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

Fuente: arXiv
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Autores principales: Dharma-wardana, M. W. C., Klug, Dennis D., Poole, Hannah, Gregori, G.
Formato: Preprint
Publicado: 2024
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author Dharma-wardana, M. W. C.
Klug, Dennis D.
Poole, Hannah
Gregori, G.
author_facet Dharma-wardana, M. W. C.
Klug, Dennis D.
Poole, Hannah
Gregori, G.
contents Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure ($P$), density ($\barρ$) and temperature ($T$) of shock compressed silicon in the 100 GPa range of pressures and upto $\sim$10,000K. We present first-principles calculations in this $P,T,\barρ$ 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 $σ$ and $κ$. 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.
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spellingShingle 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
Dharma-wardana, M. W. C.
Klug, Dennis D.
Poole, Hannah
Gregori, G.
Materials Science
Plasma Physics
Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure ($P$), density ($\barρ$) and temperature ($T$) of shock compressed silicon in the 100 GPa range of pressures and upto $\sim$10,000K. We present first-principles calculations in this $P,T,\barρ$ 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 $σ$ and $κ$. 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.
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
topic Materials Science
Plasma Physics
url https://arxiv.org/abs/2408.04173