The matching problem between functional shapes via a BV-penalty term: a Γ\Gamma-convergence result

In this paper we study a variant of the matching model between functional shapes introduced in \cite{ABN}. Such a model allows to compare surfaces equipped with a signal and the matching energy is defined by the $L^2$-norm of the signal on the surface and a varifold-type attachment term. In this work we study the problem with fixed geometry which means that we optimize the initial signal (supported on the initial surface) with respect to a target signal supported on a different surface. In particular, we consider a $BV$ or $H^1$-penalty for the signal instead of its $L^2$-norm. Several numerical examples are shown in order to prove that the $BV$-penalty improves the quality of the matching. Moreover, we prove a $\Gamma$-convergence result for the discrete matching energy towards the continuous-one

Room temperature Peierls distortion in small radius nanotubes

By means of {\it ab initio} simulations, we investigate the phonon band structure and electron-phonon coupling in small 4-\AA diameter nanotubes. We show that both the C(5,0) and C(3,3) tubes undergo above room temperature a Peierls transition mediated by an acoustical long-wavelength and an optical $q=2k_F$ phonons respectively. In the armchair geometry, we verify that the electron-phonon coupling parameter $\lambda$ originates mainly from phonons at $q=2k_F$ and is strongly enhanced when the diameter decreases. These results question the origin of superconductivity in small diameter nanotubes.Comment: submitted 21oct2004 accepted 6jan2005 (Phys.Rev.Lett.

First-Principle Description of Correlation Effects in Layered Materials

We present a first-principles description of anisotropic materials characterized by having both weak (dispersion-like) and strong covalent bonds, based on the Adiabatic--Connection Fluctuation--Dissipation Theorem within Density Functional Theory. For hexagonal boron nitride the in-plane and out of plane bonding as well as vibrational dynamics are well described both at equilibrium and when the layers are pulled apart. Also bonding in covalent and ionic solids is described. The formalism allows to ping-down the deficiencies of common exchange-correlation functionals and provides insight towards the inclusion of dispersion interactions into the correlation functional.Comment: Accepted for publication in Physical Review Letter

Anomalous Aharonov--Bohm gap oscillations in carbon nanotubes

The gap oscillations caused by a magnetic flux penetrating a carbon nanotube represent one of the most spectacular observation of the Aharonov-Bohm effect at the nano--scale. Our understanding of this effect is, however, based on the assumption that the electrons are strictly confined on the tube surface, on trajectories that are not modified by curvature effects. Using an ab-initio approach based on Density Functional Theory we show that this assumption fails at the nano-scale inducing important corrections to the physics of the Aharonov-Bohm effect. Curvature effects and electronic density spilled out of the nanotube surface are shown to break the periodicity of the gap oscillations. We predict the key phenomenological features of this anomalous Aharonov-Bohm effect in semi-conductive and metallic tubes and the existence of a large metallic phase in the low flux regime of Multi-walled nanotubes, also suggesting possible experiments to validate our results.Comment: 7 figure

A generic framework for context-sensitive analysis of modular programs

Context-sensitive analysis provides information which is potentially more accurate than that provided by context-free analysis. Such information can then be applied in order to validate/debug the program and/or to specialize the program obtaining important improvements. Unfortunately, context-sensitive analysis of modular programs poses important theoretical and practical problems. One solution, used in several proposals, is to resort to context-free analysis. Other proposals do address context-sensitive analysis, but are only applicable when the description domain used satisfies rather restrictive properties. In this paper, we argüe that a general framework for context-sensitive analysis of modular programs, Le., one that allows using all the domains which have proved useful in practice in the non-modular setting, is indeed feasible and very useful. Driven by our experience in the design and implementation of analysis and specialization techniques in the context of CiaoPP, the Ciao system preprocessor, in this paper we discuss a number of design goals for context-sensitive analysis of modular programs as well as the problems which arise in trying to meet these goals. We also provide a high-level description of a framework for analysis of modular programs which does substantially meet these objectives. This framework is generic in that it can be instantiated in different ways in order to adapt to different contexts. Finally, the behavior of the different instantiations w.r.t. the design goals that motivate our work is also discussed

Bending modes, elastic constants and mechanical stability of graphitic systems

The thermodynamic and mechanical properties of graphitic systems are strongly dependent on the shear elastic constant C44. Using state-of-the-art density functional calculations, we provide the first complete determination of their elastic constants and exfoliation energies. We show that stacking misorientations lead to a severe lowering of C44 of at least one order of magnitude. The lower exfoliation energy and the lower C44 (more bending modes) suggest that flakes with random stacking should be easier to exfoliate than the ones with perfect or rhombohedral stacking. We also predict ultralow friction behaviour in turbostratic graphitic systems.Comment: 7 pages, 6 figure

Determination of the Intershell Conductance in Multiwalled Carbon Nanotubes

We report on the intershell electron transport in multiwalled carbon nanotubes (MWNT). To do this, local and nonlocal four-point measurements are used to study the current path through the different shells of a MWNT. For short electrode separations $\lesssim$ 1 $\mu$m the current mainly flows through the two outer shells, described by a resistive transmission line with an intershell conductance per length of ~(10 k\Omega)^{-1}/$\mu$m. The intershell transport is tunnel-type and the transmission is consistent with the estimate based on the overlap between $\pi$-orbitals of neighboring shells.Comment: 5 pages, 4 figure

Issues for the Next Generation of Galaxy Surveys

I argue that the weight of the available evidence favours the conclusions that galaxies are unbiased tracers of mass, the mean mass density (excluding a cosmological constant or its equivalent) is less than the critical Einstein-de Sitter value, and an isocurvature model for structure formation offers a viable and arguably attractive model for the early assembly of galaxies. If valid these conclusions complicate our work of adding structure formation to the standard model for cosmology, but it seems sensible to pay attention to evidence.Comment: 14 pages, 3 postscript figures, uses rspublic.st