Phonon and Elastic Instabilities in MoC and MoN

We present several results related to the instability of MoC and MoN in the B1 (sodium chloride) structure. These compounds were proposed as potential superconductors with moderately high transition temperatures. We show that the elastic instability in B1-structure MoN, demonstrated several years ago, persists at elevated pressures, thus offering little hope of stabilizing this material without chemical doping. For MoC, another material for which stoichiometric fabrication in the B1-structure has not proven possible, we find that all of the cubic elastic constants are positive, indicating elastic stability. Instead, we find X-point phonon instabilities in MoC (and in MoN as well), further illustrating the rich behavior of carbo-nitride materials. We also present additional electronic structure results for several transition metal (Zr, Nb and Mo) carbo-nitride systems and discuss systematic trends in the properties of these materials. Deviations from strict electron counting dependencies are apparent.Comment: 5 pages and 4 trailing figures. Submitted to PR

Fast Searching in Packed Strings

Given strings $P$ and $Q$ the (exact) string matching problem is to find all positions of substrings in $Q$ matching $P$. The classical Knuth-Morris-Pratt algorithm [SIAM J. Comput., 1977] solves the string matching problem in linear time which is optimal if we can only read one character at the time. However, most strings are stored in a computer in a packed representation with several characters in a single word, giving us the opportunity to read multiple characters simultaneously. In this paper we study the worst-case complexity of string matching on strings given in packed representation. Let $m \leq n$ be the lengths $P$ and $Q$, respectively, and let $\sigma$ denote the size of the alphabet. On a standard unit-cost word-RAM with logarithmic word size we present an algorithm using time O\left(\frac{n}{\log_\sigma n} + m + \occ\right). Here \occ is the number of occurrences of $P$ in $Q$. For $m = o(n)$ this improves the $O(n)$ bound of the Knuth-Morris-Pratt algorithm. Furthermore, if $m = O(n/\log_\sigma n)$ our algorithm is optimal since any algorithm must spend at least \Omega(\frac{(n+m)\log \sigma}{\log n} + \occ) = \Omega(\frac{n}{\log_\sigma n} + \occ) time to read the input and report all occurrences. The result is obtained by a novel automaton construction based on the Knuth-Morris-Pratt algorithm combined with a new compact representation of subautomata allowing an optimal tabulation-based simulation.Comment: To appear in Journal of Discrete Algorithms. Special Issue on CPM 200

Topological phase due to electric dipole moment and magnetic monopole interaction

We show that there is an anologous Aharonov-Casher effect on a neutral particle with electric dipole moment interacting with a magnetic filed produced by magnetic monopoles.Comment: 8 page

Superconductivity of metallic boron in MgB_2

Boron in MgB_2 forms layers of honeycomb lattices with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with an ionic component and considerable metallic density of states yield a sizeable electron-phonon coupling. Using the rigid atomic sphere approximation and an analogy to Al, we estimate the coupling constant lambda to be of order 1. Together with high phonon frequencies, which we estimate via zone-center frozen phonon calculations to be between 300 and 700 cm^-1, this produces a high critical temperature, consistent with recent experiments reporting Tc=39 K (J. Akimitsu et al., to be published). Thus MgB_2 can be viewed as an analog of the long sought, but still hypothetical, superconducting metallic hydrogen.Comment: several typos corrected, most importantly, units in the tables fixed and a missing zero in the expression for the resistivity restore

Photon-Photon and Pomeron-Pomeron Processes in Peripheral Heavy Ion Collisions

We estimate the cross sections for the production of resonances, pion pairs and a central cluster of hadrons in peripheral heavy-ion collisions through two-photon and double-pomeron exchange, at energies that will be available at RHIC and LHC. The effect of the impact parameter in the diffractive reactions is introduced, and imposing the condition for realistic peripheral collisions we verify that in the case of very heavy ions the pomeron-pomeron contribution is indeed smaller than the electromagnetic one. However, they give a non-negligible background in the collision of light ions. This diffractive background will be more important at RHIC than at LHC.Comment: 22 pages, 1 Postscript figures, 4 tables, to appear in Phys. Rev.

Pion Generalized Dipole Polarizabilities by Virtual Compton Scattering πe→πeγ\pi e \to \pi e\gamma

We present a calculation of the cross section and the event generator of the reaction $\pi e\to \pi e \gamma$. This reaction is sensitive to the pion generalized dipole polarizabilities, namely, the longitudinal electric $\alpha_L(q^2)$, the transverse electric $\alpha_T(q^2)$, and the magnetic $\beta(q^2)$ which, in the real-photon limit, reduce to the ordinary electric and magnetic polarizabilities $\bar{\alpha}$ and $\bar{\beta}$, respectively. The calculation of the cross section is done in the framework of chiral perturbation theory at ${\cal O}(p^4)$. A pion VCS event generator has been written which is ready for implementation in GEANT simulation codes or for independent use.Comment: 33 pages, Revtex, 15 figure

Molecular dynamics simulation of the order-disorder phase transition in solid NaNO2_2

We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by using different population analysis methods and comparing the intermolecular interactions resulting from this approach with those from the \emph{ab initio} Hartree-Fock calculations. Our numerics shows that the ferroelectric-paraelectric phase transition in solid NaNO$_2$ is triggered by rotation of the nitrite ions around the crystallographical c axis, in agreement with recent X-ray experiments [Gohda \textit{et al.}, Phys. Rev. B \textbf{63}, 14101 (2000)]. The crystal-field effects on the nitrite ion are also addressed. Remarkable internal charge-transfer effect is found.Comment: RevTeX 4.0, 11 figure

Electrostatic potential in a superconductor

The electrostatic potential in a superconductor is studied. To this end Bardeen's extension of the Ginzburg-Landau theory to low temperatures is used to derive three Ginzburg-Landau equations - the Maxwell equation for the vector potential, the Schroedinger equation for the wave function and the Poisson equation for the electrostatic potential. The electrostatic and the thermodynamic potential compensate each other to a great extent resulting into an effective potential acting on the superconducting condensate. For the Abrikosov vortex lattice in Niobium, numerical solutions are presented and the different contributions to the electrostatic potential and the related charge distribution are discussed.Comment: 19 pages, 11 figure

First Measurement of pi e -> pi e gamma Pion Virtual Compton Scattering

Pion Virtual Compton Scattering (VCS) via the reaction pi e --> pi e gamma was observed in the Fermilab E781 SELEX experiment. SELEX used a 600 GeV/c pi- beam incident on target atomic electrons, detecting the incident pi- and the final state pi-, electron and gamma. Theoretical predictions based on chiral perturbation theory are incorporated into a Monte Carlo simulation of the experiment and are compared to the data. The number of reconstructed events (9) and their distribution with respect to the kinematic variables (for the kinematic region studied) are in reasonable accord with the predictions. The corresponding pi- VCS experimental cross section is sigma=38.8+-13 nb, in agreement with the theoretical expectation sigma=34.7 nb.Comment: 10 pages, 12 figures, 4 tables, 25 references, SELEX home page is http://fn781a.fnal.gov/, revised July 21, 2002 in response to journal referee Comment

Exploring the (missed) connections between digital scholarship and faculty development: a conceptual analysis

Abstract The aim of this paper is to explore the relationship between two research topics: digital scholarship and faculty development. The former topic drives attention on academics' new practices in digital, open and networked contexts; the second is focused on the requirements and strategies to promote academics' professional learning and career advancement. The research question addressing this study is: are faculty development strategies hindered by the lack of a cohesive view in the research on digital scholarship? The main assumption guiding this research question is that clear conceptual frameworks and models of professional practice lead to effective faculty development strategies. Through a wide overview of the evolution of both digital scholarship and faculty development, followed by a conceptual analysis of the intersections between fields, the paper attempts to show the extent on which the situation in one area (digital scholarship) might encompass criticalities for the other (faculty development) in terms of research and practices. Furthermore, three scenarios based on the several perspectives of digital scholarship are built in order to explore the research question in depth. We conclude that at the current state of art the relationship between these two topics is weak. Moreover, the dialogue between digital scholarship and faculty development could put the basis to forge effective professional learning contexts and instruments, with the ultimate goal of supporting academics to become digital scholars towards a more open and democratic vision of scholarship