Molecular Dynamics Computer Simulation of the Dynamics of Supercooled Silica

We present the results of a large scale computer simulation of supercooled silica. We find that at high temperatures the diffusion constants show a non-Arrhenius temperature dependence whereas at low temperature this dependence is also compatible with an Arrhenius law. We demonstrate that at low temperatures the intermediate scattering function shows a two-step relaxation behavior and that it obeys the time temperature superposition principle. We also discuss the wave-vector dependence of the nonergodicity parameter and the time and temperature dependence of the non-Gaussian parameter.Comment: 5 pages, Latex, 6 postscript figure

Glass-Like Heat Conduction in High-Mobility Crystalline Semiconductors

The thermal conductivity of polycrystalline semiconductors with type-I clathrate hydrate crystal structure is reported. Ge clathrates (doped with Sr and/or Eu) exhibit lattice thermal conductivities typical of amorphous materials. Remarkably, this behavior occurs in spite of the well-defined crystalline structure and relatively high electron mobility ($\sim 100 cm^2/Vs$). The dynamics of dopant ions and their interaction with the polyhedral cages of the structure are a likely source of the strong phonon scattering.Comment: 4 pages, 3 postscript figures, to be published, Phys. Rev. Let

The surface plasmon enhancement effect on adsorbed molecules at elevated temperatures

The surface plasmon enhancement effect on adsorbed molecules at elevated substrate temperatures is studied theoretically using surface enhanced Raman scattering (SERS) as an example. The surface structure is idealized to be a monodisperse spherical particle with its nonlocal dielectric response accounted for. The temperature effects are modeled using a temperature-dependent collision frequency in the Drude model. Numerical results show that only a small decrease in the SERS enhancement ratio occurs for temperatures up to the melting point of the substrate, even for scattering close to the surface plasmon resonance frequency of the metal. More definitive results are subjected to more realistic modeling as well as systematic experimental studies. The implication of this result to other surface photochemical processes is discussed

Machine learning-driven credit risk: a systemic review

Credit risk assessment is at the core of modern economies. Traditionally, it is measured by statistical methods and manual auditing. Recent advances in financial artificial intelligence stemmed from a new wave of machine learning (ML)-driven credit risk models that gained tremendous attention from both industry and academia. In this paper, we systematically review a series of major research contributions (76 papers) over the past eight years using statistical, machine learning and deep learning techniques to address the problems of credit risk. Specifically, we propose a novel classification methodology for ML-driven credit risk algorithms and their performance ranking using public datasets. We further discuss the challenges including data imbalance, dataset inconsistency, model transparency, and inadequate utilization of deep learning models. The results of our review show that: 1) most deep learning models outperform classic machine learning and statistical algorithms in credit risk estimation, and 2) ensemble methods provide higher accuracy compared with single models. Finally, we present summary tables in terms of datasets and proposed models

Budget feasible mechanisms on matroids

Motivated by many practical applications, in this paper we study budget feasible mechanisms where the goal is to procure independent sets from matroids. More specifically, we are given a matroid =(,) where each ground (indivisible) element is a selfish agent. The cost of each element (i.e., for selling the item or performing a service) is only known to the element itself. There is a buyer with a budget having additive valuations over the set of elements E. The goal is to design an incentive compatible (truthful) budget feasible mechanism which procures an independent set of the matroid under the given budget that yields the largest value possible to the buyer. Our result is a deterministic, polynomial-time, individually rational, truthful and budget feasible mechanism with 4-approximation to the optimal independent set. Then, we extend our mechanism to the setting of matroid intersections in which the goal is to procure common independent sets from multiple matroids. We show that, given a polynomial time deterministic blackbox that returns -approximation solutions to the matroid intersection problem, there exists a deterministic, polynomial time, individually rational, truthful and budget feasible mechanism with (3+1) -approximation to the optimal common independent set

Coexisting fast-scale and slow-scale instability in current-mode controlled DC/DC converters : analysis, simulation and experimental results

Author name used in this publication: Chi K. Tse2008-2009 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Shrinking Point Bifurcations of Resonance Tongues for Piecewise-Smooth, Continuous Maps

Resonance tongues are mode-locking regions of parameter space in which stable periodic solutions occur; they commonly occur, for example, near Neimark-Sacker bifurcations. For piecewise-smooth, continuous maps these tongues typically have a distinctive lens-chain (or sausage) shape in two-parameter bifurcation diagrams. We give a symbolic description of a class of "rotational" periodic solutions that display lens-chain structures for a general $N$-dimensional map. We then unfold the codimension-two, shrinking point bifurcation, where the tongues have zero width. A number of codimension-one bifurcation curves emanate from shrinking points and we determine those that form tongue boundaries.Comment: 27 pages, 6 figure

The electronic structure of amorphous silica: A numerical study

We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates from the liquid state to a glass, thus giving access to glass-like configurations with different degrees of disorder [Phys. Rev. B 54, 15808 (1996)]. The electronic structure is described by a tight-binding Hamiltonian. We study the influence of the degree of disorder on the density of states, the localization properties, the optical absorption, the nature of defects within the mobility gap, and on the fluctuations of the Madelung potential, where the disorder manifests itself most prominently. The experimentally observed mismatch between a photoconductivity threshold of 9 eV and the onset of the optical absorption around 7 eV is interpreted by the picture of eigenstates localized by potential energy fluctuations in a mobility gap of approximately 9 eV and a density of states that exhibits valence and conduction band tails which are, even in the absence of defects, deeply located within the former band gap.Comment: 21 pages of Latex, 5 eps figure