LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Basic Question using LAMMPS for SCM Software
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Basic Question using LAMMPS for SCM Software


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 31 Oct 2017 15:11:19 -0400

On Tue, Oct 31, 2017 at 2:24 PM, Morrissey, Liam S. <lsm088@...7202...> wrote:
> I am a new PhD student  and I am looking into doing some micro scale
> simulations on corrosion of Iron in the presence of chloride ions and then
> subsequent mechanical testing of this corroded iron. I would want to make a
> slab or iron, expose it to water with Cl ions, then test the corrosion of
> the iron.
>
> One basic question I have is on the capabilities of the ReaxFF MD package in
> SCM as compared to LAMMPS. Is the SCM suite of software able to replace
> LAMMPS or should it be run with LAMMPS. For example, if I were to run a test
> similar to "Atomistic Insights into Aqueous Corrosion of Copper"  could this
> be done without LAMMPS ( I need to obtain the average charge of copper
> cations etc).
>
> Also, once I look to apply tension tests to box of atoms I assume I now need
> LAMMPS or can the SCM suite cover all my molecular dynamics needs?
>
> Just very confused if SCM is an alternative to LAMMPS or not.

it is odd, that you ask this question on a LAMMPS forum and not an ADF forum.
i think your best shot is to ask, if you can get an ADF trial license
and try and compare both packages side-by-side.

axel.

>
> Thanks very much for your time.
>
> Liam
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> lammps-users mailing list
> lammps-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/lammps-users
>



-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.