Dear Oleg and Marks
Thank you for your quick reply. Sorry for late, I was away for two days.
@Oleg:
Yes I mean ultimate material strength. The sent paper is quite helping. In
FIG. 2., stress-strain curve is drawn. We know applied strain but how can
we measure stress (F/A). Ok A is known but What
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
Maybe it is appropriate to clarify this.
As a rule plasticity occurs via dislocation motion and/or nucleation. While
these can be modelled it is a complex calculation to obtain the needed
terms. If you are interested in this read up on terms such as Peierls
stresses, e.g.
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
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