Fig. 1. Density profiles of different loading orientation and strength (u_p) for t = 80 ps.

Fig. 2. Microstructure of the sample shocked along [111]: (a) All atoms are shown; (b) only non-fcc atoms are shown. Color coding: Green for local fcc atoms; red for hcp; blue for bcc. Dislocations are illustrated with tubes in (b): Green for Shockley partials; deep blue for perfect fcc dislocations; light blue for stair-rod dislocations. u_p = 150 m·s^–1, t = 80 ps.

Fig. 3. Microstructure of the shocked samples. The shock orientation is along (a) [001], (b) and (c) [011], (d) and (e) [111], respectively. Atoms in fcc structure are hidden in (c) and (e).u_p = 200 m·s^–1, t = 80 ps.

Fig. 4. Shock Hugoniot for single crystal Ce: (a) Shock speed vs. piston velocity; (b) pressure vs. particle velocity. Experimental data is cited from Ref.[20]. The symbol in (b) represents the statistical standard error.

Fig. 5. Pressure profile for each loading orientation at u_p = 200 m·s^–1 and t = 80 ps.

Fig. 6. Temperature-pressure condition of shock-induced and hydrostatic phase transition.

Fig. 7. Radial distribution function of the sample before and after the shocks.

Fig. 8. Phase boundary of shock induced transition. Shock orientation: (a) [001]; (b) [011]; (c) [111]. The atoms of fcc structure with larger atomic volume are hidden.u_p = 200 m·s^-1, t = 80 ps.

Fig. 9. Microstructure of the sample after phase transition shock along [001] with listed piston velocity: (a) u_p^[001] = 150 m·s^–1; (b) u_p^[001] = 200 m·s^–1; (c) u_p^[001] = 250 m·s^–1; (d) u_p^[001] = 300 m·s^–1; (e) u_p^[001] = 400 m·s^–1; (f) u_p^[001] = 500 m·s^–1.

Fig. 10. Comparison of the energy along tetragonal deforma-tion path (atomic volume preserved) and the path of constant a.

Table 1. Parameters of single crystal Ce sample for MD simulation.