Despite its fundamental importance for a broad range of applications, little is understood about the behaviour of metals during the initial phase of shock compression. Here, we present molecular dynamics (MD) simulations of shock-wave propagation through a metal allowing a detailed analysis of the dynamics of high strain-rate plasticity. Previous MD simulations have not seen the evolution of the strain from one- to three-dimensional compression that is observed in diffraction experiments. Our large-scale MD simulations of up to 352 million atoms resolve this important discrepancy through a detailed understanding of dislocation flow at high strain rates. The stress relaxes to an approximately hydrostatic state and the dislocation velocity drops to nearly zero. The dislocation velocity drop leads to a steady state with no further relaxation of the lattice, as revealed by simulated X-ray diffraction.

In situ x-ray diffraction studies of iron under shock conditions confirm unambiguously a phase change from the bcc (alpha) to hcp (epsilon) structure. Previous identification of this transition in shock-loaded iron has been inferred from the correlation between shock-wave-profile analyses and static high-pressure x-ray measurements. This correlation is intrinsically limited because dynamic loading can markedly affect the structural modifications of solids. The in situ measurements are consistent with a uniaxial collapse along the [001] direction and shuffling of alternate (110) planes of atoms, and are in good agreement with large-scale nonequilibrium molecular dynamics simulations.

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Pressure- and temperature-induced phase transitions have been studied for more than a century but very little is known about the non-equilibrium processes by which the atoms rearrange. Shock compression generates a nearly instantaneous propagating high-pressure/temperature condition while in situ X-ray diffraction (XRD) probes the time-dependent atomic arrangement. Here we present in situ pump–probe XRD measurements on shock-compressed fused silica, revealing an amorphous to crystalline high-pressure stishovite phase transition. Using the size broadening of the diffraction peaks, the growth of nanocrystalline stishovite grains is resolved on the nanosecond timescale just after shock compression. At applied pressures above 18 GPa the nuclueation of stishovite appears to be kinetically limited to 1.4±0.4 ns. The functional form of this grain growth suggests homogeneous nucleation and attachment as the growth mechanism. These are the first observations of crystalline grain growth in the shock front between low- and high-pressure states via XRD.

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A method of obtaining powder diffraction data on dynamically compressed solids has been implemented at the Jupiter and OMEGA laser facilities. Thin powdered samples are sandwiched between diamond plates and ramp compressed in the solid phase using a gradual increase in the drive-laser intensity. The pressure history in the sample is determined by back-propagation of the measured diamond free-surface velocity. A pulse of x rays is produced at the time of peak pressure by laser illumination of a thin Cu or Fe foil and collimated at the sample plane by a pinhole cut in a Ta substrate. The diffracted signal is recorded on x-ray sensitive material, with a typical d-spacing uncertainty of ~0.01 Å. This diagnostic has been used up to 0.9 TPa (9 Mbar) to verify the solidity, measure the density, constrain the crystal structure, and evaluate the strain-induced texturing of a variety of compressed samples spanning atomic numbers from 6 (carbon) to 82 (lead). Further refinement of the technique will soon enable diffraction measurements in solid samples at pressures exceeding 1 TPa.

In situ x-ray diffraction has been used to measure the shear strain (and thus strength) of single crystal copper shocked to 100 GPa pressures at strain rates over two orders of magnitude higher than those achieved previously. For shocks in the [001] direction there is a significant associated shear strain, while shocks in the [111] direction give negligible shear strain. We infer, using molecular dynamics simulations and VISAR (standing for 'velocity interferometer system for any reflector') measurements, that the strength of the material increases dramatically (to approximately 1 GPa) for these extreme strain rates.

The structure of laser-shock-compressed polycrystalline iron was probed using in situ x-ray diffraction over a pressure range spanning the α-phase transition. Measurements were also made of the c/a ratio in the phase, which, in contrast with previous in situ x-ray diffraction experiments performed on single crystals and large scale molecular dynamics (MD) simulations are close to those found in high pressure diamond anvil cell experiments. This is consistent with the observation that significant plastic flow occurs within the nanosecond timescale of the experiment. Furthermore, within the sensitivity of the measurement technique, the FCC phase that had been predicted by MD simulations was not observed.