Publications

One hundred years after the flu pandemic of 1918, the world faces an outbreak of a new severe acute respiratory syndrome, caused by a novel coronavirus. With a high transmissibility, the pandemic has spread worldwide, creating a scenario of devastation in many countries. By the middle of 2021, about 3% of the world population had been infected and more than 4 million people had died. Different from the H1N1 pandemic, which had a deadly wave and ceased, the new disease is maintained by successive waves, mainly produced by new virus variants and the small number of vaccinated people. In the present work, we create a version of the SIR model using the spatial localization of persons, their movements, and considering social isolation probabilities. We discuss the effects of virus variants, and the role of vaccination rate in the pandemic dynamics. We show that, unless a global vaccination is implemented, we will have continuous waves of infections.

In this work, we employ first-principles calculations to investigate the optical properties of boron nitride nanoribbons with reconstructed edges. We found that because of the presence of homopolar B-B and N-N bonds in the edges, such nanoribbons, unlike boron nitride nanotubes, absorb light and have non-null optical conductivity in the visible and infrared range. The stoichiometry and distribution of the homopolar bonds in the edges change the absorption, reflectance, refraction index, and optical conductivity of nanoribbons, which may allow the tuning of those properties. Regarding the absorption in the infrared and visible range, the nanoribbons with B excess are almost unaffected by the direction of light incidence. On the other hand, the direction of light incidence strongly affects the intensity of the absorption peaks of nanoribbons with N excess in the region. At ultraviolet and above non-cylindrical geometry of the ribbons with the homopolar bonds at the edges also lead to a dependence of the optical properties with the direction of light incidence.

We employed first-principles calculations to investigate the fluorination of silicon carbide nanosheets. We found that the Si atoms are the energetically favorable adsorption sites for F atoms in silicon carbide nanosheets in all studied cases. The strain caused by the fourfold coordinated Si atoms in the flat SiC nanosheet determines the relative position of the adsorbed F atoms: occupying nearest-neighbor Si sites if they bound sheet’s opposing sides or away from each other if they are on the same side of the sheet. The fluorinated nanosheets’ electronic and magnetic properties are weakly dependent on which side of the sheet the F atoms bind; however, they are strongly dependent on the relative distance between them. For F atoms adsorbed on nearest-neighbor Si sites, the system is a small gap p-type semiconductor with 1 μB per adsorbed atom. On the other hand, if F atoms do not occupy nearest-neighbor Si sites, the system is a metal with 1/2 μB per adsorbed atom. The adsorption of F atoms strongly affects the optical properties of SiC sheets inducing optical anisotropy regarding the direction of the incidence of light.

A Newtonian-like theory inspired by the Brans–Dicke gravitational Lagrangian has been recently proposed by us. For static configurations, the gravitational coupling acquires an intrinsic spatial dependence within the matter distribution. Therefore, the interior of astrophysical configurations may provide a testable environment for this approach as long as no screening mechanism is evoked. In this work, we focus on the stellar hydrostatic equilibrium structure in such a varying Newtonian gravitational coupling G scenario. A modified Lane–Emden equation is presented and its solutions for various values of the polytropic index are discussed. The role played by the theory parameter ω, the analogue of the Brans–Dicke parameter, in the physical properties of stars is discussed.

Hundred years after the flu pandemic of 1918, the world faces an outbreak of a new severe acute respiratory syndrome, caused by a novel coronavirus. With a high transmissibility, the pandemic spreads worldwide, creating a scenario of devastation in many countries. By the middle of 2021, about 3% of the world population has been infected and more than 4 million people have died. Different from the H1N1 pandemic, which had a deadly wave and cessed, the new disease is maintained by successive waves, mainly produced by new virus variants, and the small number of vaccinated people. In the present work, we create a version of the SIR model with spatial localization of persons, their movements, and taking into account social isolation probabilities. We discuss the effects of virus variants, and the role of vaccination rate in the pandemic dynamics. We show that, unless a global vaccination is implemented, we will have continuous waves of infections.HighlightsThe COVID-19 has infected more than 200 millions and has killed more than 4 million persons.WHO has not been successful in defining a global vaccination policy.Many epidemic scenarios arise when different countries apply different vaccination strategies.Present model can show some insights on how vaccination programs can be managed.Competing Interest StatementThe authors have declared no competing interest.Funding StatementThis research did not receive any specific grant from funding agencies in the commercial, or non-profit sectors. SPR acknowledges grant from Conselho Nacional de Desenvolvimento Cientifico e Tecnologico - CNPq, through proccess 306572/2019-2.Author DeclarationsI confirm all relevant ethical guidelines have been followed, and any necessary IRB and/or ethics committee approvals have been obtained.YesThe details of the IRB/oversight body that provided approval or exemption for the research described are given below:The manuscript is a modeling paper, there was no clinical trial of any kind.All necessary patient/participant consent has been obtained and the appropriate institutional forms have been archived.YesI understand that all clinical trials and any other prospective interventional studies must be registered with an ICMJE-approved registry, such as ClinicalTrials.gov. I confirm that any such study reported in the manuscript has been registered and the trial registration ID is provided (note: if posting a prospective study registered retrospectively, please provide a statement in the trial ID field explaining why the study was not registered in advance).YesI have followed all appropriate research reporting guidelines and uploaded the relevant EQUATOR Network research reporting checklist(s) and other pertinent material as supplementary files, if applicable.YesThe code of model is included in manuscript files.

In this work we apply first principles calculations to investigate the flat band phenomenology in twisted antimonene bilayer. We show that the relatively strong interlayer interactions which characterize this compound have profound effects in the emergence and properties of the flat bands. Specifically, when the moiré length becomes large enough to create well defined stacking patterns along the structure, out-of-plane displacements take place and are stabilized in the regions dominated by the AB stacking, leading to the emergence of flat bands. The interplay between structural and electronic properties allows for detection of flat bands in higher twist angles comparable to other two-dimensional materials. We also show that their energy position may be modulated by noncovalent functionalization with electron acceptor molecules.

Economic viability and eco-friendliness are important characteristics that make implants available to the population in a sustainable way. In this work, we evaluate the performance of a low-cost, widely available, and eco-friendly material (talc from soapstone) relative to reduced graphene oxide as reinforcement to brittle hydroxyapatite coatings. We employ a low-cost and straightforward technique, electrodeposition, to deposit the composite coatings on the titanium substrate. Corrosion, wear, and biocompatibility tests indicate that the reduced graphene oxide can be effectively replaced by talc without reducing the mechanical, anticorrosion, and biocompatible composite coatings properties. Our results indicate that talc from soapstone is a promising material for biomedical applications.