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When you load a metal and the deformation results in permanent plastic deformation, the input work should be converted into heat and thus dissipate. But for about 100 years people have struggled to fully grasp how much work is converted to heat and how much stored in the microstructure. This ratio between input work and output heat is commonly known as the "Taylor-Quinney Coefficient". A lot of the trouble comes from the fact that experiments don't really agree one with the other on this measured coefficient. So in our paper we have decided to use MD as the "perfect experiment" and employ the same analysis methods as done by the experimentalists.

As a side note, I think it can be beneficial for us modelers and theoreticians to "cross over" and see what tools and methods are used in experiments and maybe get some insight and inspiration from them.

Does anyone have thoughts about what we did in our paper?

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    $\begingroup$ Welcome to the site! It seems like an interesting concept and I think the site would really benefit from people with more experimental expertise. However, the StackExchange format isn't really set up to handle open ended discussions well. Is there a more specific point in your paper you wanted feedback on? For more general discussion, you could put this link in one of the sites chat rooms. We have LAMMPS chat room that would probably work well for this. $\endgroup$
    – Tyberius
    Dec 11 '20 at 15:12
  • $\begingroup$ Thanks for your comment. I wasn't aware of the chat room. Will definitely take a look. $\endgroup$
    – R. K.
    Dec 11 '20 at 20:04
  • $\begingroup$ We have closed the question for now as it is a little too open ended. If it can be edited to include a more specific query about your paper, then it will be reopened. $\endgroup$
    – Tyberius
    Apr 25 '21 at 1:15