[1] Finite temperature ab initio molecular dynamics calculations were performed to determine the high temperature elastic and seismic properties of the perovskite and post-perovskite phases of pure endmember Al2O3. The post-perovskite phase exhibits very large degrees of shear-wave splitting. The incorporation of a few mole percent of Al2O3 into MgSiO3 is predicted to have little effect on the ...

This manuscript considers the spreading or non-spreadin, 0 of wavepackets. On one hand molecular dynamics simulations have given useful results for many properties of bulk systems These simulations are based upon classical mechanics and would seem to indicate that some Iocahzed wavepacket description for the pat-tide wavefunctions must be applicable on the time scales of interest. Otherwise the...

We theoretically explore the use of UV pump UV probe schemes to resolve in time the dynamics of nuclear wave packets in excited electronic states of the hydrogen molecule. The pump pulse ignites the dynamics in singly excited states, that will be probed after a given time delay by a second identical pulse that will ionize the molecule. The field-free molecular dynamics is first explored by anal...

We develop an atomistic spin-lattice-dynamics model for simulating energy relaxation in magnetic materials. The model explicitly solves equations of motion for the atoms and spins, and includes interaction with electron excitations. We apply the model to simulate the dynamics of propagation of a compressive elastic wave in iron. We find that coupling between the lattice, spin, and electron degr...

Equatorial long-wave theory applies where a small horizontal aspect ratio between meridional and zonal length scales is assumed. In an idealized setting, the theory suggests that (i) meridional wind is small, (ii) geostrophic balance holds in the meridional direction, and (iii) inertio-gravity waves are small in amplitude or ‘‘filtered out.’’ In this paper a spectral data analysis method is use...