Release of Cyanopyridine from a Ruthenium Complex Adsorbed on Gold: Surface-Enhanced Raman Scattering, Electrochemistry, and Density Functional Theory Analyses

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Non-renormalization conditions for four-gluon scattering in supersymmetric string and field theory

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Accurate evaluation of hadronic uncertainties in spin-independent WIMP-nucleon scattering: Disentangling two- and three-flavor effects

We show how to avoid unnecessary and uncontrolled assumptions usually made in the literature about soft SU(3) flavor symmetry breaking in determining the two-flavor nucleon matrix elements relevant for direct detection of weakly interacting massive particles (WIMPs). Based on SU(2) chiral perturbation theory, we provide expressions for the proton and neutron scalar couplings fp,nu and fp,nd with the pion-nucleon σ term as the only free parameter, which should be used in the analysis of direct detection experiments. This approach for the first time allows for an accurate assessment of hadronic uncertainties in spin-independent WIMP-nucleon scattering and for a reliable calculation of isospin-violating effects. We find that the traditional determinations of Vfpu−fnu and fpd−fnd are off by a factor of 2.

Quantum theory of scattering

Includes bibliography.

Plane-wave scattering-matrix theory of antennas and antenna-antenna interactions /

Mode of access: Internet.

Developments in the Theory of X-ray Absorption and Compton Scattering.

Thesis (Ph.D.)--University of Washington, 2016-06

Neutron-mapping polymer flow: Scattering, flow visualization, and molecular theory

Flows of complex fluids need to be understood at both macroscopic and molecular scales, because it is the macroscopic response that controls the fluid behavior, but the molecular scale that ultimately gives rise to rheological and solid-state properties. Here the flow field of an entangled polymer melt through an extended contraction, typical of many polymer processes, is imaged optically and by small-angle neutron scattering. The dual-probe technique samples both the macroscopic stress field in the flow and the microscopic configuration of the polymer molecules at selected points. The results are compared with a recent tube model molecular theory of entangled melt flow that is able to calculate both the stress and the single-chain structure factor from first principles. The combined action of the three fundamental entangled processes of reptation, contour length fluctuation, and convective constraint release is essential to account quantitatively for the rich rheological behavior. The multiscale approach unearths a new feature: Orientation at the length scale of the entire chain decays considerably more slowly than at the smaller entanglement length.

Spin and spatial dynamics in electron-impact scattering off S-wave He using R-matrix with Time-Dependence theory

R-matrix with time-dependence theory is applied to electron-impact ionisation processes for He in the S-wave model. Cross sections for electron-impact excitation, ionisation and ionisation with excitation for impact energies between 25 and 225 eV are in excellent agreement with benchmark cross sections. Ultra-fast dynamics induced by a scattering event is observed through time-dependent signatures associated with autoionisation from doubly excited states. Further insight into dynamics can be obtained through examination of the spin components of the time-dependent wavefunction.

Quark model with chiral-symmetry breaking and confinement in the Covariant Spectator Theory

We propose a model for the quark-antiquark interaction in Minkowski space using the Covariant Spectator Theory. We show that with an equal-weighted scalar-pseudoscalar structure for the confining part of our interaction kernel the axial-vector Ward-Takahashi identity is preserved and our model complies with the Adler-zero constraint for π-π-scattering imposed by chiral symmetry.

An introduction to scalar-tensor gravity: theory and experiment in the Brans-Dicke model

Le teorie della gravità scalare-tensore sono una classe di teorie alternative alla rel- atività generale in cui l’interazione gravitazionale è descritta sia dalla metrica, sia da un campo scalare. Ne costituisce un esempio caratteristico la teoria di Brans-Dicke, in- trodotta come estensione della relatività generale in modo da renderla conforme con il principio di Mach. Il presente lavoro di tesi è volto a presentare un’analisi di questa teoria nei suoi aspetti principali, studiandone i fondamenti teorici e il modello cosmologico derivante, sottolineandone inoltre i limiti e le criticità; in seguito vengono esposti i risultati degli esperimenti fino ad ora svolti per verificare fondamenti e previsioni del modello.

Rational algorithms for the decomposition of Feynman integrals via intersection theory

The decomposition of Feynman integrals into a basis of independent master integrals is an essential ingredient of high-precision theoretical predictions, that often represents a major bottleneck when processes with a high number of loops and legs are involved. In this thesis we present a new algorithm for the decomposition of Feynman integrals into master integrals with the formalism of intersection theory. Intersection theory is a novel approach that allows to decompose Feynman integrals into master integrals via projections, based on a scalar product between Feynman integrals called intersection number. We propose a new purely rational algorithm for the calculation of intersection numbers of differential $n-$forms that avoids the presence of algebraic extensions. We show how expansions around non-rational poles, which are a bottleneck of existing algorithms for intersection numbers, can be avoided by performing an expansion in series around a rational polynomial irreducible over $\mathbb{Q}$, that we refer to as $p(z)-$adic expansion. The algorithm we developed has been implemented and tested on several diagrams, both at one and two loops.

Density functional theory study of Fe(3)Ga

First-principles scalar relativistic calculations in supercells of 16 atoms are used to represent disordered B2 ordering of Fe(3)Ga in order to observe the effect of Ga-Ga pairs on the electronic structure of this alloy. From a comparison with pure bcc Fe it is observed that the energy position and occupation of e(g) and t(2g) states are largely affected by the Ga-Ga pairs and strengthened intraplane interactions takes place. The results show that a larger hybridization of the conduction band is in the source of the magnetostriction enhancement experimentally observed in Galfenol. (C) 2011 American Institute of Physics. [doi:10.1063/1.3525609]

Structure of disordered gold-polymer thin films using small angle x-ray scattering

We have investigated the structure of disordered gold-polymer thin films using small angle x-ray scattering and compared the results with the predictions of a theoretical model based on two approaches-a structure form factor approach and the generalized Porod law. The films are formed of polymer-embedded gold nanoclusters and were fabricated by very low energy gold ion implantation into polymethylmethacrylate (PMMA). The composite films span (with dose variation) the transition from electrically insulating to electrically conducting regimes, a range of interest fundamentally and technologically. We find excellent agreement with theory and show that the PMMA-Au films have monodispersive or polydispersive characteristics depending on the implanted ion dose. (C) 2010 American Institute of Physics. [doi:10.1063/1.3493241]

Quantum statistical correlations in thermal field theories: Boundary effective theory

We show that the one-loop effective action at finite temperature for a scalar field with quartic interaction has the same renormalized expression as at zero temperature if written in terms of a certain classical field phi(c), and if we trade free propagators at zero temperature for their finite-temperature counterparts. The result follows if we write the partition function as an integral over field eigenstates (boundary fields) of the density matrix element in the functional Schrodinger field representation, and perform a semiclassical expansion in two steps: first, we integrate around the saddle point for fixed boundary fields, which is the classical field phi(c), a functional of the boundary fields; then, we perform a saddle-point integration over the boundary fields, whose correlations characterize the thermal properties of the system. This procedure provides a dimensionally reduced effective theory for the thermal system. We calculate the two-point correlation as an example.