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udcm-su / NTMpy

Simulation of multi temperature and multi layer heat diffusion
http://udcm.fysik.su.se/code
MIT License
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Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium #26

Open Serj-R opened 2 years ago

Serj-R commented 2 years ago

Hi,

I would like to notice that in addition to the dependence of electron thermal conductivity on the temperatures of electrons and lattice, there also dependences of electron-phonon coupling (g) and electron heat capacity (C) on the temperatures of electrons and lattice. And the electron heat capacity does not always depends linearly as it assumed at relatively low temperatures.

As I understand, the most part of the demonstrated dependences are predicted using various theoretical methods and just small amount of values are validated experimentally and only at low temperatures below 1000K (you can see on the graphs in the attached papers).

Therefore, the possibility to model in your code the dependences of electron thermal conductivity, electron-phonon coupling and electron heat capacity (whicj is not always linear) would be very useful.

2008 - E-p coupling and electron heat capacity (Zhigilei).pdf 2020 - Medvedev - Electron-phonon coupling in metals at high electronic temperatures.pdf

VaSca92 commented 2 years ago

Ciao Serj

I am gratefull for the information and the references, the code is undergoing a drastic change and there is room for all these useful features.

Right now, multiple dependence of conductivity and capacity is implemented, but not tested. Coupling multiple dependence is the next change. However, these feature are not tested, but hopefully these reference can be helpful for that.

I am still confident that the update can be completed by late June, but the user interface might be slightly different. If this is the case, I will upload the code as soon as possible with a temporary documentation.

Serj-R commented 2 years ago

Ciao Valentino!

This is great, I'm looking forward for the release of the updated code!

VaSca92 commented 2 years ago

I think the code is ready, I still have to do the validation and documentation. If you want, you can send me the script you prepared that did not work on the current version. If you prefer to keep your file reserved, you can do the test yourself (the code is in the this repository ). Note that the user interface is slightly different, but I can tell you exactly how to use it. Otherwise, there are a couple of examples in the same repository. I thank you in advance for your your help.

Serj-R commented 2 years ago

Ciao, Valentino, I could read your message only now. I've looked through the files from the respository, yeah, it certainly will take sometime to become familiar with a new interface. My test file is not unique at all, I just took one of your examples and modified the input data - so as I'm interested in modelling the evolution of Te and Ti of a simple bulk Au target exposed to single pulse irradiation at several high fluences where the dependences of thermal conductivity, electron capacity and electron-phonon coupling on the Te and Ti must have been considered. Then we should retrieve using Te and Ti the optical properties of heated Au and compare with the experimental data. I think we could colloborate on this subject if your are interested in, of course.

VaSca92 commented 2 years ago

Ciao Serj, i am very interested in a collaboration with you and I would like to further discuss this opportunity via email (valentino.scalera@uniparthenope.it). If you have any paper on this activity, I would really like to read it (also preprints are good). I am quite experienced with simulations and numerical methods, I hope this can give some contribution to your work (beside improving my package). On the other hand, I am not an experimentalist myself (I worked at the UDCM group as theoretican), but I am in contact with them in case it may help.