Boris Yakobson, Rice University

Boris I. Yakobson is an expert in theory and computational modeling of materials nanostructures, of their synthesis, mechanics, defects and relaxation, transport and electronics. Presently, Karl F. Hasselmann Chair in Engineering, professor of Materials Science and Nano-Engineering, and professor of Chemistry, Rice University, Houston, Texas. PhD 1982 in Physics and Applied Mathematics, from Russian Academy of Sciences. 1982-1989, Head of Theoretical Chemistry lab at the Institute of Solid Materials of the Russian Academy. 1990-1999, on the faculty of the Department of Physics, North Carolina State University. His research, sponsored over the years by the National Science Foundation, Department of Energy, NASA, Department of Defense, Army Research Office, Air Force Research Laboratory and AFOSR, Office of Naval Research, as well as private industry and foundations, resulted in over 250 publications and seven patents. Received Department of Energy Hydrogen Program Award, Nano 50 Innovator Award from Nanotech Briefs (Boston), Royal Society (London) Professorship Award, Department of Energy R & D Award, NASA Faculty Award. Yakobson has mentored a number of PhD students and postdoctoral associates, serves on the editorial boards of several journals and on steering committees.



Modeling and Simulation

Since their discovery, carbon nanotubes (CNT) promise variety of applications [1] which one can divided into four groups: (i) small scale mechanical, e.g. resonators, sensors, channels, (ii) large scale structural-mechanical in fibers, cables, composites, shock-absorbers, flywheels as well as (iii) small scale electronics/devices as transistors, interconnects, photo-sensing and (iv) large scale power electrical grids, motors, field-emitters. All these have dramatically different requirements in specificity of CNT type and degree of perfection, but also in the required product volume. Accordingly each of directions drives theoretical modeling developments for different aspects in its own different way. I will discuss some established views in understanding the CNT mechanics [2], individual and as assemblies, as well as recent developments in simulations of defect formation [3] and growth mechanisms, in particular what is needed for growing very long uninterrupted tubes or for chiral-specific growth [4], which we begin to understand significantly better than just 2-3 years ago [5],. If time permits I will also outline how the general notions of MGI can play out in the context of CNT research.

[1] B.I. Yakobson and R.E. Smalley, American Scientist, 85, 324-337 (1997).

[2] T. Dumitrica et al. Proc. Natl. Acad. Sci. 103, 6105 (2006).

[3] Q. Yuan et al. Phys. Rev. Lett. 108, 245505 (2012).

[4] F. Ding et al. Proc. Natl. Acad. Sci., 106, 2506-2509 (2009); R. Rao et al. Nature Mater. 11, 213 (2012); V. Artyukhov et al. Proc. Natl. Acad. Sci. 109, 15136 (2012).

[6] E. Penev et al. ACS Nano, 8, 1899 (2014); V. Artyukhov et al. Nature Comm. DOI:10.1038/ncomms5892 (2014).