Mean-atom-trajectory model for the velocity autocorrelation function of monatomic liquids

We present a model for the motion of an average atom in a liquid or supercooled liquid state and apply it to calculations of the velocity autocorrelation function $Z(t)$ and diffusion coefficient $D$. The model trajectory consists of oscillations at a distribution of frequencies characteristic of the normal modes of a single potential valley, interspersed with position- and velocity-conserving transits to similar adjacent valleys. The resulting predictions for $Z(t)$ and $D$ agree remarkably well with MD simulations of Na at up to almost three times its melting temperature. Two independent processes in the model relax velocity autocorrelations: (a) dephasing due to the presence of many frequency components, which operates at all temperatures but which produces no diffusion, and (b) the transit process, which increases with increasing temperature and which produces diffusion. Because the model provides a single-atom trajectory in real space and time, including transits, it may be used to calculate all single-atom correlation functions.Comment: LaTeX, 8 figs. This is an updated version of cond-mat/0002057 and cond-mat/0002058 combined Minor changes made to coincide with published versio

Electronic and Magnetic Properties of Nanographite Ribbons

Electronic and magnetic properties of ribbon-shaped nanographite systems with zigzag and armchair edges in a magnetic field are investigated by using a tight binding model. One of the most remarkable features of these systems is the appearance of edge states, strongly localized near zigzag edges. The edge state in magnetic field, generating a rational fraction of the magnetic flux (\phi= p/q) in each hexagonal plaquette of the graphite plane, behaves like a zero-field edge state with q internal degrees of freedom. The orbital diamagnetic susceptibility strongly depends on the edge shapes. The reason is found in the analysis of the ring currents, which are very sensitive to the lattice topology near the edge. Moreover, the orbital diamagnetic susceptibility is scaled as a function of the temperature, Fermi energy and ribbon width. Because the edge states lead to a sharp peak in the density of states at the Fermi level, the graphite ribbons with zigzag edges show Curie-like temperature dependence of the Pauli paramagnetic susceptibility. Hence, it is shown that the crossover from high-temperature diamagnetic to low-temperature paramagnetic behavior of the magnetic susceptibility of nanographite ribbons with zigzag edges.Comment: 13 pages including 19 figures, submitted to Physical Rev

Refining human palaeodietary reconstruction using amino acid delta N-15 values of plants, animals and humans.

An established method of estimating the trophic level of an organism is through stable isotope analysis of its tissues and those of its diet. This method has been used in archaeology to reconstruct past human diet from the stable nitrogen isotope (d15N) values of human and herbivore bone collagen. However, this approach, using the 15N-enrichment of human bone collagen d15N values over associated herbivore bone collagen d15N values to predict the relative importance of animal protein, relies on the assumptions that: (i) the d15N values of plants consumed by humans and herbivores are identical, and (ii) the 15Nenrichment between diet and consumer is consistent. Bone collagen amino acid d15N values have the potential to tackle these uncertainties, as they constrain the factors influencing bone collagen d15N values. In this study, the d15N values of glutamic acid and phenylalanine in human and herbivore bone collagen isolates from Neolithic sites in Germany, Greece and Turkey were determined by gas chromatography-combustion-isotope ratio mass spectrometry. The fraction of animal protein in total dietary protein consumed by the humans was estimated by: (i) comparing bulk human and herbivore collagen d15N values, (ii) comparing bulk human and herbivore collagen and ancient charred cereal grain d15N values, (iii) comparing human bone collagen d15NGlutamic acid and d15NPhenylalanine values, and (iv) comparing d15NGlutamic acid values of human and herbivore bone collagen and estimated d15NGlutamic acid values of ancient charred cereal grains. Where determined cereal grain d15N values are higher than estimated herbivore forage values, estimates of animal protein consumption are significantly lower, emphasising the importance of the plant nitrogen contribution to human bone collagen. This study also highlights the need for further investigation into: (i) the D15NConsumer-Diet values of glutamic acid and phenylalanine in terrestrial ecosystems, and (ii) D15NGlutamic acid-Phenylalanine values of common plant foods in order to improve the accuracy and more widespread applicability of amino acid-based methods for palaeodietary reconstruction

Relativistic effects and quasipotential equations

We compare the scattering amplitude resulting from the several quasipotential equations for scalar particles. We consider the Blankenbecler-Sugar, Spectator, Thompson, Erkelenz-Holinde and Equal-Time equations, which were solved numerically without decomposition into partial waves. We analyze both negative-energy state components of the propagators and retardation effects. We found that the scattering solutions of the Spectator and the Equal-Time equations are very close to the nonrelativistic solution even at high energies. The overall relativistic effect increases with the energy. The width of the band for the relative uncertainty in the real part of the scattering $T$ matrix, due to different dynamical equations, is largest for backward-scattering angles where it can be as large as 40%.Comment: Accepted for publication in Phys. Rev.

Shadowing in photo-production : role of in-medium hadrons

We study the effects of in-medium hadronic properties on shadowing in photon-nucleus interactions in Glauber model as well as in the multiple scattering approach. A reasonable agreement with the experimental data is obtained in a scenario of downward spectral shift of the hadrons. Shadowing is found to be insensitive to the broadening of the spectral functions. An impact parameter dependent analysis of shadowing might shed more light on the role of in-medium properties of hadrons.Comment: Title modified; version to appear in PRC, Rapid Communication

Towards a population of HMXB/NS microquasars as counterparts of low-latitude unidentified EGRET sources

The discovery of the microquasar LS 5039 well within the 95% conficence contour of the Unidentified EGRET Source (UES) 3EG J1824-1514 was a major step towards the possible association between microquasars (MQs) and UESs. The recent discovery of precessing relativistic radio jets in LS I +61 303, a source associated for long time with 2CG 135+01 and with the UES 3EG J0241+6103, has given further support to this idea. Finally, the very recently proposed association between the microquasar candidate AX J1639.0-4642 and the UES 3EG J1639-4702 points towards a population of High Mass X-ray Binary (HMXB)/Neutron Star (NS) microquasars as counterparts of low-latitude unidentified EGRET sources.Comment: 12 pages, 7 figures. Proceedings of the Conference "The Multiwavelength Approach to Unidentified Gamma-ray Sources", to appear in the journal Astrophysics and Space Scienc

Line shape and composition of the In 3d5/2 core-level photoemission for the interface analysis of In-containing III-V semiconductors

The In 3d5/2 photoelectron spectroscopy peak has been widely used to determine the interface structures of In-containing III-V device materials (e.g., oxidation states). However, an unclear parameter affecting the determination of the energy shifts and number of the core-level components, and therefore, the interpreted interface structure and composition, is still the intrinsic In 3d5/2 peak line shape. It is undecided whether the line shape is naturally symmetric or asymmetric for pure In-containing III-V compounds. By using high-resolution photoelectron spectroscopy, we show that the In 3d5/2 asymmetry arising from the emission at high binding-energy tail is not an intrinsic property of InAs, InP, InSb and InGaAs. Furthermore, it is shown that asymmetry of In 3d5/2 peaks of pure III-V&rsquo;s originates from the natural surface reconstructions which cause the coexistence of slightly shifted In 3d5/2 &nbsp;components with the symmetric peak shape and dominant Lorentzian broadening.</p