Hi All, I am new in Molecular dynamics, I have to do the cascade simulations in the alloy, can you please give me an idea about what the steps that I need to focus? In order to do the Cascade simulation am I need to optimize the structure? Any recommendations are greatly appreciated.
Thank youu
@Seem Welcome to the world of MD.
Unfortunately, your question is far too generic for this forum. We focus on LAMMPS specific questions.
What you are asking are asking for is how to do your research and how to learn your craft. These are the kind of questions that you would ask your adviser or your tutor. A forum on the internet cannot be a substitute for that. Please be mindful of the fact that people here volunteer their time and they just don’t have enough time to train and tutor you and many are not specifically interested or experienced in your area of research either. Beyond that, if you want to learn about how to perform studies, you should read publications that are similar to your planned work and specifically the parts about models and methods in those. But the before that, it is a very good idea to receive some training and supervision from a local adviser or tutor.
Basically what I did for almost a year is read doc.lammps.org (pdf is ~3000 pages) on the bus/train to school (30-45 mins there and back again) and watch some YouTube videos. Still to this day, every now and then i find something i didn’t know about.
best single document to read
https://doi.org/10.1016/j.cpc.2021.108171
https://www.youtube.com/@templelammps/streams
2024 was all developer-related except first one excellent intro.
https://www.youtube.com/watch?v=pPN4ll7cSrU&t=8080s
2023 was a lot more applications-related. i didn’t watch much of it so i’m not sure of all that’s there. It was a full 5 days of talks.
Thank you for your reply and I will try to watch these videos