English

Ionic structure, Liquid-liquid phase transitions, X-Ray diffraction, and X-Ray Thomson scattering in shock compressed liquid Silicon in the 100-200 GPa regime

Materials Science 2024-12-12 v2 Plasma Physics

Abstract

Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure (PP), density (ρˉ\bar{\rho}) and temperature (TT) of shock compressed silicon in the 100 GPa range of pressures and upto \sim10,000K. We present first-principles calculations in this P,T,ρˉP,T,\bar{\rho} regime to reveal a plethora of novel liquid-liquid phase transitions (LPTs) identifiable via discontinuities in the pressure and the compressibility. Evidence for the presence of a highly-correlated liquid (CL) phase, as well as a normal-liquid (NL) phase at the LPTs is presented by a detailed study of one LPT. The LPTs make the interpretation of these experiments more challenging. The LPTs preserve the short-ranged ionic structure of the fluid by collective adjustments of many distant atoms when subject to compression and heating, with minimal change in the ion-ion pair-distribution functions, and in transport properties such as the electrical and thermal conductivities σ\sigma and κ\kappa. We match the experimental X-Ray Thomson scattering and X-ray diffraction data theoretically, and provide pressure isotherms, ionization data and compressibilities that support the above picture of liquid silicon as a highly complex LPT-driven ``glassy'' metallic liquid. These novel results are relevant to materials research, studies of planetary interiors, high-energy-density physics, and in laser-fusion studies.

Keywords

Cite

@article{arxiv.2408.04173,
  title  = {Ionic structure, Liquid-liquid phase transitions, X-Ray diffraction, and X-Ray Thomson scattering in shock compressed liquid Silicon in the 100-200 GPa regime},
  author = {M. W. C. Dharma-wardana and Dennis D. Klug and Hannah Poole and G. Gregori},
  journal= {arXiv preprint arXiv:2408.04173},
  year   = {2024}
}

Comments

8 pages, six figures