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arXiv · 2205.06638

An \textit{ab initio} study of shock-compressed copper

Maximilian Schörner·Bastian B. L. Witte·Andrew D. Baczewski·Attila Cangi·Ronald Redmer
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Abstract

We investigate shock-compressed copper in the warm dense matter regime by means of density functional theory molecular dynamics simulations. We use neural-network-driven interatomic potentials to increase the size of the simulation box and extract thermodynamic properties in the hydrodynamic limit. We show the agreement of our simulation results with experimental data for solid copper at ambient conditions and liquid copper near the melting point under ambient pressure. Furthermore, a thorough analysis of the dynamic ion-ion structure factor in shock-compressed copper is performed and the adiabatic speed of sound is extracted and compared with experimental data.

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Maximilian Schörner, Bastian B. L. Witte, Andrew D. Baczewski, Attila Cangi, Ronald Redmer. 2022-05-13. An \textit{ab initio} study of shock-compressed copper. https://doi.org/10.1103/physrevb.106.054304

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