About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thermodynamics and Kinetics of Alloys IV
|
| Presentation Title |
Comparing the Melting Entropy and Latent Heat of Binary
Alloys and Their Components |
| Author(s) |
Anne Lin, Camille Bernal-Choban, Vladimir Ladygin , Brent Fultz |
| On-Site Speaker (Planned) |
Anne Lin |
| Abstract Scope |
The entropy of fusion (melting) was studied for Bi, Sn, Zn and Pb. The entropy of fusion comes from atom vibrations, configurations, and electronic excitations. Inelastic neutron scattering and machine-learned molecular dynamic simulations were used to plot the vibrational entropy of fusion versus the total entropy from the latent heat. The plot showed that Richard’s rule, which states that melting occurs with an entropy of 1.1kB per atom, is correct for single elements when there is zero vibrational entropy of melting. Deviations from Richard’s rule are proportional to changes in vibrational entropy during melting plus an additional configurational entropy of ~80% of the vibrational entropy. Similar methods were used to analyze binary alloys BiSn, PbSn, and SnZn at the eutectic composition. The vibrational entropy contributions in these systems provide insight into how interatomic interactions between dissimilar atoms influence the latent heat of fusion. Support by DOE BESGrant DE-FG02-03ER46055 |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Phase Transformations, Machine Learning |