PRESENTER Dr. Douglas S. Galvao INSTITUTE Applied Physics Department State University of Campinas, S?o Paulo, Brazil

?????ABSTRACT: The sp, sp2, sp3 carbon hybridizations allows an almost infinite number of different structures with tunable mechanical and electronic properties. These structures can exhibit different topologies with different electronic dimensions (0-fullerenes, 1-nanotubes, 2-graphene, 3-diamond). These topologies can be exploited to create a large class of different materials, such as buckypapers [1], carbon nanotube-based artificial muscles [2,3], foams [4], auxetic crystals [5],etc. These materials present extremely complex morphologies, which results in a difficult challenge to realistically model their mechanical and structural properties. In this seminar we will present and discuss multi-scale (from fully atomistic to macroscale) approaches to model these materials, including the use artificial intelligence methods (such as the bioinspired ANT algorithms). Of particular interest are the new molecular dynamics simulations techniques based on reactive potentials that allows to handle multi-million atom systems. These techniques can be also used for non-carbon materials, such as metals [6] and chalcogenides [7].

[1] L. J. Hall, V. R. Coluci, D. S. Galvao, M. E. Kozlov, M. Zhang, S. O.Dantas, and R. H. Baughman, Science v320, 5875 (2008).
[2] M. D. Lima et al., Science v338, 6109 (2012).
[3] Z.F. Liu et al., Science v349, 400 (2015)
[4] S. Vinod et al., Nature Commun. v5, 4541 (2014).
[5] R. H. Baughman and D. S. Galvao, Nature v375, 735 (1993).
[6] J. Bettini, F. Sato, P. Z. Coura, S. O. Dantas, D. S. Galvao, and D. Ugarte, Nature Nanotech. v1, 182 (2006).
?[7] S Lei et al., Nature Nanotech. v11, 465 (2016).

BIOGRAPHY:  Douglas S. Galvao is a full professor at the Applied Physics Department of the State University of Campinas, São Paulo, Brazil. He is also member of the Brazilian Academy of S?ciences and Researcher of the Brazilian National Research Council (CNPq). He got his PhD in 1989 from the State University of Campinas. He was a pos-doc at Princeton University and Bell Communications Research. He is author of ~ 250 papers (~6700 citations, H=45). He received many academic prizes, including Young Brazilian Scientist and the Zeferino Vaz Prize for Academic excellence. He is associate editor of the Computational Materials Science.