Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudo-potentials

The scattering-based approach for calculating the ballistic conductance of open quantum systems is generalized to deal with magnetic transition metals as described by ultrasoft pseudo-potentials. As an application we present quantum-mechanical conductance calculations for monatomic Co and Ni nanowires with a magnetization reversal. We find that in both Co and Ni nanowires, at the Fermi energy, the conductance of $d$ electrons is blocked by a magnetization reversal, while the $s$ states (one per spin) are perfectly transmitted. $d$ electrons have a non-vanishing transmission in a small energy window below the Fermi level. Here, transmission is larger in Ni than in Co.Comment: 9 pages, 6 figures, to appear in PR

Phonons Softening in Tip-Stretched Monatomic Nanowires

It has been shown in recent experiments that electronic transport through a gold monatomic nanowire is dissipative above a threshold voltage due to excitation of phonons via the electron-phonon interaction. We address that data by computing, via density functional theory, the zone boundary longitudinal phonon frequency of a perfect monatomic nanowire during its mechanical elongation. The theoretical frequency that we find for an ideally strained nanowire is not compatible with experiment if a uniformly distributed stretch is assumed. With the help of a semi-empirical Au-Au potential, we model the realistic nanowire stretching as exerted by two tips. In this model we see that strain tends to concentrate in the junctions, so that the mean strain of the nanowire is roughly one half of the ideal value. With this reduced strain, the calculated phonon softening is in much better agreement with experiment.Comment: 9 pages,3 figures, Surface Science, in pres

Will the Home Team Win? On the Road to 1.5 Billion Tweets and Six Thousand Baseball Games Providing Insight!!!

Researchers operate with limited budgets and inadequate resources. This prohibits big data research and suppresses innovation needed to direct inquiry and construct robust research-based information systems. Such issues are not insuperable, e.g., this project is initialized with limited resources and attempts to build theory, describe architecture, and set the vision for future work. This first “On the Road to …” paper tenders a methodology that examines the use of social media variables as a proxy for human emotion and epistemic activity. A social media corpus is processed and a regression model considers MLB team wins as the dependent variable and a social media tweet corpus, operationalized via NLP, as the independent variable. Results are presented. Future work describes a predictive GIS artifact that will input, process, and visualize a spatial and time-based, NLP processed, social media corpus and is integration with geospatial indexing

Separatrix Reconnections in Chaotic Regimes

In this paper we extend the concept of separatrix reconnection into chaotic regimes. We show that even under chaotic conditions one can still understand abrupt jumps of diffusive-like processes in the relevant phase-space in terms of relatively smooth realignments of stable and unstable manifolds of unstable fixed points.Comment: 4 pages, 5 figures, submitted do Phys. Rev. E (1998

On-surface and Subsurface Adsorption of Oxygen on Stepped Ag(210) and Ag(410) Surfaces

The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface adsorption results in strong lattice distortion which makes it energetically unfavoured. However subsurface sites are significantly stabilised when a sufficient amount of O adatoms is present on the surface. At high enough O coverage on the Ag(210) surface the mixed on-surface + subsurface O adsorption is energetically favoured with respect to the on-surface only adsorption. Instead, on the Ag(410) surface, at the coverage we have considered (3/8 ML), the existence of stable terrace sites makes the subsurface O incorporation less favourable. These findings are compatible with the results of recent HREEL experiments which have actually motivated this work.Comment: 8 pages, 4 figures and 1 tabl

Mechanical Mixing in Nonlinear Nanomechanical Resonators

Nanomechanical resonators, machined out of Silicon-on-Insulator wafers, are operated in the nonlinear regime to investigate higher-order mechanical mixing at radio frequencies, relevant to signal processing and nonlinear dynamics on nanometer scales. Driven by two neighboring frequencies the resonators generate rich power spectra exhibiting a multitude of satellite peaks. This nonlinear response is studied and compared to $n^{th}$-order perturbation theory and nonperturbative numerical calculations.Comment: 5 pages, 7 figure