A simulation box filled with two different type atoms?

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1

Hello, all,
I have another question,

I use Command as followed to biuld a big simulation box,

lattice fcc 3.6149 orient x -1 0 1 orient y 1 1 1 orient z -1 2 -1
region box block -20 20 -80 20 -50 20

then, I use Command as followed to select a partial region and this region will be filled with Cu atoms.

region workpiece_Cu block INF INF INF -10 INF 0
create_atoms 1 region workpiece_Cu

As you know, there is still an empty region, with no atoms,

Now I want to fill the empty region with another atoms which is different from the one filled, for example, C atoms.

lattice diamond 3.567
create_atoms 4 region tool_C

Dose this be OK?

Thanks, Best regards, Qitao Liu.

2

Hello, all,
I have another question,

I use Command as followed to biuld a big simulation box,

lattice fcc 3.6149 orient x -1 0 1 orient y 1 1 1 orient z -1 2 -1
region box block -20 20 -80 20 -50 20

then, I use Command as followed to select a partial region and this region will be filled with Cu atoms.

region workpiece_Cu block INF INF INF -10 INF 0
create_atoms 1 region workpiece_Cu

As you know, there is still an empty region, with no atoms,

Now I want to fill the empty region with another atoms which is different from the one filled, for example, C atoms.

lattice diamond 3.567
create_atoms 4 region tool_C

Dose this be OK?

This the mailing list for lammps users, not a list for input file approval.

Try it out, visualize it, check it, correct if needed until it is ok for you.

3

Dear Axel Kohlmeyer,

Thanks for your reply very much.
In fact, I do not want to list my input script, either, I just want to make my question easier to understand. When I say my question as following, I am afraid that a few people could understand. So I add them. What I want to know is that if the previous lattice command affect the later one,

First I biuld a big simulation box, then create partial region in the box and fill with Cu atoms. As you know, there is still an empty region, with no atoms, Then I fill the empty region with C atoms. Does the setting for Cu atoms affect the C atoms which is filled later?

I just repeat my question, I feel it does no effect. So Let the Question Drop. Thanks again,
Best regards,
Qitao Liu.

4

Dear Axel Kohlmeyer,

Thanks for your reply very much.
In fact, I do not want to list my input script, either, I just want to make my question easier to understand. When I say my question as following, I am afraid that a few people could understand. So I add them. What I want to know is that if the previous lattice command affect the later one,

First I biuld a big simulation box, then create partial region in the box and fill with Cu atoms. As you know, there is still an empty region, with no atoms, Then I fill the empty region with C atoms. Does the setting for Cu atoms affect the C atoms which is filled later?

I just repeat my question, I feel it does no effect. So Let the Question Drop. Thanks again,

And I feel that this is a question that you could and should easily answer yourself through following carefully what is written in the manual and making a simple test.

See it as a research project. If you cannot figure out such a trivial issue this way, how should you ever be able to solve a.complex problem (like real research)?

5

Thank you for your advice. I really appreciate it.
I’ll do my best.
Best regards,
Qitao Liu.

6

yes, you can use the lattice command and create_atoms command
multiple times to fill a simulation box with different kinds of atoms.

Axel is simply saying it would be simpler for you to try it yourself
and see what the commands do, then ask the question “will this work”.

Steve

7

Thanks, I get it, I just think that to ask is the quick way. So sorry.
Best regards,
Qitao Liu

8

Thanks, I get it, I just think that to ask is the quick way. So sorry.

as you have seen, it is *not* going to be quicker.

please keep in mind that people with experience in responding to
mailing list posts have seen pretty much everything already and
usually have a good sense whether somebody has been doing the
"homework" or just wants to cut corners and have somebody else do it
for them. on the first few questions you usually get the benefit of
the doubt, but sooner or later, you'll be called on it. :wink:

axel.

9

And can I add, since it seems that there are many who think 'I'll just ask the mailing list', that this approach is the quick way to _not_ learn to think for yourself.

Nigel