[Wien] About material breaking

[Oleg Rubel]

Do you mean the ultimate material strength when you refer to "breaking point”?

Straightforward calculations (like this one http://arxiv.org/pdf/1303.7259v1.pdf) are possible, but the obtained result will be orders (!) of magnitude higher than any practical values. The reason is that it is hard to capture mechanisms of materials plasticity at such a small scale.

Oleg

> On Nov 26, 2015, at 02:35, Muhammad Sajjad <sajjadpu at gmail.com> wrote:
> 
> Dear All
> Can we use WIEN2K fto know about breaking point of material?  I know to calculate phonon spectrum  (using phonopy) for the stability of material but not breaking. Also some information from elastic constant (like C11 = Young Mod.). 
> 
> -- 
> Kind Regards
> Muhammad Sajjad 
> Post Doctoral Fellow
> KAUST, KSA.
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