force field

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1

Hi my friends!
I am trying to simulate an alloy with base Cu and different percent of Al. When Cu is %100 & Al is %0, how can I use AlCu.eam.alloy for force field ?

I use this commands:

set group all type/fraction 2 0 12393
mass 1 63.546
mass 2 26.9815

Is it true?

Thanks,
Nili

2

Hi my friends!
I am trying to simulate an alloy with base Cu and different percent of Al.
When Cu is %100 & Al is %0, how can I use AlCu.eam.alloy for force field ?

I use this commands:
set group all type/fraction 2 0 12393
mass 1 63.546
mass 2 26.9815

Is it true?

​please think about it. you should come up with the answer by yourself.​
think about what your "set" command line is doing (or not).

​please also consider, that it is *extremely* simple in this case to
verify​ whether you get the desired result.

​axel.​

3

Hi Dr.Axel ;
I forgot to write it :

pair_style eam/alloy
pair_coeff * * AlCu.eam.alloy Cu Al

I want to know is it true?
I thought a lot and run more time but I am in doubt yet…

So Thanks;
Nili