Status of Core-Shell model

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1

Hi Steve and Axel,

I was just wondering about the current status of the Core-Shell model for LAMMPS? Is it far enough along so that my attempt to develop it
on my own is not needed?

Thanks for your time,
Stefan

2

There has been lots of talk about this, but nobody has yet stepped up
and done the work. I don't think there is even a prototype. If you
want to take a crack at it, steal the glory, and presumably get it to
do what you need, I think you should go for it. I am copying Paul on
this, as he may know about some recent developments that will
contradict what I just said.

Aidan

3

You should also talk to Mike Chandross (CCd) to
see if he has done any recent work on this.

Steve

4

I have not.

I've been completely unsuccessful at generating funding for this, unfortunately, so very little progress has been made.

-Mike

5

To all,

Thank you for the circulating this inquiry. Since this style of potential is frequently used to describe ionic ceramics ( my area of research), I think I’m going to see what I can do to get this underway. I suspect that I’ll make little progress but its worth a shot.

Thanks again,
Stefan

6

I’m likewise unaware of development efforts on a Core-Shell model for LAMMPS. I’ll defer to the comments already sent by Aidan, Steve, and Mike Chandross.

Paul