[lammps-users] Question about the potential file of eam

Hello Jaime

It's so nice to get your reply so soon. Thanks for the website.Actually I have found it before,but I can't convert ot onto lammps format. So I cmome here to ask for the dynamo format.Thak you anyway.

The other question is about the Si potential. According to the manual the SW potential can simulate the Si and C but it does not mention about the interaction between Si and the other elements which was simulated by EAM. So how should deal with the interface.

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hello g943132,

You can find a potential file for Iron in

http://www.ims.uconn.edu/centers/simul/pot/

However, the format of the file is not one recognizable by lammps yet. If
you're able to figure out a way to convert between XMD format to the format
readable by lammps I'll be interested in seeing how you did it.

I think the current version of lammps supports simulation of Si via the
Stillinger-Weber potential but I haven't tried it yet.

Hope this helps
Jaime

Hello everyone:

I'm doing the simulation with EAM.But the elements I can simulate is
constrained by the potential files.Because the iron and Si is wide used in
industry.I am wondering if there is any website I can get the iron and Si
potential files.

Thank you for replying to my question.

Best Regard

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hello <span class="gmail_quote"><b class="gmail_sendername">g943132,<br></b></span><br>You can find a potential file for Iron in <br><br><a href="http://www.ims.uconn.edu/centers/simul/pot/">http://www.ims.uconn.edu/centers/simul/pot/
</a><br><br>However, the format of the file is not one recognizable by lammps yet. If you're able to figure out a way to convert between XMD format to the format readable by lammps I'll be interested in seeing how you did it.
<br><br>I think the current version of lammps supports simulation of Si via the Stillinger-Weber potential but I haven't tried it yet.<br><br>Hope this helps<br>Jaime <br><br><br><br><br><div><span class="gmail_quote">On 11/16/06,
<b class="gmail_sendername"><a href="mailto:[email protected]…101…">[email protected]…101…</a></b> <<a href="mailto:[email protected]…101…">[email protected]…101…</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hello everyone:<br><br>I'm doing the simulation with EAM.But the elements I can simulate is constrained by the potential files.Because the iron and Si is wide used in industry.I am wondering if there is any website I can get the iron and Si potential files.
<br><br>Thank you for replying to my question.<br><br>Best Regard<br><br><br><br><br><br><br><br><br>-------------------------------------------------------------------------<br>Take Surveys. Earn Cash. Influence the Future of IT
<br>Join SourceForge.net's Techsay panel and you'll get the chance to share your<br>opinions on IT & business topics through brief surveys - and earn cash<br><a href="http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV">
http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV</a><br><br>_______________________________________________<br>lammps-users mailing list<br><a href="mailto:[email protected]">
[email protected]</a><br><a href="https://lists.sourceforge.net/lists/listinfo/lammps-users">https://lists.sourceforge.net/lists/listinfo/lammps-users</a><br><br><br></blockquote></div><br>

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