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
Recent cutting-edge experiments have provided in situ structure characterization and measurements of the pressure (P), density (¯ρ) and temperature (T) of shock compressed silicon in the 100 GPa range of pressures and up to ∼10,000K. We present first-principles calculations in this P, T, ρ¯ regime t...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
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American Physical Society
2025
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| _version_ | 1824459131534180352 |
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| author | Dharma-wardana, MWC Klug, DD Poole, H Gregori, G |
| author_facet | Dharma-wardana, MWC Klug, DD Poole, H Gregori, G |
| author_sort | Dharma-wardana, MWC |
| collection | OXFORD |
| description | Recent cutting-edge experiments have provided in situ structure characterization and measurements of the pressure (P), density (¯ρ) and temperature (T) of shock compressed silicon in the 100 GPa range of pressures and up to ∼10,000K. We present first-principles calculations in this P, T, ρ¯ 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. |
| first_indexed | 2025-02-19T04:36:55Z |
| format | Journal article |
| id | oxford-uuid:cb436c3e-9436-404b-9dd3-fe3b0154b9ad |
| institution | University of Oxford |
| language | English |
| last_indexed | 2025-02-19T04:36:55Z |
| publishDate | 2025 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | oxford-uuid:cb436c3e-9436-404b-9dd3-fe3b0154b9ad2025-01-30T11:56:12ZIonic structure, liquid-liquid phase transitions, x-ray diffraction, and x-ray Thomson scattering in shock-compressed liquid silicon in the 100-200 GPa regimeJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:cb436c3e-9436-404b-9dd3-fe3b0154b9adEnglishSymplectic ElementsAmerican Physical Society2025Dharma-wardana, MWCKlug, DDPoole, HGregori, GRecent cutting-edge experiments have provided in situ structure characterization and measurements of the pressure (P), density (¯ρ) and temperature (T) of shock compressed silicon in the 100 GPa range of pressures and up to ∼10,000K. We present first-principles calculations in this P, T, ρ¯ 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. |
| spellingShingle | Dharma-wardana, MWC Klug, DD Poole, H Gregori, G 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 |
| 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
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