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How much of the latent heat of melting is explained by vibrational dynamics?

ORAL

Abstract

Atomic vibrations dominate the entropy of solids and liquids. Less is known about the latent heat, L=TmΔS, which is determined by the melting temperature, Tm, and the entropy of fusion, ΔS. Here, we used inelastic neutron scattering to probe changes in vibrations of Ge, Sn, Pb, Bi, and Zn on an energy scale of ~5-50 meV through the melt. Our analyses, informed by vibrational-transit theory and supported by machine-learned molecular dynamics simulations, show a distinct contribution of atomic dynamics for each element. In Ge, which has an anomalously high entropy of fusion, preliminary results show a vibrational component of ~50%. In Bi, Sn, Pb, and Zn, the role of atomic motion decreases approximately in accordance with the total entropy of fusion to a value of ~5%. We will discuss what these findings imply for the physics of melting by taking a decomposition of the latent heat into electronic, configurational, and vibrational components.

Presenters

  • Camille M Bernal-Choban

    Caltech

Authors

  • Camille M Bernal-Choban

    Caltech

  • Brent Fultz

    Caltech

  • Vladimir Ladygin

    Caltech