Raj Chawla

6 Questions 6 Answers 0 Followers

Questions related from Raj Chawla

Is it possible to use ReaxFF (Reactive Force field) with Materials Studio ?

I want to study the impact analysis of Graphene-Polymer composites. This can be best describes by the reactive force fields. My project work stuck in between because of force field, it's not...

02 February 2017 3,811 2 View

Which method can predict the accurate results of mechanical properties of single-walled carbon nanotubes and their composites ?

1. Static2. Stress fluctuation3. Constat strain How to use them for MD trajectries?Kindly explain method and changes we have to do.Thanks

01 January 2017 3,773 0 View

What are the parameters one should keep in my mind while simulating the CNT/Graphene-Polymer nanocomposites?

I'm new in this field. I'm aware of packing and simulation but I want to know how to use simulation parameters for proper relaxation of the structure. How to obtain the accurate results to match...

12 December 2016 8,290 4 View

Which software should I use for the modelling of helical carbon nanotubes?

Kindly suggest me any software package. I tried VMD and Materials Studio 8 for this but not able to model it.

11 November 2016 6,501 4 View

What is the most efficient way to minimize the energy of the CNT-Polymer system and obtain the system with proper density and low residual stresses?

There are various studies and all have used different approaches some have provided NPT, 800K, 1fs , 1ns and using another 500ps with 298K they have obtained the required system. Some have used...

07 July 2016 4,840 1 View

Can anyone please explain these RDF graphs of SWCNT ?

Kindly explain these graphs and provide any paper or book related to RDF of carbon nano tubes.

02 February 2016 4,954 1 View