https://doi.org/10.1051/epjconf/20101000009
Isomorphic phase transformation in shocked Cerium using molecular dynamics
Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
a e-mail: vdupont@lanl.gov
b e-mail: sc@lanl.gov
c e-mail: tcg@lanl.gov
Cerium (Ce) undergoes a significant (∼16%) volume collapse associated with an isomorphic fcc-fcc phase transformation when subject to compressive loading. We present here a new Embedded Atom Method (EAM) potential for Cerium that models two minima for the two fcc phases. We show results from its use in Molecular Dynamics (MD) simulations of Ce samples subjected to shocks with pressures ranging from 0.5 to 25 GPa. A split wave structure is observed, with an elastic precursor followed by a plastic wave. The plastic wave causes the expected fcc-fcc phase transformation. Comparisons to experiments and MD simulations on Cesium (Cs) indicate that three waves could be observed. The construction of the EAM potential may be the source of the difference.
© Owned by the authors, published by EDP Sciences, 2010
