Evolution of structure of SiO2 nanoparticles upon cooling from the melt

Evolution of structure of spherical SiO2 nanoparticles upon cooling from the melt has been investigated via molecular-dynamics (MD) simulations under non-periodic boundary conditions (NPBC). We use the pair interatomic potentials which have weak Coulomb interaction and Morse type short-range interaction. The change in structure of SiO2 nanoparticles upon cooling process has been studied through the partial radial distribution functions (PRDFs), coordination number and bond-angle distributions at different temperatures. The core and surface structures of nanoparticles have been studied in details. Our results show significant temperature dependence of structure of nanoparticles. Moreover, temperature dependence of concentration of structural defects in nanoparticles upon cooling from the melt toward glassy state has been found and discussed.Comment: 12 pages, 6 figure

Charm Quark Mass from Inclusive Semileptonic B Decays

The MSbar charm quark mass is determined to be m_c(m_c)=1224+-17+-54 MeV from a global fit to inclusive B meson decay data, where the first error is experimental, and includes the uncertainty in alpha_s, and the second is an estimate of theoretical uncertainties in the computation. We discuss the implications of the pole mass renormalon in the determination of m_c.Comment: 7 pages, 2 tables; revtex4. References added, minor changes; version to appear in PL

Phase Space Matching and Finite Lifetime Effects for Top-Pair Production Close to Threshold

The top-pair $t\bar t$ production cross section close to threshold in $e^+e^-$ collisions is strongly affected by the small lifetime of the top quark. Since the cross section is defined through final states containing the top decay products, a consistent definition of the cross section depends on prescriptions how these final states are accounted for the cross section. Experimentally, these prescriptions are implemented for example through cuts on kinematic quantities such as the reconstructed top quark invariant masses. As long as these cuts do not reject final states that can arise from the decay of a top and an anti-top quark with a small off-shellness compatible with the nonrelativistic power-counting, they can be implemented through imaginary phase space matching conditions in NRQCD. The prescription-dependent cross section can then be determined from the optical theorem using the $e^+e^-$ forward scattering amplitude. We compute the phase space matching conditions associated to cuts on the top and anti-top invariant masses at next-to-next-to-leading logarithmic (NNLL) order and partially at next-to-next-to-next-to-leading logarithmic (N${}^3$LL) order in the nonrelativistic expansion and, together with finite lifetime and electroweak effects known from previous work, analyze their numerical impact on the $t\bar t$ cross section. We show that the phase space matching contributions are essential to make reliable NRQCD predictions, particularly for energies below the peak region, where the cross section is small. We find that irreducible background contributions associated to final states that do not come from top decays are strongly suppressed and can be neglected for the theoretical predictions.Comment: 62 pages, 21 figure

Electroweak Absorptive Parts in NRQCD Matching Conditions

Electroweak corrections associated with the instability of the top quark to the next-to-next-to-leading logarithmic (NNLL) total top pair threshold cross section in e+e- annihilation are determined. Our method is based on absorptive parts in electroweak matching conditions of the NRQCD operators and the optical theorem. The corrections lead to ultraviolet phase space divergences that have to be renormalized and lead to NLL mixing effects. Numerically, the corrections can amount to several percent and are comparable to the known NNLL QCD corrections.Comment: 17 pages, revtex4, 4 postscript figures included; minor changes in text and references, title modified in printed versio

Three-Loop Anomalous Dimension of the Heavy Quark Pair Production Current in Non-Relativistic QCD

The three-loop non-mixing contributions to the anomalous dimension of the leading order quark pair production current in non-relativistic QCD are computed. It is demonstrated that the renormalization procedure can only be carried out consistently if the dynamics of both soft and the ultrasoft degrees of freedom is present for all scales below the heavy quark mass, and if the soft and ultrasoft renormalization scales are always correlated.Comment: 19 pages, revtex, 5 postscript figures include

An isogeometric analysis for elliptic homogenization problems

A novel and efficient approach which is based on the framework of isogeometric analysis for elliptic homogenization problems is proposed. These problems possess highly oscillating coefficients leading to extremely high computational expenses while using traditional finite element methods. The isogeometric analysis heterogeneous multiscale method (IGA-HMM) investigated in this paper is regarded as an alternative approach to the standard Finite Element Heterogeneous Multiscale Method (FE-HMM) which is currently an effective framework to solve these problems. The method utilizes non-uniform rational B-splines (NURBS) in both macro and micro levels instead of standard Lagrange basis. Beside the ability to describe exactly the geometry, it tremendously facilitates high-order macroscopic/microscopic discretizations thanks to the flexibility of refinement and degree elevation with an arbitrary continuity level provided by NURBS basis functions. A priori error estimates of the discretization error coming from macro and micro meshes and optimal micro refinement strategies for macro/micro NURBS basis functions of arbitrary orders are derived. Numerical results show the excellent performance of the proposed method

B decays in the upsilon expansion

Theoretical predictions for B decay rates are rewritten in terms of the Upsilon(1S) meson mass instead of the b quark mass, using a modified perturbation expansion. The theoretical consistency of this expansion is shown both at low and high orders. Our method improves the behavior of the perturbation series for semileptonic and nonleptonic inclusive decay modes, as well as for exclusive decay form factors. The results are applied to the determination of the semileptonic B branching ratio, charm counting, the ratio of B -> X tau nu and B -> X e nu decay rates, and form factor ratios in B -> D* e nu decay. We also comment on why it is not possible to separate perturbative and nonperturbative effects in QCD.Comment: 21 page

First-Order Transition in XY Fully Frustrated Simple Cubic Lattice

We study the nature of the phase transition in the fully frustrated simple cubic lattice with the XY spin model. This system is the Villain's model generalized in three dimensions. The ground state is very particular with a 12-fold degeneracy. Previous studies have shown unusual critical properties. With the powerful Wang-Landau flat-histogram Monte Carlo method, we carry out in this work intensive simulations with very large lattice sizes. We show that the phase transition is clearly of first order, putting an end to the uncertainty which has lasted for more than twenty years

Phase Transition in Heisenberg Fully Frustrated Simple Cubic Lattice

The phase transition in frustrated spin systems is a fascinated subject in statistical physics. We show the result obtained by the Wang-Landau flat histogram Monte Carlo simulation on the phase transition in the fully frustrated simple cubic lattice with the Heisenberg spin model. The degeneracy of the ground state of this system is infinite with two continuous parameters. We find a clear first-order transition in contradiction with previous studies which have shown a second-order transition with unusual critical properties. The robustness of our calculations allows us to conclude this issue putting an end to the 20-year long uncertainty.Comment: submitted for publicatio