Saeede Jam

5 Questions 12 Answers 0 Followers

Questions related from Saeede Jam

How to create realistic carbon nanotube junctions?

Dear all, I want to connect carbon nanotubes as they connect in reality. It means that in the connection area there are pentagons and heptagons. I use CONTUb (an algorithm for connecting two...

05 January 2022 3,870 3 View

Surface roughness in tubes?

Dear all, I want to know about defining surface roughness in tubes. I connect two tubes with different radius, for example have one smaller tube between two parts of larger tube and then increase...

02 March 2019 506 1 View

How to put water molecules with the constant density in a carbon nanotube?

Dear all, I want to calculate the density of water in cnt at 300 K and 1 atm (cnt connected to the two reservoirs of water). then as in the papers said i want to simulate a single cnt and filled...

21 February 2016 4,961 1 View

How to choose the appropriate correlation parameters for calculating auto correlation function in LAMMPS?

Dear all, I want to calculate force auto correlation function in LAMMPS by the fix ave/correlate command, but I don't know how to choose the Nevery, Nrepeat to get the good results! and also I do...

11 February 2016 5,035 4 View

Any suggestions on a question about change_box command in lammps?

Dear researchers, I want to calculate the viscosity of water in carbon nanotubes, first i have two reservoirs of water that connected with a CNT, after the equilibration i remove the reservoirs....

30 December 2015 7,678 14 View