On Sun, May 29, 2016 at 05:47:27AM +0530, Murugan Sundareswari wrote: > Dear All, > Greetings from India. > We are working on mechanical properties and ductility behavior of some > refractory materials... How to plot stress-strain curve for a cubic > intermetallic?
That's exactly the purpose of two open source codes: asturfit is written in octave and I find it more useful for an user that likes scientific programming. The gibbs2 software is written in fortran and it is more powerful if you want to include information on the phonon density of states and examine the thermal effect on to the properties. Alll codes hav been published on Comput. Phys Commun. The gibbs2 is an improvement on the gibbs code published in Comput Phys Commun 158 (2004) 57--72 The article is written with mastery by the late Miguel Álvarez Blanco and it is useful to start here. For the asturfit and gibbs2 code: Comput Phys Commun 182 (2011) 1708--1720; 2232--2248 The codes are actively maintained and you can find the last versions in github (see my signature below. Best regards, Víctor Luaña -- . . "El sabio siempre quiere aprender, el ignorante siempre / `' \ quiere enseñar" (-- refranero ) /(o)(o)\ ~The wise always wants to learn, teach the ignorant always wants~ /`. \/ .'\ "Lo mediocre es peor que lo bueno, pero también es peor / '`'` \ que lo malo, porque la mediocridad no es un grado, es una | \'`'`/ | actitud" -- Jorge Wasenberg, 2015 | |'`'`| | ~Mediocre is worse than good, but it is also worse than \/`'`'`'\/ bad, because mediocrity is not a grade, it is an attitude~ ===(((==)))==================================+========================= ! Dr.Víctor Luaña, in silico chemist & prof. ! ! Departamento de Química Física y Analítica ! ! Universidad de Oviedo, 33006-Oviedo, Spain ! ! e-mail: <vic...@fluor.quimica.uniovi.es> ! ! phone: +34-985-103491 fax: +34-985-103125 ! +--------------------------------------------+ GroupPage: <http://azufre.quimica.uniovi.es/> Articles: <http://scholar.google.com/citations?user=Ibl1BWAAAAAJ&hl=es> git-hub: <https://github.com/aoterodelaroza> _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html