Atomistic investigation of cavitation and ablation in tantalum foils under irradiation with x-rays approaching 5 keV
Physical Review B American Physical Society 106 (2022) 024107
Abstract:
The rapid irradiation and heating of matter can lead to material removal via a process known as ablation. While previous investigations have focused on ablation with optical and soft x-ray pulses, the process is not well understood for the high-energy x-rays delivered at current x-ray free electron laser facilities. In this paper, we use hybrid two-temperature model molecular dynamics simulations to determine the damage threshold and dynamics for tantalum foils under irradiation with x-rays in the range 1–5 keV. We report that damage occurs for foils with thickness 300 nm when heated to around 1.25 eV/atom. This damage results from the combined processes of melting and cavitation, finally resulting in the removal of material layers. The predictions of this study, in terms of the cavitation threshold and underlying dynamics, could guide interpretation of experiments as well as applications including development of beamline optics for free-electron lasers. We report consistency between cavitation and ablation behavior in isochoric heating experiments and spall processes in hydrodynamic compression and release experiments, confirming the primary modes of damage are mechanical in nature for the x-ray energies investigated.Author Correction: Metastability of diamond ramp-compressed to 2 terapascals.
Nature 605:7909 (2022) E1
Slip competition and rotation suppression in tantalum and copper during dynamic uniaxial compression
Physical Review Materials American Physical Society 6 (2022) 043605
Abstract:
When compressed, a metallic specimen will generally experience changes to its crystallographic texture due to plasticity-induced rotation. Ultrafast x-ray diffraction techniques make it possible to measure rotation of this kind in targets dynamically compressed over nanosecond timescales to the kind of pressures ordinarily encountered in planetary interiors. The axis and the extent of the local rotation can provide hints as to the combination of plasticity mechanisms activated by the rapid uniaxial compression, thus providing valuable information about the underlying dislocation kinetics operative during extreme loading conditions. We present large-scale molecular dynamics simulations of shock-induced lattice rotation in three model crystals whose behavior has previously been characterized in dynamic-compression experiments: tantalum shocked along its [101] direction, and copper shocked along either [001] or [111]. We find that, in all three cases, the texture changes predicted by the simulations are consistent with those measured experimentally using in situ x-ray diffraction. We show that while tantalum loaded along [101] and copper loaded along [001] both show pronounced rotation due to asymmetric multiple slip, the orientation of copper shocked along [111] is predicted to be stabilized by opposing rotations arising from competing, symmetrically equivalent slip systems.Femtosecond Diffraction and Dynamic High Pressure Science
ArXiv 2203.02545 (2022)
Slip competition and rotation suppression in tantalum and copper during dynamic uniaxial compression
ArXiv 2202.08813 (2022)