We used the MEAM potential to investigate the melting and solidification process on a cube of a specific alloy. Heating to a temperature sufficiently above the melting point was performed at a rate of 1 K/ps and then kept at this temperature for 1 ns, and then cooled to room temperature at a rate of 1 K/ps.
We expected the final structure to be crystalline, but the resulting structure was utterly amorphous. We investigated similar conditions using the EAM potential, and the resulting structure was crystalline.
Can it be concluded that this potential is unsuitable for examining such processes? What is the cause?
From the fundamental point of view, the MEAM type potential is more accurate than the EAM potential because it takes into consideration the 3-body terms in a more appropriate way as well as the angular term. Therefore, if the MEAM potenitel is well fitted to the structural properties of your alloys (the different phases), normally it will give you good results. also, it is necessary to compare with the experimental results if available to judge the final state of your alloy after cooling.
best regards
The size of your model (number of atoms) can also affect the ability to form a crystalline structure.
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