Superelasticity of Carbon Nanocoils from Atomistic Quantum Simulations

Superelasticity of Carbon Nanocoils from Atomistic Quantum Simulations

A structural model of carbon nanocoils (CNCs) on the basis of carbon nanotubes (CNTs) was proposed. The Young's moduli and spring constants of CNCs were computed and compared with those of CNTs. Upon elongation and compression, CNCs exhibit superelastic properties that are manifested by the nearly invariant average bond lengths and the large maximum elastic strain limit. Analysis of bond angle ...

NiTi superelasticity via atomistic simulations

ISSN: 0950-0839 (Print) 1362-3036 (Online) Journal homepage: http://www.tandfonline.com/loi/tphl20 NiTi superelasticity via atomistic simulations Piyas Chowdhury, Guowu Ren & Huseyin Sehitoglu To cite this article: Piyas Chowdhury, Guowu Ren & Huseyin Sehitoglu (2015) NiTi superelasticity via atomistic simulations, Philosophical Magazine Letters, 95:12, 574-586, DOI: 10.1080/09500839.2015.11238...

Quantum-mechanical atomistic simulations of sliding friction of carbon flakes

Easy synthesis of graphitic carbon nanocoils from saccharides

Graphitic carbon nanocoils with a high degree of crystallinity have been synthesized by using as intermediates hydrothermally carbonized samples (here denoted as hydrochar) obtained from three representative saccharides (glucose, sucrose and starch). The hydrochar samples were converted to graphitic nanocoils at moderate temperatures (900oC) using nickel nanoparticles as a graphitization cataly...

Phase diagram of silicon from atomistic simulations.

In this Letter we present a calculation of the temperature-pressure phase diagram of Si in a range of pressures covering from -5 to 20 GPa and temperatures up to the melting point. The phase boundaries and triple points between the diamond, liquid, beta-Sn, and Si34 clathrate phases are reported. We have employed efficient simulation techniques to calculate free energies and to numerically inte...