Help on LAAMPS- Reg

Hello,

I am current working on the modelling Carbon nanotube reinforced composites in Ansys and require the effective material properties like Young’s modulus, Poisson’s ratio etc of the reinforced composite for comparison with the FEA result. I planned to determine them through MD approach using LAAMPS.

Can someone please guide me in the MD part regarding the modelling and determination of the Material properties and also provide me with the IN FILE and the Potential File for the same?

P.S.- I am new to LAAMPS and would welcome any help.

Hello,

I am current working on the modelling Carbon nanotube reinforced composites
in Ansys and require the effective material properties like Young's modulus,
Poisson's ratio etc of the reinforced composite for comparison with the FEA
result. I planned to determine them through MD approach using LAAMPS.

Can someone please guide me in the MD part regarding the modelling and
determination of the Material properties and also provide me with the IN
FILE and the Potential File for the same?

well, the way i see it, you have two options to choose from:

1) learn how to do MD yourself and then your request is a bad idea.
you have to learn to walk before you can run, i.e. you have to learn
MD basics and some statistical mechanics. while integrating newton's
equations of motions is not a very complicated operation, the value of
any data created from it depends massively on the careful planning and
analysis, which in turn requires sufficient knowledge in the pertinent
background. you seem to be looking for a shortcut, but in my nearly 20
years in this business, i've seen people that try to cut corners as
the beginning fail and waste their time (i.e. do the opposite of what
motivated them to skip learning the basics) over and over again.
for your specific problem, the first order of attack is always to
search the literature (and text books) for methods/algorithms that
apply to your needs and then look up examples for how people have done
this and try to reproduce it. then, and only then, you should proceed
to starting calculations on your own project. by that time, you
probably have found out how to do things on your own. the lammps
manual has a lot of good things in it that you can learn from and some
more stuff is in the many archived e-mail conversations in the mailing
list archives.

2) you collaborate with somebody that is willing to do these kind of
simulations for you. for that you have to find somebody that you can
trust has done and learned the basics properly and you have to make a
good pitch that your project is worth collaborating on.

your suggestion sounds a lot like "please just do my work for me" and
i doubt that you'll find any takers on that.

P.S.- I am new to LAAMPS and would welcome any help.

everybody does. i have a ton of things where i could use somebody that
would help me... i am new at some of them myself and i can be
welcoming, too, if i make an effort. :wink:

cheers,
     axel.