Isomorphic phase transformation in shocked cerium using molecular dynamics
- Los Alamos National Laboratory
Cerium (Ce) undergoes a significant ({approx}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.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC52-06NA25396
- OSTI ID:
- 1027488
- Report Number(s):
- LA-UR-10-05419; LA-UR-10-5419; TRN: US201121%%387
- Resource Relation:
- Journal Volume: 10; Conference: New Models and Hydrocodes for Shockwave Processes in Condensed Matter ; May 24, 2010 ; Paris, France
- Country of Publication:
- United States
- Language:
- English
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