What is tubeXYZ
tubeXYZ is a project written as a part of the Technion Computational Physics Course, it enabled you to construct a nanotube from a chiral vector (n,m) and write the (x,y,z) atom locations to a data file that can later be read by AViz (Atomistic Simulation Vizualization).
Currently the program can output:
The program uses a better algorithm then the traditional roll-up model (Dresselhaus et al)
called the polyhedral model (Cox and Hill)
. This model takes into account the curvature the nanotubes develop upon that rolling the sheet of graphene. This gives a closer to reality description of the tubes.
The program was written in Fortran 95 and can be compiled with gfortran ( >= 4.5.2 ) on any Linux system. We also provide Windows binaries (.exe)
To run tubeXYZ on windows all you have to do is download the binaries and run the tubeXYZ.exe file
Download windows binaries
Make sure you have gfortran ( >= 4.5.2 )and GNU fortran compiler installed on your system, than
Download tubeXYZ source (.tar.gz)
and extract the files to a folder of your choice.
> tar -xvf tubexyz.tar.gz
For this example the files are located in /home/myusername/tubeXYZ
open the terminal, then navigate to the tubeXYZ folder in the user directory
> cd tubexyz
now we compile using gfortran and the provided makefile
> make clean
after make finish you can run the program using:
Software written by David Mazvovsky, please feel free to contact me with questions and suggestions