Efficient Recursion Method for Inverting Overlap Matrix

A new O(N) algorithm based on a recursion method, in which the computational effort is proportional to the number of atoms N, is presented for calculating the inverse of an overlap matrix which is needed in electronic structure calculations with the the non-orthogonal localized basis set. This efficient inverting method can be incorporated in several O(N) methods for diagonalization of a generalized secular equation. By studying convergence properties of the 1-norm of an error matrix for diamond and fcc Al, this method is compared to three other O(N) methods (the divide method, Taylor expansion method, and Hotelling's method) with regard to computational accuracy and efficiency within the density functional theory. The test calculations show that the new method is about one-hundred times faster than the divide method in computational time to achieve the same convergence for both diamond and fcc Al, while the Taylor expansion method and Hotelling's method suffer from numerical instabilities in most cases.Comment: 17 pages and 4 figure

Triton photodisintegration in three-dimensional approach

Two- and three- particles photodisintegration of the triton is investigated in a three-dimensional (3D) Faddeev approach. For this purpose the Jacobi momentum vectors for three particles system and spin-isospin quantum numbers of the individual nucleons are considered. Based on this picture the three-nucleon Faddeev integral equations with the two-nucleon interaction are formulated without employing the partial wave decomposition. The single nucleon current as well as $\pi-$ and $\rho-$ like exchange currents are used in an appropriate form to be employed in 3D approach. The exchange currents are derived from AV18 NN force. The two-body t-matrix, Deuteron and Triton wave functions are calculated in the 3D approach by using AV18 potential. Benchmarks are presented to compare the total cross section for the two- and three- particles photodisintegration in the range of $E_{\gamma}<30 MeV$. The 3D Faddeev approach shows promising results

Stochastic Variational Search for ΛΛ4^{4}_{\Lambda\Lambda}H

A four-body calculation of the $pn\Lambda\Lambda$ bound state, $^{\ 4}_{\Lambda\Lambda}$H, is performed using the stochastic variational method and phenomenological potentials. The$NN$,$\Lambda N$, and$\Lambda\Lambda$potentials are taken from a recent Letter by Filikhin and Gal, PRL{\bf 89}, 172502 (2002). Although their Faddeev-Yakubovsky calculation found no bound-state solution over a wide range of$\Lambda\Lambda$interaction strengths, the present variational calculation gives a bound-state energy, which is clearly lower than the$_\Lambda^3{H}+\Lambda$threshold, even for a weak$\Lambda\Lambda$interaction strength deduced from a recent experimental$B_{\Lambda\Lambda}(^{6}_{\Lambda\Lambda}{He})$value. The binding energies obtained are close to, and slightly larger than, the values obtained from the three-body$d\Lambda\Lambda$ model in the Letter.Comment: Corrected typos, added addtional calculations regarding a truncated to l=0 interaction model, 4 pages, 3 figure

Petrography of a "cryptic" mixed magma system – the Mount Waldo granite, coastal Maine

The Mount Waldo granite (MWG), dated at 371 ± 2 Ma, is typical of the younger Devonian intrusions of the coastal Maine magmatic province. It is a coarse-grained, seriate to porphyritic, biotite ± hornblende, titanite-bearing granite with abundant intermediate to felsic magmatic enclaves and less abundant mafic schlieren. The MWG contains feldspars of various textures and composition, including abundant plagioclase-mantled K-feldspar (rapakivi texture), boxy and spongy cellular plagioclase, and plagioclase that show An spikes and/or central cores of higher Ca content. In addition, the magmatic enclaves also preserve textural evidence for mixing and hybridization. Specifically, abundant mafic clots, acicular apatite, inherited megacrysts of all the feldspar varieties common in the host granite, and titanite-plagioclase intergrowths are all observed. Although very little mafic material is observed in the MWG at its present level of erosion, abundant textural evidence suggests that mixing occurred at depth in this intrusion. The thermal, chemical, and physical gradients initiated by the injection of mafic material produced not only the array of mixing textures observed in the MWG but also the large-scale convection needed to distribute these features throughout the pluton including its highest levels. RÉSUMÉ Le granite du mont Waldo (GMW), situé à 371±2 Ma, est caractéristique des intrusions récentes du Dévonien de la province magmatique côtière du Maine. Il s'agit d'un granite titanitifère à gros grain, sérié à porphyrique de biotite ± hornblende comportant une abondance d'enclaves magmatiques intermédiaires à felsiques et une abondance moindre de schlierens mafiques. Le GMW renferme des feldspaths de textures et de compositions diverses, notamment une abondance de feldspath potassique recouvert de plagioclase (texture de rapakiwi), de plagioclase alvéolaire massif et spongieux, et de plagioclase présentant des pics d'An ou des noyaux centraux à teneur supérieure en Ca. De plus, les enclaves magmatiques préservent également une preuve texturale de mélange et d'hybridation. On peut, plus précisément observer la totalité de ces traits : une abondance de grumeaux mafiques, de l'apatite aciculaire, des mégacristaux provenant de tous les types de feldspaths courants dans le granite hôte et des enchevêtrements de titanite-plagioclase. Même si l'on observe très peu de matières mafiques dans le GMW à son niveau actuel d'érosion, d'abondants indices texturaux permettent de supposer que le mixage est survenu en profondeur dans cette intrusion. Les gradients thermiques, chimiques et physiques obtenus par l'injection de matières mafiques a non seulement produit l'éventail de textures de mélange observé dans le GMW, mais également la convection à grande échelle nécessaire à la distribution de ces caractéristiques dans l'ensemble du pluton ainsi qu'à ses niveaux les plus élevés. [Traduit par la rédaction

The hyperon-nucleon interaction: conventional versus effective field theory approach

Hyperon-nucleon interactions are presented that are derived either in the conventional meson-exchange picture or within leading order chiral effective field theory. The chiral potential consists of one-pseudoscalar-meson exchanges and non-derivative four-baryon contact terms. With regard to meson-exchange hyperon-nucleon models we focus on the new potential of the Juelich group, whose most salient feature is that the contributions in the scalar--isoscalar (\sigma) and vector--isovector (\rho) exchange channels are constrained by a microscopic model of correlated \pi\pi and KKbar exchange.Comment: 28 pages, 8 figures, submitted to Lecture Notes in Physic

Progressive transformation of a flux rope to an ICME

The solar wind conditions at one astronomical unit (AU) can be strongly disturbed by the interplanetary coronal mass ejections (ICMEs). A subset, called magnetic clouds (MCs), is formed by twisted flux ropes that transport an important amount of magnetic flux and helicity which is released in CMEs. At 1 AU from the Sun, the magnetic structure of MCs is generally modeled neglecting their expansion during the spacecraft crossing. However, in some cases, MCs present a significant expansion. We present here an analysis of the huge and significantly expanding MC observed by the Wind spacecraft during 9 and 10 November, 2004. After determining an approximated orientation for the flux rope using the minimum variance method, we precise the orientation of the cloud axis relating its front and rear magnetic discontinuities using a direct method. This method takes into account the conservation of the azimuthal magnetic flux between the in- and out-bound branches, and is valid for a finite impact parameter (i.e., not necessarily a small distance between the spacecraft trajectory and the cloud axis). Moreover, using the direct method, we find that the ICME is formed by a flux rope (MC) followed by an extended coherent magnetic region. These observations are interpreted considering the existence of a previous larger flux rope, which partially reconnected with its environment in the front. These findings imply that the ejected flux rope is progressively peeled by reconnection and transformed to the observed ICME (with a remnant flux rope in the front part).Comment: Solar Physics (in press

Carboniferous metamorphism on the north (upper) side of the Sebago Batholith

Guidebook for field trips in southwestern Maine: New England Intercollegiate Geological Conference, 78th annual meeting, Bates College, Lewiston, Maine, October 17, 18, and 19, 1986: Trip C-

Functionalisation of Ti6Al4V components fabricated using selective laser melting with a bioactive compound

Surface modification of an implant with a biomolecule is used to improve its biocompatibility and to reduce post-implant complications. In this study, a novel approach has been used to functionalise phosphonic acid monolayers with a drug. Ti6Al4V components fabricated using selective laser melting (SLM) were functionalised with Paracetamol (a pharmaceutically relevant biomolecule) using phosphonic acid based self-assembled monolayers (SAMs). The attachment, stability of the monolayers on the SLM fabricated surface and functionalisation of SAMs with Paracetamol were studied using X-ray photoelectron spectroscopy (XPS) and surface wettability measurements. The obtained results confirmed that SAMs were stable on the Ti6Al4V surface for over four weeks and then began to desorb from the surface. The reaction used to functionalise the phosphonic acid monolayers with Paracetamol was noted to be successful. Thus, the proposed method has the potential to immobilise drugs/proteins to SAM coated surfaces and improve their biocompatibility and reduce post-implant complications

First Measurement of Z/gamma* Production in Compton Scattering of Quasi-real Photons

We report the first observation of Z/gamma* production in Compton scattering of quasi-real photons. This is a subprocess of the reaction e+e- to e+e-Z/gamma*, where one of the final state electrons is undetected. Approximately 55 pb-1 of data collected in the year 1997 at an e+e- centre-of-mass energy of 183 GeV with the OPAL detector at LEP have been analysed. The Z/gamma* from Compton scattering has been detected in the hadronic decay channel. Within well defined kinematic bounds, we measure the product of cross-section and Z/gamma* branching ratio to hadrons to be (0.9+-0.3+-0.1) pb for events with a hadronic mass larger than 60 GeV, dominated by (e)eZ production. In the hadronic mass region between 5 GeV and 60 GeV, dominated by (e)egamma* production, this product is found to be (4.1+-1.6+-0.6) pb. Our results agree with the predictions of two Monte Carlo event generators, grc4f and PYTHIA.Comment: 18 pages, LaTeX, 5 eps figures included, submitted to Physics Letters

A Measurement of the Product Branching Ratio f(b->Lambda_b).BR(Lambda_b->Lambda X) in Z0 Decays

The product branching ratio, f(b->Lambda_b).BR(Lambda_b->Lambda X), where Lambda_b denotes any weakly-decaying b-baryon, has been measured using the OPAL detector at LEP. Lambda_b are selected by the presence of energetic Lambda particles in bottom events tagged by the presence of displaced secondary vertices. A fit to the momenta of the Lambda particles separates signal from B meson and fragmentation backgrounds. The measured product branching ratio is f(b->Lambda_b).BR(Lambda_b->Lambda X) = (2.67+-0.38(stat)+0.67-0.60(sys))% Combined with a previous OPAL measurement, one obtains f(b->Lambda_b).BR(Lambda_b->Lambda X) = (3.50+-0.32(stat)+-0.35(sys))%.Comment: 16 pages, LaTeX, 3 eps figs included, submitted to the European Physical Journal