is accomplished by a stepwise internal rotation of subunits within the enzyme. Previously subunit rotation has been monitored by single-molecule fluorescence resonance energy transfer (FRET) and was limited by the photostability of the fluorophores. Fluorescent nanodiamonds advance these FRET measurements to long time scales.Comment: 10 pages, 4 figure

Zu den Schnittmengen und zur Polyvalenz erziehungswissenschaftlicher Studiengänge

Zunächst skizziert der Autor den Stand der Entwicklung erziehungswissenschaftlicher Kerncurricula sowie die Bedeutung des Kerncurriculums. „Vor diesem Hintergrund wird nachfolgend zunächst ein Blick auf die Polyvalenzoptionen in den von der Strukturkommission des DGfE-Vorstands entwickelten erziehungswissenschaftlichen Studienmodellen geworfen. Im Anschluss daran wird der studienpraktisch nicht ganz unerheblichen Frage nachgegangen, ob und in welchem Umfang Schnittmengen zwischen den verschiedenen erziehungswissenschaftlichen Studiengängen bestehen, die an vielen Hochschulen conditio sine qua non eines selbständigen Angebots erziehungswissenschaftlicher BA- und MA-Studiengänge neben den Lehramtsstudiengängen sind.“ (DIPF/ ssch

Renormalization group improved gravitational actions: a Brans-Dicke approach

A new framework for exploiting information about the renormalization group (RG) behavior of gravity in a dynamical context is discussed. The Einstein-Hilbert action is RG-improved by replacing Newton's constant and the cosmological constant by scalar functions in the corresponding Lagrangian density. The position dependence of $G$ and $\Lambda$ is governed by a RG equation together with an appropriate identification of RG scales with points in spacetime. The dynamics of the fields $G$ and $\Lambda$ does not admit a Lagrangian description in general. Within the Lagrangian formalism for the gravitational field they have the status of externally prescribed ``background'' fields. The metric satisfies an effective Einstein equation similar to that of Brans-Dicke theory. Its consistency imposes severe constraints on allowed backgrounds. In the new RG-framework, $G$ and $\Lambda$ carry energy and momentum. It is tested in the setting of homogeneous-isotropic cosmology and is compared to alternative approaches where the fields $G$ and $\Lambda$ do not carry gravitating 4-momentum. The fixed point regime of the underlying RG flow is studied in detail.Comment: LaTeX, 72 pages, no figure

Long-term observations of Uranus and Neptune at 90 GHz with the IRAM 30m telescope - (1985 -- 2005)

The planets Uranus and Neptune with small apparent diameters are primary calibration standards. We investigate their variability at ~90 GHz using archived data taken at the IRAM 30m telescope during the 20 years period 1985 to 2005. We calibrate the planetary observations against non-variable secondary standards (NGC7027, NGC7538, W3OH, K3-50A) observed almost simultaneously. Between 1985 and 2005, the viewing angle of Uranus changed from south-pole to equatorial. We find that the disk brightness temperature declines by almost 10% (~2sigma) over this time span indicating that the south-pole region is significantly brighter than average. Our finding is consistent with recent long-term radio observations at 8.6 GHz by Klein & Hofstadter (2006). Both data sets do moreover show a rapid decrease of the Uranus brightness temperature during the year 1993, indicating a temporal, planetary scale change. We do not find indications for a variation of Neptune's brightness temperature at the 8% level. If Uranus is to be used as calibration source, and if accuracies better than 10% are required, the Uranus sub-earth point latitude needs to be taken into account.Comment: accepted for publication in A&