Old question in Lammps: Can we conbine dpd/stat with fix/deform instead of dpd/stat with Lee-Edwards Boundary?

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1

Hello everyone!
I am very thankful to anybody who answey my questions

I check the list mail, and I find Mr. Steve Plimpton had anwsered in 03/29/2011
**"**I believe fix deform with a triclinic box and (optionally) using fix nvt/sllod is conceptually identical to LE. It’s simply another way to do the same thing."

I believe the answer is yes for my question
So my first problem is that I want to confirm it.

Additionally, I need enough information before my work,

Why this method is equal to LE boundary?

In mannual, there is no reference in fix/deform command, maybe this is a usual algorithm, just like neighbor command

In Allen and Tildesley’s book-Computer Simulation of Liquids, Oxford University Press 1987, when they talk about LE boundary(Page 246),
“This is atransformation of the same kind as seen in the Parrinello-Rahman method”

And the picture of this method(Page 237 ,Fig 7.3 in this book) make me know something why we could use this method

So my sencond problem is that the reference are very “old” in this book, does Lammps also refer this?

In my opintion, some command could point out some references, and these maybe useful to beginner in different field,
just like me /(ㄒoㄒ)/~~

Best Wishes,
Yongjin, Ruan

2

There is a fix deform command (one of many fix commands).

I haven’t done LE before, but I think they essentially the

same thing. I.e. non-equlibrium MD with a deforming

simulation box.

Steve

3

You may want to take a look at this paper:

http://www.tandfonline.com/doi/abs/10.1080/00268970310001648726

They have a brief section on the equivalence of the LE sliding brick condition and the method used in LAMMPS, which the authors call the “Lagrangian Rhomboid” method.

-David