Shock-driven amorphization and melting in Fe2O3

Physical Review B (condensed matter and materials physics) American Physical Society 111:2 (2025) 24209

Authors:

Céline Crépisson, Alexis Amouretti, Marion Harmand, Chrystèle Sanloup, Patrick Heighway, Sam Azadi, David McGonegle, Thomas Campbell, Juan Pintor, David Alexander Chin, Ethan Smith, Linda Hansen, Alessandro Forte, Thomas Gawne, Hae Ja Lee, Bob Nagler, YuanFeng Shi, Guillaume Fiquet, François Guyot, Mikako Makita, Alessandra Benuzzi-Mounaix, Tommaso Vinci, Kohei Miyanishi, Norimasa Ozaki, Tatiana Pikuz, Hirotaka Nakamura, Keiichi Sueda, Toshinori Yabuuchi, Makina Yabashi, Justin S Wark, Danae N Polsin, Sam M Vinko

Abstract:

<jats:p>We present measurements on <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mrow><a:msub><a:mi>Fe</a:mi><a:mn>2</a:mn></a:msub><a:msub><a:mi mathvariant="normal">O</a:mi><a:mn>3</a:mn></a:msub></a:mrow></a:math> amorphization and melt under laser-driven shock compression up to 209(10) GPa via time-resolved x-ray diffraction. At 122(3) GPa, a diffuse signal is observed indicating the presence of a noncrystalline phase. Structure factors have been extracted up to 182(6) GPa showing the presence of two well-defined peaks. A rapid change in the intensity ratio of the two peaks is identified between 145(12) and 151(12) GPa, indicative of a phase change. The noncrystalline diffuse scattering is consistent with shock amorphization of <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"><c:mrow><c:msub><c:mi>Fe</c:mi><c:mn>2</c:mn></c:msub><c:msub><c:mi mathvariant="normal">O</c:mi><c:mn>3</c:mn></c:msub></c:mrow></c:math> between 122(3) and 145(12) GPa, followed by an amorphous-to-liquid transition above 151(12) GPa. Upon release, a noncrystalline phase is observed alongside crystalline <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"><e:mrow><e:mi>α</e:mi><e:mtext>−</e:mtext><e:msub><e:mi>Fe</e:mi><e:mn>2</e:mn></e:msub><e:msub><e:mi mathvariant="normal">O</e:mi><e:mn>3</e:mn></e:msub></e:mrow></e:math>. The extracted structure factor and pair distribution function of this release phase resemble those reported for <g:math xmlns:g="http://www.w3.org/1998/Math/MathML"><g:mrow><g:msub><g:mi>Fe</g:mi><g:mn>2</g:mn></g:msub><g:msub><g:mi mathvariant="normal">O</g:mi><g:mn>3</g:mn></g:msub></g:mrow></g:math> melt at ambient pressure.</jats:p> <jats:sec> <jats:title/> <jats:supplementary-material> <jats:permissions> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material> </jats:sec>

Ionization calculations using classical molecular dynamics

Physical Review E: Statistical, Nonlinear, and Soft Matter Physics American Physical Society 111 (2025) 015204

Authors:

Daniel Plummer, Pontus Svensson, Dirk Gericke, Patrick Hollebon, Sam Vinko, Gianluca Gregori

Abstract:

By performing an ensemble of molecular dynamics simulations, the model-dependent ionization state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimization framework based on the technique of thermodynamic integration. To illustrate the method, two simple models applicable to partially ionized hydrogen plasma are presented in which pair potentials are employed between ions and neutral particles. Within the models, electrons are either bound in the hydrogen ground state or distributed in a uniform charge-neutralizing background. Particular attention is given to the transition between atomic gas and ionized plasma, where the effect of neutral interactions is explored beyond commonly used models in the chemical picture. Furthermore, pressure ionization is observed when short-range repulsion effects are included between neutrals. The developed technique is general, and we discuss the applicability to a variety of molecular dynamics models for partially ionized warm dense matter.

Ionization calculations using classical molecular dynamics

PHYSICAL REVIEW E 111:1 (2025)

Authors:

Daniel Plummer, Pontus Svensson, Dirk O Gericke, Patrick Hollebon, Sam M Vinko, Gianluca Gregori

Numerical simulations of laser-driven experiments of ion acceleration in stochastic magnetic fields

Physics of Plasmas American Institute of Physics 31:12 (2024) 122105

Authors:

Kassie Moczulski, Thomas Campbell, Charles Arrowsmith, Archie Bott, Subir Sarkar, Alexander Schekochihin, Gianluca Gregori

Abstract:

We present numerical simulations used to interpret laser-driven plasma experiments at the GSI Helmholtz Centre for Heavy Ion Research. The mechanisms by which non-thermal particles are accelerated, in astrophysical environments e.g., the solar wind, supernova remnants, and gamma ray bursts, is a topic of intense study. When shocks are present the primary acceleration mechanism is believed to be first-order Fermi, which accelerates particles as they cross a shock. Second-order Fermi acceleration can also contribute, utilizing magnetic mirrors for particle energization. Despite this mechanism being less efficient, the ubiquity of magnetized turbulence in the universe necessitates its consideration. Another acceleration mechanism is the lower-hybrid drift instability, arising from gradients of both density and magnetic field, which produce lower-hybrid waves with an electric field which energizes particles as they cross these waves. With the combination of high-powered laser systems and particle accelerators it is possible to study the mechanisms behind cosmic-ray acceleration in the laboratory. In this work, we combine experimental results and high-fidelity threedimensional simulations to estimate the efficiency of ion acceleration in a weakly magnetized interaction region. We validate the FLASH MHD code with experimental results and use OSIRIS particle-in-cell (PIC) code to verify the initial formation of the interaction region, showing good agreement between codes and experimental results. We find that the plasma conditions in the experiment are conducive to the lower-hybrid drift instability, yielding an increase in energy ∆E of ∼ 264 keV for 242 MeV calcium ions.

Modelling of warm dense hydrogen via explicit real time electron dynamics: electron transport properties

Physical Review E American Physical Society 110 (2024) 055205

Authors:

Pontus Svensson, Patrick Hollebon, Daniel Plummer, Sam Vinko, Gianluca Gregori

Abstract:

We extract electron transport properties from atomistic simulations of a two-component plasma by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure is performed via Markov Chain Monte Carlo sampling over multiple spectra simultaneously. The free-electron dynamic structure factor and its properties have been investigated in the hydrodynamic formulation to justify its application to the long-wavelength behaviour of warm dense matter. We have applied this method to warm dense hydrogen modelled with wave packet molecular dynamics and showed that the inferred electron transport properties are in agreement with a variety of reference calculations, except for the electron viscosity, where a substantive decrease is observed when compared to classical models.