Kohn Anomalies and Electron-Phonon Interaction in Graphite

We demonstrate that graphite phonon dispersions have two Kohn anomalies at the Gamma-E_2g and K-A'1 modes. The anomalies are revealed by two sharp kinks. By an exact analytic derivation, we show that the slope of these kinks is proportional to the square of the electron-phonon coupling (EPC). Thus, we can directly measure the EPC from the experimental dispersions. The Gamma-E_2g and K-A'1 EPCs are particularly large, whilst they are negligible for all the other modes at Gamma and K.Comment: 4 pages, 2 figure

Optimal Content Placement in ICN Vehicular Networks

Information Centric Networking (ICN) is a networking framework for content distribution. The communication is based on a request/response model where the attention is centered on the content. The user sends interest messages naming the content it desires and the network chooses the best node from which delivers the content. This way for retrieving contents naturally fits a context where users continuously change their location. One of the main problems of user mobility is the intermittent connectivity that causes loss of packets. This work shows how in a Vehicle-to-Infrastructure scenario, the network can exploit the ICN architecture with content pre-distribution to maximize the probability that the user retrieves the desired content. We give an ILP formulation of the problem of optimally distributing the contents in the network nodes and discuss how the system assumptions impact the success probability. Moreover, we validate our model by means of simulations with ndnSIM

All-electron magnetic response with pseudopotentials: NMR chemical shifts

A theory for the ab initio calculation of all-electron NMR chemical shifts in insulators using pseudopotentials is presented. It is formulated for both finite and infinitely periodic systems and is based on an extension to the Projector Augmented Wave approach of Bloechl [P. E. Bloechl, Phys. Rev. B 50, 17953 (1994)] and the method of Mauri et al [F. Mauri, B.G. Pfrommer, and S.G. Louie, Phys. Rev. Lett. 77, 5300 (1996)]. The theory is successfully validated for molecules by comparison with a selection of quantum chemical results, and in periodic systems by comparison with plane-wave all-electron results for diamond.Comment: 25 pages, 4 tables, submitted to Physical Review

Total energy global optimizations using non orthogonal localized orbitals

An energy functional for orbital based $O(N)$ calculations is proposed, which depends on a number of non orthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical potential, determining the number of electrons. We show that the minimization of the functional with respect to overlapping localized orbitals can be performed so as to attain directly the ground state energy, without being trapped at local minima. The present approach overcomes the multiple minima problem present within the original formulation of orbital based $O(N)$ methods; it therefore makes it possible to perform $O(N)$ calculations for an arbitrary system, without including any information about the system bonding properties in the construction of the input wavefunctions. Furthermore, while retaining the same computational cost as the original approach, our formulation allows one to improve the variational estimate of the ground state energy, and the energy conservation during a molecular dynamics run. Several numerical examples for surfaces, bulk systems and clusters are presented and discussed.Comment: 24 pages, RevTex file, 5 figures available upon reques

Ab-initio theory of NMR chemical shifts in solids and liquids

We present a theory for the ab-initio computation of NMR chemical shifts (sigma) in condensed matter systems, using periodic boundary conditions. Our approach can be applied to periodic systems such as crystals, surfaces, or polymers and, with a super-cell technique, to non-periodic systems such as amorphous materials, liquids, or solids with defects. We have computed the hydrogen sigma for a set of free molecules, for an ionic crystal, LiH, and for a H-bonded crystal, HF, using density functional theory in the local density approximation. The results are in excellent agreement with experimental data.Comment: to appear in Physical Review Letter

Superspace calculation of the four-loop spectrum in N=6 supersymmetric Chern-Simons theories

Using N=2 superspace techniques we compute the four-loop spectrum of single trace operators in the SU(2) x SU(2) sector of ABJM and ABJ supersymmetric Chern-Simons theories. Our computation yields a four-loop contribution to the function h^2(\lambda) (and its ABJ generalization) in the magnon dispersion relation which has fixed maximum transcendentality and coincides with the findings in components given in the revised versions of arXiv:0908.2463 and arXiv:0912.3460. We also discuss possible scenarios for an all-loop function h^2(\lambda) that interpolates between weak and strong couplings.Comment: LaTeX, feynmp, 34 pages; v2: typos corrected, formulations improved, references adde

MODELLING OF POWDER FLOW IN ROTATIONAL MOULDING

Rotational moulding is a widely used technological process to obtain hollow plastic articles, in which polymer powders melt within a rotating mould. The first step in modelling the melting process is to analyse the kinematics of the powder in the rotating system. To this goal, a series of experimental observations was performed on a rotating cylinder partially filled with a powder (Sand X, average size 460 microns) with known physical characteristics (such as angles of repose and angles of approach). A phenomenological model was then developed, based on the assumption that the powder behaves as a Bingham-plastic fluid, obtaining theoretical predictions which were in good agreement with the experimental measurements