would like to know more about, different dynamic modelling methods and boundary conditions, criterias for nano-composites
Hi,
The wikipedia article on "Molecular Dynamics" gives a very good idea about MD. From there you get the links for the different kinds of Potentials (inter-atomic interactions) and algorithms used in MD simulations.This is a must-read article and should be foremost.
My suggestion (based on my experience, actually, I am studying MD simulation of Nanoindentation) is that you first download enough journal papers from a good resource e.g. Scopus (or whatever your institute has access to), and then do a systematic study of that.
First you need to get an idea of:
- what other researchers are doing in the field of nanocomposites,
- what they are trying to simulate in nanocomposites, applications of MD simulation (MDS),
- what additional information is been obtained from MDS of nanocomposites,
- how do they compare with the existing experimental studies,
- what are the simulation parameters (simulation time step, simulation time, no of atoms/molecules and layers, their arrangement etc.) been used in the MDS,
- what are the potentials being used (most important and difficult part of MDS).
You may not be understanding anything out of it initially (without having much knowledge of MD), but by the time you have reached 10th paper, you will definitely understand whats happening, and exactly what to study in MD relevant to nanocomposites.
For more detailed study refer to following books:
1) Molecular Dynamics Simulations: Elementary Methods by J.M. Haile
2) The art of Molecular Dynamics Simulation by D.C. Rapaport
Hope this helps. Cheers !.
It depends on what you need from simulation. We have simulated the electromachanical behavior of nanowires/polymer nanocomposites. Find more information in:
https://www.researchgate.net/publication/261767953_Highly_Stretchable_and_Sensitive_Strain_Sensor_Based_on_Silver_Nanowire-Elastomer_Nanocomposite
Article Highly Stretchable and Sensitive Strain Sensor Based on Silv...
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