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<div class="gmail_quote">On 29-May-2016 3:47 pm, "Víctor Luaña" <<a href="mailto:victor@fluor.quimica.uniovi.es">victor@fluor.quimica.uniovi.es</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">On Sun, May 29, 2016 at 05:47:27AM +0530, Murugan Sundareswari wrote:<br>
> Dear All,<br>
> Greetings from India.<br>
> We are working on mechanical properties and ductility behavior of some<br>
> refractory materials... How to plot stress-strain curve for a cubic<br>
> intermetallic?<br>
<br>
That's exactly the purpose of two open source codes: asturfit is written<br>
in octave and I find it more useful for an user that likes scientific<br>
programming. The gibbs2 software is written in fortran and it is more<br>
powerful if you want to include information on the phonon density<br>
of states and examine the thermal effect on to the properties.<br>
<br>
Alll codes hav been published on Comput. Phys Commun. The gibbs2 is<br>
an improvement on the gibbs code published in<br>
<br>
Comput Phys Commun 158 (2004) 57--72<br>
<br>
<br>
The article is written with mastery by the late Miguel Álvarez Blanco<br>
and it is useful to start here.<br>
<br>
For the asturfit and gibbs2 code:<br>
<br>
Comput Phys Commun 182 (2011) 1708--1720; 2232--2248<br>
<br>
The codes are actively maintained and you can find the last versions<br>
in github (see my signature below.<br>
<br>
Best regards,<br>
Víctor Luaña<br>
<br>
--<br>
. . "El sabio siempre quiere aprender, el ignorante siempre<br>
/ `' \ quiere enseñar" (-- refranero )<br>
/(o)(o)\ ~The wise always wants to learn, teach the ignorant always wants~<br>
/`. \/ .'\ "Lo mediocre es peor que lo bueno, pero también es peor<br>
/ '`'` \ que lo malo, porque la mediocridad no es un grado, es una<br>
| \'`'`/ | actitud" -- Jorge Wasenberg, 2015<br>
| |'`'`| | ~Mediocre is worse than good, but it is also worse than<br>
\/`'`'`'\/ bad, because mediocrity is not a grade, it is an attitude~<br>
===(((==)))==================================+=========================<br>
! Dr.Víctor Luaña, in silico chemist & prof. !<br>
! Departamento de Química Física y Analítica !<br>
! Universidad de Oviedo, 33006-Oviedo, Spain !<br>
! e-mail: <<a href="mailto:victor@fluor.quimica.uniovi.es">victor@fluor.quimica.uniovi.es</a>> !<br>
! phone: +34-985-103491 fax: +34-985-103125 !<br>
+--------------------------------------------+<br>
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