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Thermophysical prop...
Thermophysical properties of helium and hydrogen mixtures under high pressure predicted by ab-initio calculations : Implications for Saturn and Jupiter planets
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- Zidane, Mustapha (author)
- Mohammed V Univ, Fac Sci, Dept Phys, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco.
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- Salmani, El Mehdi (author)
- Mohammed V Univ, Fac Sci, Dept Phys, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco.
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- Majumdar, Arnab (author)
- Uppsala universitet,Materialteori
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- Elmoulat, Meryem (author)
- Univ Mohammed 5, Fac Sci, Res Unit GeoRisk Geol Risks, Battouta Ave, Rabat 10140, Morocco.
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- Bghour, Mustapha (author)
- Hassan II Acad Sci & Technol, Rabat, Morocco.
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- Labrag, A. (author)
- Univ Ibn Zohr, Fac Sci, Res Team High Crit Temp Superconducting Mat, BP 8106, Agadir, Morocco.;Univ Ibn Zohr, Fac Appl Sci, Natl Rd 10 Cite Azrou, Ait Melloul, Morocco.
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- Ez-Zahraouy, Hamid (author)
- Mohammed V Univ, Fac Sci, Dept Phys, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco.
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- Benyoussef, Abdelilah (author)
- Mohammed V Univ, Fac Sci, Dept Phys, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco.;Hassan II Acad Sci & Technol, Rabat, Morocco.
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- Ahuja, Rajeev, 1965- (author)
- Uppsala universitet,KTH,Egenskaper,Uppsala Univ, Dept Phys & Astron, Mat Theory Div, SE-75121 Uppsala, Sweden.,Materialteori,Teoretisk fysik,Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden.
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Mohammed V Univ, Fac Sci, Dept Phys, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco Materialteori (creator_code:org_t)
- Elsevier BV, 2022
- 2022
- English.
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In: Chemical Physics. - : Elsevier BV. - 0301-0104 .- 1873-4421. ; 555, s. 111430-
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- The thermodynamic and physical properties of Helium (He) and Hydrogen (H) mixtures are crucial form an astrophysical perspective. Nowadays, it is well known that these two elements constitute roughly 95% of the matter in the solar system. The high-pressure equation of He state doped with H is calculated in the framework of density functional theory (DFT) for three crystallographic structures. Namely, the Body Centered Cubic (BCC), Face Centered Cubic (FCC), and hexagonal close packed (HCP) structures have been studied. The equations of state (EOS) are provided for the He0.90H0.10 and He0.70H0.30 mixtures and the energy of the same mixtures are calculated with the earlier structures. The band structure for pressures of 0, 75 and 150 GPa were estimated by our calculations for the presumed crystal structures in the case of pure He and He0.70H0.30 mixture for comparison. The k(x) - k(y) cuts of the Bloch Spectral Functions (BSF) are presented for the pure He and He0.70H0.30 mixture for the three structures to explore the impact of doping on electronic properties. In addition, electrical resistivity calculations of the mentioned structures were carried out for mixtures with 10, 15, 20 and 30% of H. At final stage, the enthalpy (Delta H) of these latest mixtures have been deduced for the three crystal structures.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Keyword
- KKR-CPA
- SPR-KKR
- GGA
- He-H
- High-pressure equation of state
- Bulk Modulus
- Band-structure
- Fermi Surface
- Electrical resistivity
- Enthalpy
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Zidane, Mustapha
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Salmani, El Mehd ...
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Majumdar, Arnab
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Elmoulat, Meryem
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Bghour, Mustapha
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Labrag, A.
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Ez-Zahraouy, Ham ...
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Benyoussef, Abde ...
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Ahuja, Rajeev, 1 ...
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Physical Chemist ...
- Articles in the publication
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Chemical Physics
- By the university
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Royal Institute of Technology
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Uppsala University