The Dynamics of Power laws: Fitness and Aging in Preferential Attachment Trees

Continuous-time branching processes describe the evolution of a population whose individuals generate a random number of children according to a birth process. Such branching processes can be used to understand preferential attachment models in which the birth rates are linear functions. We are motivated by citation networks, where power-law citation counts are observed as well as aging in the citation patterns. To model this, we introduce fitness and age-dependence in these birth processes. The multiplicative fitness moderates the rate at which children are born, while the aging is integrable, so that individuals receives a finite number of children in their lifetime. We show the existence of a limiting degree distribution for such processes. In the preferential attachment case, where fitness and aging are absent, this limiting degree distribution is known to have power-law tails. We show that the limiting degree distribution has exponential tails for bounded fitnesses in the presence of integrable aging, while the power-law tail is restored when integrable aging is combined with fitness with unbounded support with at most exponential tails. In the absence of integrable aging, such processes are explosive.     

Switchable magnetic bottles and field gradients for particle traps

Versatile methods for the manipulation of individual quantum systems, such as confined particles, have become central elements in current developments in precision spectroscopy, frequency standards, quantum information processing, quantum simulation, and alike. For atomic and some subatomic particles, both neutral and charged, a precise control of magnetic fields is essential. In this paper, we discuss possibilities for the creation of specific magnetic field configurations which find application in these areas. In particular, we pursue the idea of a magnetic bottle which can be switched on and off by transition between the normal and the superconducting phase of a suitable material in cryogenic environments, for example, in trap experiments in moderate magnetic fields. Methods for a fine-tuning of the magnetic field and its linear and quadratic components in a trap are presented together with possible applications.     

Geometrical analysis of cytochrome c unfolding

A geometrical model has been developed to study the unfolding of iso-1 cytochrome c. The model draws on the crystallographic data reported for this protein. These data were used to calculate the distance between specific residues in the folded state, and in a sequence of extended states defined by n?=?3, 5, 7, 9, 11, 13, and 15 residue units. Exact calculations carried out for each of the 103 residues in the polypeptide chain demonstrate that different regions of the chain have different unfolding histories. Regions where there is a persistence of compact structures can be identified, and this geometrical characterization is fully consistent with analyses of time-resolved fluorescence energy-transfer (TrFET) data using dansyl-derivatized cysteine side-chain probes at positions 39, 50, 66, 85, and 99. The calculations were carried out assuming that different regions of the polypeptide chain unfold synchronously. To test this assumption, lattice Monte Carlo simulations were performed to study systematically the possible importance of asynchronicity. Calculations show that small departures from synchronous dynamics can arise if displacements of residues in the main body of the chain are much more sluggish than near-terminal residues.     

Theoretical study of new acceptor and donor molecules based on polycyclic aromatic hydrocarbons

Functionalized polycyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in which the electronic state of the graphene-like hydrocarbon part is tuned by the functional group. Searching for new types of donor and acceptor molecules, a set of new PAHs has recently been investigated experimentally using ultraviolet photoelectron spectroscopy (UPS). In this work, the electronic structure of the PAHs is studied theoretically with the help of B3LYP hybrid density functionals. Using the ΔSCF method, electron binding energies have been determined which affirm, specify and complement the UPS data. Symmetry properties of molecular orbitals are analyzed for a categorization and an estimate of the related signal strength. While σ-like orbitals are difficult to detect in UPS spectra of condensed film, calculation provides a detailed insight into the hidden parts of the electronic structure of donor and acceptor molecules. In addition, a diffuse basis set (6-311++G**) was used to calculate electron affinity and LUMO eigenvalues. The calculated electron affinity (EA) provides a classification of the donor/acceptor properties of the studied molecules. Coronene-hexaone shows a high EA, comparable to TCNQ, which is a well-known classical acceptor. Calculated HOMO-LUMO gaps using the related eigenvalues have a good agreement with the experimental lowest excitation energies. TD-DFT also accurately predicts the measured optical gap.     

Inverse relation between photocurrent and absorption layer thickness in polymer solar cells

Organic solar cells based on polymer–fullerene bulk heterojunctions were optimised with respect to the short circuit photocurrent by means of optical modelling. Due to interference effects present in the thin film multilayer device, an inverse relation between active layer thickness and photocurrent was predicted and experimentally verified. Optimised photovoltaic devices yield power conversion efficiencies of 4%. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

On the stability of Archimedean tilings formed by patchy particles

We have investigated the possibility of decorating, using a bottom-up strategy, patchy particles in such a way that they self-assemble in (two-dimensional) Archimedean tilings. Except for the trihexagonal tiling, we have identified conditions under which this is indeed possible. The more compact tilings, i.e., the elongated triangular and the snub square tilings (which are built up by triangles and squares only) are found to be stable up to intermediate pressure values in the vertex representation, i.e., where the tiling is decorated with particles at its vertices. The other tilings, which are built up by rather large hexagons, octagons and dodecagons, are stable over a relatively large pressure range in the centre representation where the particles occupy the centres of the polygonal units.     

A cross-spectrum weighting algorithm for speech enhancement and array processing: combining phase-shift information and stationary signal properties

In this paper, a gain function for noise cancellation with a two-channel microphone array is presented. This gain function combines ideas from one- and multichannel algorithms. It is developed using a minimum mean square error estimator for the amplitude of the speech signal from the cross spectrum between two microphone signals. To consider speech pauses and the absence of spectral components of the speech, an extension of this gain function is presented. The performance of the overall gain function is shown in terms of the cancellation of (diffuse) driving noise as well as the cancellation of an interfering speech signal, both recorded in a car.     

Deterministic single-photon source for distributed quantum networking

A sequence of single photons is emitted on demand from a single three-level atom strongly coupled to a high-finesse optical cavity. The photons are generated by an adiabatically driven stimulated Raman transition between two atomic ground states, with the vacuum field of the cavity stimulating one branch of the transition, and laser pulses deterministically driving the other branch. This process is unitary and therefore intrinsically reversible, which is essential for quantum communication and networking, and the photons should be appropriate for all-optical quantum information processing.     

Shock-bubble interactions : Generation and evolution of vorticity in two-dimensional supersonic flows

We present high resolution simulations with the PPM code of shock-bubble interactions coresponding to the recent Haas-Sturtevant experiments. VCR cinemas show and diagnostic interpretations quantify the variety of shock-vortex interactions