Boron MEAM potential

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1

Dear all

I am searching a MEAM potential for Boron.

I do not find it neither in NIST database. I want to include corresponding MEAM parameters into library.meam file for direct use in LAMMPS for complex multi-element (>6) alloy.

Thank a lot for help.

Pascal

Pascal BRAULT
Directeur de Recherche CNRS

Délégué Scientifique Energie CNRS-INSIS

Directeur de la FR776 EPEE
GREMI UMR7344 CNRS - Université d’Orléans
14, rue d’Issoudun BP6744
F-45067 ORLEANS Cedex2
Tel. 06 31 49 87 90 - Fax. 02 38 41 71 54

Pascal.Brault@…2724…

http://www.univ-orleans.fr/gremi

http://www.univ-orleans.fr/gremi/pascal-brault
http://Pascal.Brault.pagesperso-orange.fr

http://www.researcherid.com/rid/A-7027-2009

http://scholar.google.fr/citations?user=Jzng5nEAAAAJ&hl=fr

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2

Dear all

I am searching a MEAM potential for Boron.

I do not find it neither in NIST database. I want to include corresponding
MEAM parameters into library.meam file for direct use in LAMMPS for complex
multi-element (>6) alloy.

your best bet is probably to search the published literature to see,
if such parameters exist at all.

axel.

3

Dear A. Kohlmeyer
You are right: I have spent two days by searching through literature without success for the moment. I thought may be somebody already someone has an idea or a reference that I missed.
I will go on for a time.
Have a nice weekend :slight_smile:
Regards
Pascal
#paris

Pascal Brault
DR CNRS
INSIS
GREMI UMR7344
CNRS-Université d'Orléans
+33631498790

4

Dear A. Kohlmeyer
You are right: I have spent two days by searching through literature without success for the moment. I thought may be somebody already someone has an idea or a reference that I missed.

chances for that are rather slim, as you'd have to come across
somebody working on a similar research topic.

I will go on for a time.

well, the other alternative would be to teach yourself how to do the
parameterization yourself, but that is usually not something for the
faint of heart and requires quite a bit of experience and a little bit
of voodoo magic. :wink:

axel.