Correction: Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity.

Correction for 'Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity' by S. Pelloni et al., Phys. Chem. Chem. Phys., 2020, 22, 1299–1305, DOI: 10.1039/C9CP05563K

Solutions of the fully compressible semi-geostrophic system

The fully compressible semi-geostrophic system is widely used in the modelling of large-scale atmospheric flows. In this paper, we prove rigorously the existence of weak Lagrangian solutions of this system, formulated in the original physical coordinates. In addition, we provide an alternative proof of the earlier result on the existence of weak solutions of this system expressed in the so-called geostrophic, or dual, coordinates. The proofs are based on the optimal transport formulation of the problem and on recent general results concerning transport problems posed in the Wasserstein space of probability measures

Erratum to: Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy (Theor Chem Acc (2011) 129 (359-366) DOI 10.1007/s00214-010-0851-2)

Fil:Pagola, G.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina

Sphincter-sparing surgery after preoperative radiotherapy for low rectal cancers: feasibility, oncologic results and quality of life outcomes

The present study assesses the choice of surgical procedure, oncologic results and quality of life (QOL) outcomes in a retrospective cohort of 53 patients with low-lying rectal cancers (within 6 cm of the anal verge) treated surgically following preoperative radiotherapy (RT, median dose 45 Gy) with or without concomitant 5-fluorouracil. QOL was assessed in 23 patients by using two questionnaires developed by the QOL Study Group of the European Organization for Research and Treatment of Cancer: EORTC QLQ-C30 and EORTC QLQ-CR38. After a median interval of 29 days from completion of RT, abdominoperineal resection (APR) was performed in 29 patients (55%), low anterior resection in 23 patients (20 with coloanal anastomosis) and transrectal excision in one patient. The 3-year actuarial overall survival and locoregional control rates were 71.4% and 77.5% respectively, with no differences observed between patients operated by APR or restorative procedures. For all scales of EORTC QLQ-C30 and EORTC QLQ-CR38, no significant differences in median scores were observed between the two surgical groups. Although patients having had APR tended to report a lower body image score (P = 0.12) and more sexual dysfunction in male patients, all APR patients tended to report better physical function, future perspective and global QOL. In conclusion, sphincter-sparing surgery after preoperative RT seems to be feasible, in routine practice, in a significant proportion of low rectal cancers without compromising the oncologic results. However, prospective studies are mandatory to confirm this finding and to clarify the putative QOL advantages of sphincter-conserving approaches. © 2000 Cancer Research Campaig

The Zakharov-Shabat spectral problem on the semi-line: Hilbert formulation and applications

The inverse spectral transform for the Zakharov-Shabat equation on the semi-line is reconsidered as a Hilbert problem. The boundary data induce an essential singularity at large k to one of the basic solutions. Then solving the inverse problem means solving a Hilbert problem with particular prescribed behavior. It is demonstrated that the direct and inverse problems are solved in a consistent way as soon as the spectral transform vanishes with 1/k at infinity in the whole upper half plane (where it may possess single poles) and is continuous and bounded on the real k-axis. The method is applied to stimulated Raman scattering and sine-Gordon (light cone) for which it is demonstrated that time evolution conserves the properties of the spectral transform.Comment: LaTex file, 1 figure, submitted to J. Phys.

Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te

Calculations have been carried out for C4H4X2 cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C =∇× B, is rationalized via a second-rank anapole magnetizability tensor aαβ , defined as minus the second derivative of the second-order interaction energy with respect to the components Cα and Bβ. The average anapole magnetizability a equals −χ, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χα,βγ . It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole Aα, having the same magnitude, but opposite sign, for two enantiomorphs.Fil: Pagola, Gabriel Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnologica; ArgentinaFil: Pelloni, Stefano. Universidad de Modena y Reggio Emilia. Departamento de Química; ItaliaFil: Lazzeretti, Paolo. Universidad de Modena y Reggio Emilia. Departamento de Química; Italia; Itali

Validation of a combined CFD/FEM methodology for the evaluation of thermal load acting on aluminum alloy pistons through hardness measurements in internal combustion engines

This work presents the results of amultidisciplinary research project, carried outin close collaboration with Ducati MotorHolding S.p.A., for the development of anintegrated methodology to design enginecomponents in aluminum alloy under highthermal loads. The results refer to the study ofan AA2618 (Al-Cu-Mg) alloy piston for highperformance motorcycle engines. The pistonhas been selected as the pilot component forthe development and validation of anadvanced Fluid Dynamics (CFD) and FiniteElement (FE) simulation methodology for theprediction of the inner thermal diffusion. Thesubsequent validation has been achievedthrough both the mechanical andmicrostructural characterization of thecomponent. The methodology here presentedconsists of close interaction between fluiddynamics(CFD) simulations of the combustionprocess and Finite Element (FEM) simulations ofthe thermal diffusion inside the components.Combustion is the main engine heat sourceand is simulated by means of a threedimensionalCFD code for reactive flows (FIREv2008-AVL), with the use of advancedcombustion (ECFM) and wall interactionmodels. The temperature map on the surfacesis based on the results of the iteration with FEMsimulation of thermal diffusion. The FEM modelused for the diffusion analysis receives theresults of combustion analysis as input. Twodifferent methods have been tested for thetransfer of the CFD thermal load to the FEMmodels: a) imposition on the piston crown of aspatial distribution of heat flux averaged overthe mean engine cycle; b) imposition on thepiston crown of both heat flux coefficients and..

Nuclear data sensitivity and uncertainty assessment of sodium voiding reactivity coefficients of an ASTRID-like sodium fast reactor

The EU 7th Framework ESNII+ project was launched in 2013 with the strategic orientation of preparing ESNII for Horizon 2020. ESNII stands for the European Industrial Initiative on Nuclear Energy, created by the European Commission in 2010 to promote the development of a new generation of nuclear systems in order to provide a sustainable solution to cope with Europe’s growing energy needs while meeting the greenhouse gas emissions reduction target. The designs selected by the ESNII+ project are technological demonstrators of Generation-IV systems. The prototype for the sodium cooled fast reactor technology is ASTRID (standing for Advanced Sodium Technological Reactor for Industrial Demonstration), which detailed design phase is foreseen to be initiated in 2019. The ASTRID core has a peculiar design which was created in order to tackle the main neutronic challenge of sodium cooled fast reactors: the inherent overall positive reactivity feedback in case of sodium voiding occurring in the core. Indeed, the core is claimed by its designers to have an overall negative reactivity feedback in this scenario. This feature was demonstrated for an ASTRID-like core within the ESNII+ framework studies performed by nine European institutions. In order to shift the paradigm towards best-estimate plus uncertainties, the nuclear data sensitivity analysis and uncertainty propagation on reactivity coefficients has to be carried out. The goal of this work is to assess the impact of nuclear data uncertainties on sodium voiding reactivity feedback coefficients in order to get a more complete picture of the actual safety margins of the ASTRID low void-core design. The nuclear data sensitivity analysis is performed in parallel using SCALE TSUNAMI-3D and the newly developed GPT SERPENT 2 module. A comparison is carried out between the two methodologies. Uncertainty on the sodium reactivity feedbacks is then calculated using TSAR module of SCALE and the necessary safety margins conclusions are drawn