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?