Table 5 Simulated heats of mixing for selected MNPs.
FeCu nanoalloy | \(\:{\varDelta\:\varvec{H}}_{\varvec{m}\varvec{i}\varvec{x}}\) (kcal/mol) |
|---|---|
CS(25,30) | −35.78 |
CS(25,50) | −21.45 |
CS(35,50) | −41.24 |
Janus(25,25) | −43.65 |
Janus(25,45) | −21.66 |
FeCu nanoalloy | \(\:{\varDelta\:\varvec{H}}_{\varvec{m}\varvec{i}\varvec{x}}\) (kcal/mol) |
|---|---|
CS(25,30) | −35.78 |
CS(25,50) | −21.45 |
CS(35,50) | −41.24 |
Janus(25,25) | −43.65 |
Janus(25,45) | −21.66 |
