Recently I've been studying dislocations in diamonds, since computational simulation has already been an efficient method to help analyze dislocation nucleation, interaction as well as properties of materials. For a person who has basic knowledge of programing but never got to these analytical methods before.
Where should I begin if I want to use computational simulation to study dislocations (including dislocation dynamics, stress, strain field, resulted birefringence, and the effect on physical properties of materials)?
Are there any useful software or codes?
Where should I start?
Thank you for your response.
Molecular dynamics and First principle caculations might be the choice.
If you're interested in using computational simulation to study dislocations in diamonds, there are several software packages and codes that you could use. Here are a few suggestions:
To get started with using these software packages and codes, you may want to begin by reading some introductory materials on molecular dynamics simulations and electronic structure calculations. There are many textbooks and online resources available on these topics. Once you have a basic understanding of these methods, you can start exploring the various software packages and codes and experimenting with them to study dislocations in diamonds. It's also a good idea to join online forums and discussion groups where you can ask questions and get advice from more experienced researchers in the field.
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