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Enhanced densification, strength and molecular mechanisms in shock compressed porous silicon

Matthew, J.; Lane, D.; Thompson, Aidan P.; Vogler, Tracy V.

We have recently shown that the final density of silicon under shock compression is anomalously enhanced by introducing voids in the initial uncompressed material. Using molecular simulation, we also demonstrated a molecular mechanism for the effect, which is seen in a growing class of other similar materials. We have shown that this mechanism involves a premature local phase transition nucleated by local shear strain. At higher shock loads we show here that this transition becomes frustrated producing amorphous silicon.We also observe local melting below the equilibrium melt line for bulk silicon. Large-scale non-equilibrium molecular dynamics (NEMD) and Hugoniostat simulations of shock compressed porous silicon are used to study the mechanism. Final stress states and strength were characterized versus initial porosity and for various porosity microstructures.