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Stacking faults in shock-compressed copper

Shock-induced stacking faults in dynamically compressed copper modelled using large-scale molecular dynamics simulations

Dr Patrick Heighway

Postdoctoral Research Assistant in High Energy Density Science

Research theme

  • Lasers and high energy density science

Sub department

  • Atomic and Laser Physics

Research groups

  • Oxford Centre for High Energy Density Science (OxCHEDS)
patrick.heighway@physics.ox.ac.uk
Clarendon Laboratory, room Simon
  • About
  • Publications

Featured Work

Molecular dynamics simulation of double-slip in a bcc crystal
Giving the slip to a metal deformation mystery

A kinematic model uses X-ray diffraction patterns to identify active slip systems during the dynamic compression of metals

High pressure phase transition and strength estimate in polycrystalline alumina during laser-driven shock compression

Journal of Physics: Condensed Matter IOP Publishing 35:9 (2022)

Authors:

Anirudh Hari, Rohit Hari, Patrick G Heighway, Raymond F Smith, Thomas S Duffy, Melissa Sims, Saransh Singh, Dayne E Fratanduono, Cynthia A Bolme, Arianna E Gleason, Federica Coppari, Hae Ja Lee, Eduardo Granados, Philip Heimann, Jon H Eggert, June K Wicks

Abstract:

Alumina (Al2O3) is an important ceramic material notable for its compressive strength and hardness. It represents one of the major oxide components of the Earth's mantle. Static compression experiments have reported evidence for phase transformations from the trigonal α-corundum phase to the orthorhombic Rh2O3(II)-type structure at ∼90 GPa, and then to the post-perovskite structure at ∼130 GPa, but these phases have yet to be directly observed under shock compression. In this work, we describe laser-driven shock compression experiments on polycrystalline alumina conducted at the Matter in Extreme Conditions endstation of the Linac Coherent Light Source. Ultrafast x-ray pulses (50 fs, 1012 photons/pulse) were used to probe the atomic-level response at different times during shock propagation and subsequent pressure release. At 107 ± 8 GPa on the Hugoniot, we observe diffraction peaks that match the orthorhombic Rh2O3(II) phase with a density of 5.16 ± 0.03 g cm−3. Upon unloading, the material transforms back to the α-corundum structure. Upon release to ambient pressure, densities are lower than predicted assuming isentropic release, indicating additional lattice expansion due to plastic work heating. Using temperature values calculated from density measurements, we provide an estimate of alumina's strength on release from shock compression.

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 Springer Nature 605:7909 (2022) e1-e1

Authors:

A Lazicki, D McGonegle, JR Rygg, DG Braun, DC Swift, MG Gorman, RF Smith, PG Heighway, A Higginbotham, MJ Suggit, DE Fratanduono, F Coppari, CE Wehrenberg, RG Kraus, D Erskine, JV Bernier, JM McNaney, RE Rudd, GW Collins, JH Eggert, JS Wark

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.

Slip competition and rotation suppression in tantalum and copper during dynamic uniaxial compression

(2022)

Authors:

Patrick G Heighway, Justin S Wark

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