Fermions in the pseudoparticle approach

The pseudoparticle approach is a numerical technique to compute path integrals without discretizing spacetime. The basic idea is to integrate over those field configurations, which can be represented by a sum of a fixed number of localized building blocks (pseudoparticles). In a couple of previous papers we have successfully applied the pseudoparticle approach to pure SU(2) Yang-Mills theory. In this work we discuss how to incorporate fermionic fields in the pseudoparticle approach. To test our method, we compute the phase diagram of the 1+1-dimensional Gross-Neveu model in the large-N limit.Comment: 11 pages, 10 figure

Design, Synthesis and Biological Evaluation of New 5,5-Diarylhydantoin Derivatives as Selective Cyclooxygenase-2 Inhibitors

A new group of 5,5-diarylhydantoin derivatives bearing a methylsulfonyl COX-2 pharmacophore at the para position of the C-5 phenyl ring were designed and synthesized as selective COX-2 inhibitors. In vitro COX-1/COX-2 inhibition structure-activity relationships identified 5-[4-(methylsulfonyl)phenyl]-5-phenyl-hydantoin (4) as a highly potent and selective COX-2 inhibitor (COX-2 IC50 = 0.077 μM; selectivity index > 1298). It was more selective than the reference drug celecoxib (COX-2 IC50 = 0.060 μM; selectivity index = 405). A molecular modeling study where 4 was docked in the binding site of COX-2 indicated that the p-MeSO2 COX-2 pharmacophore group on the C-5 phenyl ring is oriented in the vicinity of the COX-2 secondary pocket. The results of this study showed that the type of substituent on the N-3 hydantoin ring substituent is important for COX-2 inhibitory activity

L-systems in Geometric Modeling

We show that parametric context-sensitive L-systems with affine geometry interpretation provide a succinct description of some of the most fundamental algorithms of geometric modeling of curves. Examples include the Lane-Riesenfeld algorithm for generating B-splines, the de Casteljau algorithm for generating Bezier curves, and their extensions to rational curves. Our results generalize the previously reported geometric-modeling applications of L-systems, which were limited to subdivision curves.Comment: In Proceedings DCFS 2010, arXiv:1008.127

A survey of partial differential equations in geometric design

YesComputer aided geometric design is an area where the improvement of surface generation techniques is an everlasting demand since faster and more accurate geometric models are required. Traditional methods for generating surfaces were initially mainly based upon interpolation algorithms. Recently, partial differential equations (PDE) were introduced as a valuable tool for geometric modelling since they offer a number of features from which these areas can benefit. This work summarises the uses given to PDE surfaces as a surface generation technique togethe

Continuum viscoplastic simulation of a granular column collapse on large slopes: μ(I) rheology and lateral wall effects

We simulate here dry granular flows resulting from the collapse of granular columns on an inclined channel (up to 22°) and compare precisely the results with laboratory experiments. Incompressibility is assumed despite the dilatancy observed in the experiments (up to 10%). The 2-D model is based on the so-called μ(I) rheology that induces a Drucker-Prager yield stress and a variable viscosity. A nonlinear Coulomb friction term, representing the friction on the lateral walls of the channel, is added to the model. We demonstrate that this term is crucial to accurately reproduce granular collapses on slopes ≳10°, whereas it remains of little effect on the horizontal slope. Quantitative comparison between the experimental and numerical changes with time of the thickness profiles and front velocity makes it possible to strongly constrain the rheology. In particular, we show that the use of a variable or a constant viscosity does not change significantly the results provided that these viscosities are of the same order. However, only a fine tuning of the constant viscosity (η=1 Pa s) makes it possible to predict the slow propagation phase observed experimentally at large slopes. Finally, we observed that small-scale instabilities develop when refining the mesh (also called ill-posed behavior, characterized in the work of Barker et al. [“Well-posed and ill-posed behaviour of the μ(I)-rheology for granular flow,” J. Fluid Mech. 779, 794–818 (2015)] and in the present work) associated with the mechanical model. The velocity field becomes stratified and the bands of high velocity gradient appear. These model instabilities are not avoided by using variable viscosity models such as the μ(I) rheology. However we show that the velocity range, the static-flowing transition, and the thickness profiles are almost not affected by them

Comparing faceted and smoothed tool surface descriptions in sheet metal forming simulation

This study deals with different tool surface description methods used in the finite element analysis of sheet metal forming processes. The description of arbitrarily-shaped tool surfaces using the traditional linear finite elements is compared with two distinct smooth surface description approaches: (i) Bézier patches obtained from the ComputerAided Design model and (ii) smoothing the finite element mesh using Nagata patches. The contact search algorithm is presented for each approach, exploiting its special features in order to ensure an accurate and efficient contact detection. The influence of the tool modelling accuracy on the numerical results is analysed using two sheet forming examples, the unconstrained cylindrical bending and the reverse deep drawing of a cylindrical cup. Smoothing the contact surfaces with Nagata patches allows creating more accurate tool models, both in terms of shape and normal vectors, when compared with the conventional linear finite element mesh. The computational efficiency is evaluated in this study through the total number of increments and the required CPU time. The mesh refinement in the faceted description approach is not effective in terms of computational efficiency due to large discontinuities in the normal vector field across facets, even when adopting fine meshes.The authors gratefully acknowledge the financial support of the Portuguese Foundation for Science and Technology (FCT) via the projects PTDC/EME-TME/118420/2010 and PEst-C/EME/ UI0285/2013 and by FEDER funds through the program COMPETE – Programa Operacional Factores de Competitividade, under the project CENTRO-07-0224-FEDER-002001 (MT4MOBI). The first author is also grateful to the FCT for the PhD grant SFRH/BD/69140/2010.info:eu-repo/semantics/publishedVersio