Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study

Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first principles molecular dynamics, we perform a systematic study of the non-equilibrium processes of radiation damage in graphite. Our study reveals a rich variety of defect structures (vacancies, interstitials, intimate interstitial-vacancy pairs, and in-plane topological defects) with formation energies of 5--15 eV. We clarify the mechanisms underlying their creation and find unexpected preferences for particular structures. Possibilities of controlled defect-assisted engineering of nanostructures are analyzed. In particular, we conclude that the selective creation of two distinct low-energy intimate Frenkel pair defects can be achieved by using a 90--110 keV electron beam irradiation.Comment: 5 pages, 4 figure

Magnetism in Graphene Induced by Single-Atom Defects

We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the itinerant magnetism due to the defect-induced extended states has been observed. Calculated magnetic moments are equal to 1 $\mu_B$ per hydrogen chemisorption defect and 1.12$-$1.53 $\mu_B$ per vacancy defect depending on the defect concentration. The coupling between the magnetic moments is either ferromagnetic or antiferromagnetic, depending on whether the defects correspond to the same or to different hexagonal sublattices of the graphene lattice, respectively. The relevance of itinerant magnetism in graphene to the high-$T_C$ magnetic ordering is discussed.Comment: 5 pages, 6 figure

Optical Properties of Crystals with Spatial Dispersion: Josephson Plasma Resonance in Layered Superconductors

We derive the transmission coefficient, $T(\omega)$, for grazing incidence of crystals with spatial dispersion accounting for the excitation of multiple modes with different wave vectors ${\bf k}$ for a given frequency $\omega$. The generalization of the Fresnel formulas contains the refraction indices of these modes as determined by the dielectric function $\epsilon(\omega,{\bf k})$. Near frequencies $\omega_e$, where the group velocity vanishes, $T(\omega)$ depends also on an additional parameter determined by the crystal microstructure. The transmission $T$ is significantly suppressed, if one of the excited modes is decaying into the crystal. We derive these features microscopically for the Josephson plasma resonance in layered superconductors.Comment: 4 pages, 2 figures, epl.cls style file, minor change

Produção de celulases em farelos de trigo e arroz e grão de trigo por Lentinula edodes.

Editores técnicos: Marcílio José Thomazini, Elenice Fritzsons, Patrícia Raquel Silva, Guilherme Schnell e Schuhli, Denise Jeton Cardoso, Luziane Franciscon. EVINCI. Resumos

Caracterização da composição química e compostos fenólicos do pinhão.

Editores técnicos: Marcílio José Thomazini, Elenice Fritzsons, Patrícia Raquel Silva, Guilherme Schnell e Schuhli, Denise Jeton Cardoso, Luziane Franciscon. EVINCI. Resumos

Avaliação da composição centesimal de seis espécies de frutas do sul do Brasil.

EVINCI. Resumo