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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

Patrick Heighway

Postdoctoral Research Assistant

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
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  • 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

Link to Scilight

Metastability of diamond ramp-compressed to 2TPa

Nature Nature 589:2021 (2021) 532-535

Authors:

David McGonegle, Patrick Heighway, Justin Wark

Abstract:

Carbon is the fourth-most prevalent element in the Universe and essential for all known life. In the elemental form it is found in multiple allotropes, including graphite, diamond and fullerenes, and it has long been predicted that even more structures can exist at pressures greater than those at Earth’s core1,2,3. Several phases have been predicted to exist in the multi-terapascal regime, which is important for accurate modelling of the interiors of carbon-rich exoplanets4,5. By compressing solid carbon to 2 terapascals (20 million atmospheres; more than five times the pressure at Earth’s core) using ramp-shaped laser pulses and simultaneously measuring nanosecond-duration time-resolved X-ray diffraction, we found that solid carbon retains the diamond structure far beyond its regime of predicted stability. The results confirm predictions that the strength of the tetrahedral molecular orbital bonds in diamond persists under enormous pressure, resulting in large energy barriers that hinder conversion to more-stable high-pressure allotropes1,2, just as graphite formation from metastable diamond is kinetically hindered at atmospheric pressure. This work nearly doubles the highest pressure at which X-ray diffraction has been recorded on any material.
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Investigating off-Hugoniot states using multi-layer ring-up targets

Scientific Reports Springer Nature 10:1 (2020) 13172

Authors:

D McGonegle, Pg Heighway, M Sliwa, Ca Bolme, Aj Comley, Le Dresselhaus-Marais, A Higginbotham, Aj Poole, Ee McBride, B Nagler, I Nam, Mh Seaberg, Ba Remington, Re Rudd, Ce Wehrenberg, Js Wark

Abstract:

Laser compression has long been used as a method to study solids at high pressure. This is commonly achieved by sandwiching a sample between two diamond anvils and using a ramped laser pulse to slowly compress the sample, while keeping it cool enough to stay below the melt curve. We demonstrate a different approach, using a multilayer ‘ring-up’ target whereby laser-ablation pressure compresses Pb up to 150 GPa while keeping it solid, over two times as high in pressure than where it would shock melt on the Hugoniot. We find that the efficiency of this approach compares favourably with the commonly used diamond sandwich technique and could be important for new facilities located at XFELs and synchrotrons which often have higher repetition rate, lower energy lasers which limits the achievable pressures that can be reached.
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Recovery of a high-pressure phase formed under laser-driven compression

Physical Review B American Physical Society (APS) 102:2 (2020) 24101

Authors:

Mg Gorman, D McGonegle, Sj Tracy, Sm Clarke, Ca Bolme, Ae Gleason, Sj Ali, S Hok, Cw Greeff, Pg Heighway, K Hulpach, B Glam, E Galtier, Hj Lee, Js Wark, Jh Eggert, Jk Wicks, Rf Smith
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Non-isentropic release of a shocked solid

Physical Review Letters American Physical Society 123:24 (2019) 245501

Authors:

PG Heighway, M Sliwa, D McGonegle, C Wehrenberg, CA Bolme, J Eggert, A Higginbotham, A Lazicki, HJ Lee, B Nagler, H-S Park, RE Rudd, RF Smith, MJ Suggit, D Swift, F Tavella, BA Remington, Justin Wark

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.
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Molecular dynamics simulations of grain interactions in shock-compressed highly textured columnar nanocrystals

Physical Review Materials American Physical Society 3:8 (2019) 083602

Authors:

Patrick Heighway, F McGonegle, N Park, A Higginbotham, Justin Wark

Abstract:

While experimental and computational studies abound demonstrating the diverse range of phenomena caused by grain interactions under quasistatic loading conditions, far less attention has been given to these interactions under the comparatively dramatic conditions of shock compression. The consideration of grain interactions is essential within the context of contemporary shock-compression experiments that exploit the distinctive x-ray diffraction patterns of highly textured (and therefore strongly anisotropic) targets in order to interrogate local structural evolution. We present here a study of grain interaction effects in shock-compressed, body-centered cubic tantalum nanocrystals characterized by a columnar geometry and a strong fiber texture using large-scale molecular dynamics simulations. Our study reveals that contiguous grains deform cooperatively in directions perpendicular to the shock, driven by the gigapascal-scale stress gradients induced over their boundaries by the uniaxial compression, and in so doing are able to reach a state of reduced transverse shear stress. We compare the extent of this relaxation for two different columnar geometries (distinguished by their square or hexagonal cross-sections), and quantify the attendant change in the transverse elastic strains. We further show that cooperative deformation is able to replace ordinary plastic deformation mechanisms at lower shock pressures, and, under certain conditions, activate new mechanisms at higher pressures.
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