[Wien] About material breaking

[Laurence Marks]

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. https://en.wikipedia.org/wiki/Peierls_stress

On Thu, Nov 26, 2015 at 9:39 AM, Oleg Rubel <orubel at lakeheadu.ca> wrote:

> 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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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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