arXiv subjects

D. McGonegle

Publications and source records attributed to D. McGonegle.

7 recordsLinked to original sources

arXiv2026

Nanosecond timescale plasticity in shock-compressed polycrystalline MgO: evidence for transition in mechanism above 100 GPa

The mechanical properties of ceramics under extreme conditions directly impact applications ranging from shielding spacecrafts, designing plasma facing materials in nuclear fusion to understanding the rheology of deep planetary interiors. Here, we use polycrystalline MgO as a model ceramic to understand the high-pressure-temperature mechanical behaviour of such materials under extreme strain rates. We use laser-driven shock compression up to 175(15) GPa on the principal Hugoniot along with ultrafast diagnostics at the European X-ray Free Electron Laser to probe the dominant deformation mechanisms with changing P -T conditions. These near-instantaneous time-resolved snapshots, coupled with elasto-viscoplastic self-consistent (EVPSC) simulations, strongly suggest that MgO attains plastic regime in the nanoseconds scale accompanied by a pressure-mediated change in dominant slip system between 95 and 175 GPa. This work provides a new direct window into the deformation dynamics of polycrystalline ceramics under high-velocity impacts.

cond-mat.mtrl-sci↗

arXiv2026

Volume Collapse Without a Structural Transition in Shock-Compressed FeO

We report x-ray diffraction and emission spectroscopy of FeO under laser-driven shock compression between 31-199 GPa. FeO retains the B1 (rocksalt) structure along the Hugoniot to the melt boundary at 191 GPa. While the phase and volume are broadly consistent with results from static compression, we observe an anomalous 7-10% volume collapse around 60 GPa absent in static experiments. We identify this as an isostructural high-spin to low-spin metallic transition in FeO. The low-spin state is directly evidenced by x-ray emission spectroscopy at 180 GPa.

cond-mat.mtrl-sci↗

arXiv2025

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren. We compare the predictions of our model with femtosecond x-ray diffraction patterns obtained from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density (HED) instrument of the European X-Ray Free-Electron Laser (EuXFEL), and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show that: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

physics.app-ph↗

arXiv2025

Femtosecond temperature measurements of laser-shocked copper deduced from the intensity of the x-ray thermal diffuse scattering

We present 50-fs, single-shot measurements of the x-ray thermal diffuse scattering (TDS) from copper foils that have been shocked via nanosecond laser-ablation up to pressures above 135~GPa. We hence deduce the x-ray Debye-Waller (DW) factor, providing a temperature measurement. The targets were laser-shocked with the DiPOLE 100-X laser at the High Energy Density (HED) endstation of the European X-ray Free-Electron Laser (EuXFEL). Single x-ray pulses, with a photon energy of 18 keV, were scattered from the samples and recorded on Varex detectors. Despite the targets being highly textured (as evinced by large variations in the elastic scattering), and with such texture changing upon compression, the absolute intensity of the azimuthally averaged inelastic TDS between the Bragg peaks is largely insensitive to these changes, and, allowing for both Compton scattering and the low-level scattering from a sacrificial ablator layer, provides a reliable measurement of $T/Θ_D^2$, where $Θ_D$ is the Debye temperature. We compare our results with the predictions of the SESAME 3336 and LEOS 290 equations of state for copper, and find good agreement within experimental errors. We thus demonstrate that single-shot temperature measurements of dynamically compressed materials can be made via thermal diffuse scattering of XFEL radation.

cond-mat.mtrl-sci↗

arXiv2024

Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced $α\toω$ phase transition

The prototypical $α\toω$ phase transition in zirconium is an ideal test-bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is realized via one of two distinct displacive mechanisms, depending on the nature of the compression path. However, recent dynamic-compression experiments equipped with in situ diffraction diagnostics performed in the past few years have revealed new transition mechanisms, demonstrating that our understanding of the underlying atomistic dynamics and transition kinetics is in fact far from complete. We present classical molecular dynamics simulations of the $α\toω$ phase transition in single-crystal zirconium shock-compressed along the [0001] axis using a machine-learning-class potential. The transition is predicted to proceed primarily via a modified version of the two-stage Usikov-Zilberstein mechanism, whereby the high-pressure $ω$-phase heterogeneously nucleates at boundaries between grains of an intermediate $β$-phase. We further observe the fomentation of atomistic disorder at the junctions between $β$ grains, leading to the formation of highly defective interstitial material between the $ω$ grains. We directly compare synthetic x-ray diffraction patterns generated from our simulations with those obtained using femtosecond diffraction in recent dynamic-compression experiments, and show that the simulations produce the same unique, anisotropic diffuse scattering signal unlike any previously seen from an elemental metal. Our simulations suggest that the diffuse signal arises from a combination of thermal diffuse scattering, nanoparticle-like scattering from residual kinetically stabilized $α$ and $β$ grains, and scattering from interstitial defective structures.

cond-mat.mtrl-sci↗

arXiv2024

Phase transitions of Fe$_2$O$_3$ under laser shock compression

We present in-situ x-ray diffraction and velocity measurements of Fe$_2$O$_3$ under laser shock compression at pressures between 38-116 GPa. None of the phases reported by static compression studies were observed. Instead, we observed an isostructural phase transition from $α$-Fe$_2$O$_3$ to a new $α^\prime$-Fe$_2$O$_3$ phase at a pressure of 50-62 GPa. The $α^\prime$-Fe$_2$O$_3$ phase differs from $α$-Fe$_2$O$_3$ by an 11% volume drop and a different unit cell compressibility. We further observed a two-wave structure in the velocity profile, which can be related to an intermediate regime where both $α$ and $α^\prime$ phases coexist. Density functional theory calculations with a Hubbard parameter indicate that the observed unit cell volume drop can be associated with a spin transition following a magnetic collapse.

cond-mat.mtrl-sci↗

arXiv2021

Crystal plasticity finite element simulation of lattice rotation and x-ray diffraction during laser shock-compression of Tantalum

Wehrenberg et. al. [Nature 550 496 (2017)] used ultrafast in situ x-ray diffraction at the LCLS x-ray free-electron laser facility to measure large lattice rotations resulting from slip and deformation twinning in shock-compressed laser-driven [110] fibre textured tantalum polycrystal. We employ a crystal plasticity finite element method model, with slip kinetics based closely on the isotropic dislocation-based Livermore Multiscale Model [Barton et. al., J. Appl. Phys. 109 (2011)], to analyse this experiment. We elucidate the link between the degree of lattice rotation and the kinetics of plasticity, demonstrating that a transition occurs at shock pressures of $\sim$27 GPa, between a regime of relatively slow kinetics, resulting in a balanced pattern of slip system activation and therefore relatively small net lattice rotation, and a regime of fast kinetics, due to the onset of nucleation, resulting in a lop-sided pattern of deformation-system activation and therefore large net lattice rotations. We demonstrate a good fit between this model and experimental x-ray diffraction data of lattice rotation, and show that this data is constraining of deformation kinetics.

cond-mat.mtrl-sci↗