Regensburg 2016 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 11: Topical session: Integrated computational materials engineering for design of new materials III
MM 11.6: Vortrag
Montag, 7. März 2016, 17:30–17:45, H39
Ab initio prediction of sound velocities in planetary inner cores — •Jan W. Jaeken1, Attilio Rivoldini2, Tim van Hoolst2, Veronique Van Speybroeck1, Michel Waroquier1, and Stefaan Cottenier1,3 — 1Center for Molecular Modeling, Ghent University — 2Reference Systems and Planetology, Royal Observatory of Belgium — 3Department of Materials Science and Engineering, Ghent University
Earth's inner core's sound velocities and acoustic anisotropy are well known through seismological observation. However, explaining this anisotropy has proven to be difficult. High pressure experiments are not easy to perform, especially when considering exoplanets with even higher core pressures.
Ab initio modeling provides a tool for determining material properties when experiments are difficult or dangerous. We have studied the effect of stacking faults on the sound velocities of close-packed iron at high pressures. We show how the stacking sequence has a crucial effect on acoustic anisotropy.
The method outlined in this work is material-independent, making it a potentially valuable tool in the design of new materials with user-defined sound propagation properties.