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Surface energy induces collapsed/circular domino process with a (30, 30) single walled carbon nanotube at 0 ps, 6 ps, and 12 ps, respectively. At a high surface energy of λ = 1.0 (a), a successive collapse domino of semi-collapsed SWCNT forms a positive wave (shown with arrowhead ), while at a low surface energy of λ = 0.7 (b), a successive circular domino of semi-collapsed SWCNT forms a negative wave (shown with arrowhead ). 29
(a) The elastic potential energy (black bar) and nonbonded C-C interaction (van der Waals) potential energy (blue bar) of the semi-collapsed (30, 30) SWCNT (t = 0 ps in Fig. 1 ) at different surface energy tuning factors. (b) The elastic potential energy and the van der Waals potential energy of (30, 30) SWCNT as a function of simulation time, and the collapsed state of t = 18 ps in Fig. 1(a) as a timing zero. It should be noted that the nonbonded C-C interaction energy in Figs. 2(a) and 2(b) is shown as an absolute value, which is negative in the simulation. (c) Average speed of domino evolution of single walled carbon nanotube at different surface energy tuning factors. A positive value of the speed represents the evolution from the collapsed part toward circular cross-sectioned part, and a negative value represents a reverse evolution.
Surface energy tuning factor threshold as a function of the diameter of SWCNT. The figure can be regarded as phase diagram between tuning factor and diameter, in which the critical tuning factor shows in fact the phase boundary between collapsed and circular tubes. Insets show typical collapsed state (upper right) or circular state (lower left).
(a) A high temperature induces domino evolution process, which is compared with the low temperature of Figure 1(a) . (b) Phase diagrams of the collapsed/circular evolution of the surface energy tuning factor and temperature at different SWCNTs.
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