Regarding Morse parameters for an alloy

Hi all,
I am using an alloy in which two metal atoms are there. Morse parameters are known for both the metals but morse parameters for the interaction between these two metals are not known(not available in literature).
pair_coeff 1 1 0.342 1.358 2.866 #(Cu)
pair_coeff 2 2 1.17 2.035 1.28 #(Be)
pair_coeff 1 2

how to consider the approximate morse values for 1 and 2 interaction?

Use a mixing rule?

Steve

Hi,
Could you please brief.
I am using Cu alloy in which small percentage (2-4%) Be grains are distributed in Cu.

The 3 params in a Morse potential have a physical meaning,

that affects the shape of the potential. If you have them for Cu and for

Be, you might be able to combine them to get params for Cu/Be,

similar to what is done for LJ. Whether that makes sense

or is accurate for a Cu/Be alloy, I don’t know. That is up to

you, your advisor, and the literature to decide.

Steve