Molecular dynamics study of melting of a bcc metal-vanadium II : thermodynamic melting

We present molecular dynamics simulations of the thermodynamic melting transition of a bcc metal, vanadium using the Finnis-Sinclair potential. We studied the structural, transport and energetic properties of slabs made of 27 atomic layers with a free surface. We investigated premelting phenomena at the low-index surfaces of vanadium; V(111), V(001), and V(011), finding that as the temperature increases, the V(111) surface disorders first, then the V(100) surface, while the V(110) surface remains stable up to the melting temperature. Also, as the temperature increases, the disorder spreads from the surface layer into the bulk, establishing a thin quasiliquid film in the surface region. We conclude that the hierarchy of premelting phenomena is inversely proportional to the surface atomic density, being most pronounced for the V(111) surface which has the lowest surface density

Net Charge on a Noble Gas Atom Adsorbed on a Metallic Surface

Adsorbed noble gas atoms donate (on the average) a fraction of an electronic charge to the substrate metal. The effect has been experimentally observed as an adsorptive change in the electronic work function. The connection between the effective net atomic charge and the binding energy of the atom to the metal is theoretically explored.Comment: ReVvTeX 3.1 format, Two Figures, Three Table

Topological Defects and Non-homogeneous Melting of Large 2D Coulomb Clusters

The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles are confined by a harmonic potential. For a large number of particles in the cluster (N>150) the configuration is determined by two competing effects, namely in the center a hexagonal lattice is formed, which is the groundstate for an infinite 2D system, and the confinement which imposes its circular symmetry on the outer edge. As a result a hexagonal Wigner lattice is formed in the central area while at the border of the cluster the particles are arranged in rings. In the transition region defects appear as dislocations and disclinations at the six corners of the hexagonal-shaped inner domain. Many different arrangements and type of defects are possible as metastable configurations with a slightly higher energy. The particles motion is found to be strongly related to the topological structure. Our results clearly show that the melting of the clusters starts near the geometry induced defects, and that three different melting temperatures can be defined corresponding to the melting of different regions in the cluster.Comment: 7 pages, 11 figures, submitted to Phys. Rev.

Boson gas in a periodic array of tubes

We report the thermodynamic properties of an ideal boson gas confined in an infinite periodic array of channels modeled by two, mutually perpendicular, Kronig-Penney delta-potentials. The particle's motion is hindered in the x-y directions, allowing tunneling of particles through the walls, while no confinement along the z direction is considered. It is shown that there exists a finite Bose- Einstein condensation (BEC) critical temperature Tc that decreases monotonically from the 3D ideal boson gas (IBG) value $T_{0}$ as the strength of confinement $P_{0}$ is increased while keeping the channel's cross section, $a_{x}a_{y}$ constant. In contrast, Tc is a non-monotonic function of the cross-section area for fixed $P_{0}$. In addition to the BEC cusp, the specific heat exhibits a set of maxima and minima. The minimum located at the highest temperature is a clear signal of the confinement effect which occurs when the boson wavelength is twice the cross-section side size. This confinement is amplified when the wall strength is increased until a dimensional crossover from 3D to 1D is produced. Some of these features in the specific heat obtained from this simple model can be related, qualitatively, to at least two different experimental situations: $^4$He adsorbed within the interstitial channels of a bundle of carbon nanotubes and superconductor-multistrand-wires Nb$_{3}$Sn.Comment: 9 pages, 10 figures, submitte

PHB-PEO electrospun fiber membranes containing chlorhexidine for drug delivery applications

Fiber meshes of poly(hydroxybutyrate) (PHB) and poly(hydroxybutyrate)/poly(ethylene oxide) (PHB/PEO) with different concentrations of chlorhexidine (CHX) were prepared by electrospinning for assessment as a polymer based drug delivery system. The electrospun fibers were characterized at morphological, molecular and mechanical levels. The bactericidal potential of PHB and PHB/PEO electrospun fibers, with and without CHX, was investigated against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) by disk diffusion susceptibility tests. Electrospun fibers containing CHX exhibited bactericidal activity. PHB/PEO-1%CHX displayed higher CHX release levels and equivalent antibacterial activity when compared to PHB/PEO with 5 and 10 wt% CHX. Bactericidal performance of samples with 1 wt% CHX was assessed by Colony Forming Units (CFU), where reductions of 100% and 99.69% against E. coli and S. aureus were achieved, respectively.This work was supported by FEDER through the COMPETE Program and by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Project PEST-C/FIS/UI607/2011 and PEST-C/QUI/UIO686/2011. The authors also thank funding from Matepro - Optimizing Materials and Processes", ref. NORTE-07-0124-FEDER-000037", co-funded by the "Programa Operacional Regional do Norte" (ON.2 - O Novo Norte), under the "Quadro de Referencia Estrategico Nacional" (QREN), through the "Fundo Europeu de Desenvolvimento Regional" (FEDER). D.M.C, JP and VS thanks the FCT for the, SFRH/BD/82411/2011, SFRH/BD/64901/2009 and SFRH/BPD/63148/2009 grants respectively. The authors also thank support from the COST Action MP1003, 2010 'European Scientific Network for Artificial Muscles' and to the COST Action MP1206 'Electrospun Nano-fibres for Bio inspired Composite Materials and Innovative Industrial Applications'. The authors also thank prof. Jose Luis Gomez Ribelles from the Unversidad Politecnica de Valencia, Spain, for interesting discussions on these issues

Partonic flow and ϕ\phi-meson production in Au+Au collisions at sNN\sqrt{s_{NN}} = 200 GeV

We present first measurements of the $\phi$-meson elliptic flow ($v_{2}(p_{T})$) and high statistics $p_{T}$ distributions for different centralities from $\sqrt{s_{NN}}$ = 200 GeV Au+Au collisions at RHIC. In minimum bias collisions the $v_{2}$ of the $\phi$ meson is consistent with the trend observed for mesons. The ratio of the yields of the $\Omega$ to those of the $\phi$ as a function of transverse momentum is consistent with a model based on the recombination of thermal $s$ quarks up to $p_{T}\sim 4$ GeV/$c$, but disagrees at higher momenta. The nuclear modification factor ($R_{CP}$) of $\phi$ follows the trend observed in the $K^{0}_{S}$ mesons rather than in $\Lambda$ baryons, supporting baryon-meson scaling. Since $\phi$-mesons are made via coalescence of seemingly thermalized $s$ quarks in central Au+Au collisions, the observations imply hot and dense matter with partonic collectivity has been formed at RHIC.Comment: 6 pages, 4 figures, submit to PR

Measurement of Transverse Single-Spin Asymmetries for Di-Jet Production in Proton-Proton Collisions at s=200\sqrt{s} = 200 GeV

We report the first measurement of the opening angle distribution between pairs of jets produced in high-energy collisions of transversely polarized protons. The measurement probes (Sivers) correlations between the transverse spin orientation of a proton and the transverse momentum directions of its partons. With both beams polarized, the wide pseudorapidity ($-1 \leq \eta \leq +2$) coverage for jets permits separation of Sivers functions for the valence and sea regions. The resulting asymmetries are all consistent with zero and considerably smaller than Sivers effects observed in semi-inclusive deep inelastic scattering (SIDIS). We discuss theoretical attempts to reconcile the new results with the sizable transverse spin effects seen in SIDIS and forward hadron production in pp collisions.Comment: 6 pages total, 1 Latex file, 3 PS files with figure

Longitudinal double-spin asymmetry and cross section for inclusive neutral pion production at midrapidity in polarized proton collisions at sqrt(s) = 200 GeV

We report a measurement of the longitudinal double-spin asymmetry A_LL and the differential cross section for inclusive Pi0 production at midrapidity in polarized proton collisions at sqrt(s) = 200 GeV. The cross section was measured over a transverse momentum range of 1 < p_T < 17 GeV/c and found to be in good agreement with a next-to-leading order perturbative QCD calculation. The longitudinal double-spin asymmetry was measured in the range of 3.7 < p_T < 11 GeV/c and excludes a maximal positive gluon polarization in the proton. The mean transverse momentum fraction of Pi0's in their parent jets was found to be around 0.7 for electromagnetically triggered events.Comment: 6 pages, 3 figures, submitted to Phys. Rev. D (RC

Measurement of the parity-violating longitudinal single-spin asymmetry for W±W^{\pm} boson production in polarized proton-proton collisions at s=500\sqrt{s} = 500 GeV

We report the first measurement of the parity violating single-spin asymmetries for midrapidity decay positrons and electrons from $W^{+}$ and $W^{-}$ boson production in longitudinally polarized proton-proton collisions at $\sqrt{s}=500$GeV by the STAR experiment at RHIC. The measured asymmetries, $A^{W^+}_{L}=-0.27\pm 0.10\;({\rm stat.})\pm 0.02\;({\rm syst.}) \pm 0.03\;({\rm norm.})$ and $A^{W^-}_{L}=0.14\pm 0.19\;({\rm stat.})\pm 0.02 \;({\rm syst.})\pm 0.01\;({\rm norm.})$, are consistent with theory predictions, which are large and of opposite sign. These predictions are based on polarized quark and antiquark distribution functions constrained by polarized DIS measurements.Comment: 6 pages, 4 figures, submitted to Physics Review Letter

High pTp_{T} non-photonic electron production in pp+pp collisions at s\sqrt{s} = 200 GeV

We present the measurement of non-photonic electron production at high transverse momentum ($p_T >$ 2.5 GeV/$c$) in $p$ + $p$ collisions at $\sqrt{s}$ = 200 GeV using data recorded during 2005 and 2008 by the STAR experiment at the Relativistic Heavy Ion Collider (RHIC). The measured cross-sections from the two runs are consistent with each other despite a large difference in photonic background levels due to different detector configurations. We compare the measured non-photonic electron cross-sections with previously published RHIC data and pQCD calculations. Using the relative contributions of B and D mesons to non-photonic electrons, we determine the integrated cross sections of electrons ($\frac{e^++e^-}{2}$) at 3 GeV/$c < p_T <~$10 GeV/$c$ from bottom and charm meson decays to be ${d\sigma_{(B\to e)+(B\to D \to e)} \over dy_e}|_{y_e=0}$ = 4.0$\pm0.5$({\rm stat.})$\pm1.1$({\rm syst.}) nb and ${d\sigma_{D\to e} \over dy_e}|_{y_e=0}$ = 6.2$\pm0.7$({\rm stat.})$\pm1.5$({\rm syst.}) nb, respectively.Comment: 17 pages, 17 figure