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Abstract:

When a metallic specimen is plastically deformed, its underlying crystal structure must often rotate in order to comply with its macroscopic boundary conditions. There is growing interest within the dynamic compression community in exploiting x-ray diffraction measurements of lattice rotation to infer which combinations of plasticity mechanisms are operative in uniaxially shock- or ramp-compressed crystals, thus informing materials science at the greatest extremes of pressure and strain rate. However, it is not widely appreciated that several of the existing models linking rotation to slip activity are fundamentally inapplicable to a planar compression scenario. We present molecular dynamics simulations of single crystals suffering true uniaxial strain, and show that the Schmid and Taylor analyses used in traditional materials science fail to predict the ensuing lattice rotation. We propose a simple alternative framework based on the elastoplastic decomposition that successfully recovers the observed rotation for these single crystals, and can further be used to identify the operative slip systems and the amount of activity upon them in the idealized cases of single and double slip.

Abstract:

We present molecular dynamics simulations of shock and release in micron-scale tantalum crystals that exhibit postbreakout temperatures far exceeding those expected under the standard assumption of isentropic release. We show via an energy-budget analysis that this is due to plastic-work heating from material strength that largely counters thermoelastic cooling. The simulations are corroborated by experiments where the release temperatures of laser-shocked tantalum foils are deduced from their thermal strains via in situ x-ray diffraction and are found to be close to those behind the shock.

Abstract:

The phase stability, crystal structure, and melting of Nb have been examined under high pressure shock compression to 365 GPa using ultrafast x-ray diffraction measurements on two x-ray free electron laser facilities. On compression, Nb remains stable in the bcc phase up to 220 GPa, with coexistence of bcc-Nb and liquid from 249 to 298 GPa, and complete melting at 301 GPa, with melt identified by diffuse liquid diffraction. Melting initiates at higher pressure than expected based on theoretical predictions, and the data consistently excludes the presence of other suggested phases of Nb at these pressures, including and hcp, thereby resolving the long-standing structural discrepancy. Singh-type strength analysis provides experimental evidence for a change in sign of the elastic anisotropy parameter at 121 GPa, consistent with the previously reported heat-induced hardening to heat-induced softening transition in Nb.