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We develop a new approach for modeling titanium carbide derived-carbon (TiC-CDC) systems with residual titanium by the generation of modified atomistic structures based on a silicon carbide derived-carbon (SiC-CDC) model and the application of weighted combinations of these structures. In our approach, the original SiC-CDC structure is modified by (i) removing carbon, (ii) adding carbon and (iii)...
Nanostructured carbon materials continue to attract much interest for use in devices and as fillers in composites. Here, classical molecular dynamics simulations are carried out using many-body empirical potentials to contrast the mechanical properties of straight and coiled carbon nanotubes. The specific properties of a coiled carbon nanotube (CCNT) are investigated under compression, tension, re-compression,...
Buckling responses of multi-walled carbon nanotubes incorporated as torsion springs in electromechanical devices are predicted via classical molecular dynamics simulations. The observations reveal that the outermost walls of the nanotubes act as torsion springs and possess not only greatly enhanced first buckling strengths, but also stiffened post-buckling regimes characterized by a slight growth...
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