Sir
I want a diamond matrix reinforced with the CNT. For this, I have created a diamond box with a hole and inserted CNT in it. But, now i want to form random Hydrogen andCarbon bonds between the matrix and reinforcements.
Can anyone help me on this?
Thanking you in advance and with humble regards
Sir
I want a diamond matrix reinforced with the CNT. For this, I have created a diamond box with a hole and inserted CNT in it. But, now i want to form random Hydrogen andCarbon bonds between the matrix and reinforcements.
what kind of force field are you using? and what are the criteria for bonds? where do the hydrogen atoms come from?
most studies that i have seen on this kind of subject use manybody potentials, where bonds are implicit and thus must not be specified but rather bond-order is computed dynamically during the run.
axel.