About CNT Growth Simulation

Who is behind CNT Growth Simulation?

CNT Growth Simulation was sponsored by the LeRoy Eyring Center for Solid State Science.

Software development by:

Under supervision by:

With thanks to:

How was CNT Growth Simulation developed?

CNT Growth Simulation was designed using PHP5. The program contains data representing the structure of two straight tubes with different chiralities and a generic bending tube which connects the two straight tubes. The program sequentially builds up a tube by selecting the next piece randomly based on the user input pressure and temperature. The final structure is written to an XYZ file which can be viewed with Jmol 11.2.9, an open-source Java application.

How does CNT Growth Simulation calculate nanotube growth rate?

CNT Growth Simulation determines the growth rate of the nanotube based on a growth rate calculator. The atomic mass of acetylene is around 26 a.m.u (2 carbons, 24; 2 hydrogren, 2). The nanotube diameter was assumed to always be .707 nm, and the sticking coefficient was taken to be 14%.

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Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
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