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Re: [lammps-users] Radiation damage post processing
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Re: [lammps-users] Radiation damage post processing

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 5 Jul 2017 18:13:49 -0400

On Wed, Jul 5, 2017 at 5:07 PM, Meral Sharkas via lammps-users
<> wrote:
> Dear Lammps users,
> I am new to the molecular dynamics field. I am trying to simulate radiation
> damage in a material, ,I want to calculate the displacement threshold energy
> and study the dislocated cascades.
> Can you advice me what post processing codes I can use or just guide me to
> how I search about that as this is a new field for me and for my supervisor
> as well.

the best way to get started in a new field is to partner up with
somebody that has the desired expertise and is willing to tutor and
advise you (depending on how attractive your research target is, it
may be easy (or not) to entice people to partner with you in exchange
for co-authorship on publications resulting from the collaboration).

there are usually far too many details and "tricks of the trade" that
one needs to know, to introduce them via an e-mail.

the second best option, is to make a survey of the published
literature and try to reproduce some (introductory) work.
if you are new to the general method, then you should first follow
some text book examples and tutorials to learn the fundamentals of the
methodology as well. it is almost always a mistake to start with your
specific research project right away in this case.


> Thank you in advance and apologies if it is a primary question or out of the
> scope of the mailing list.
> Regards
> Meral
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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.