Thermodynamic calculations for bcc sodium at high pressures
Molecular-dynamic calculations for bcc pseudopotential sodium are compared to experiment for the 300-K pressure-volume curve to 300 kbar, and for the adiabatic pressure derivative of temperature, and the Grueneisen parameter, to 32 kbar. This comparison supports both the pseudopotential model of sod...
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| Veröffentlicht in: | Phys. Rev. B: Condens. Matter; (United States) 1984-10, Vol.30 (7), p.3929-3932 |
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| container_end_page | 3932 |
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| container_issue | 7 |
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| container_title | Phys. Rev. B: Condens. Matter; (United States) |
| container_volume | 30 |
| creator | STRAUB, G. K WALLACE, D. C |
| description | Molecular-dynamic calculations for bcc pseudopotential sodium are compared to experiment for the 300-K pressure-volume curve to 300 kbar, and for the adiabatic pressure derivative of temperature, and the Grueneisen parameter, to 32 kbar. This comparison supports both the pseudopotential model of sodium, and the use of molecular dynamics to calculate anharmonic contributions to thermodynamic functions for crystals at high temperatures. |
| doi_str_mv | 10.1103/PhysRevB.30.3929 |
| format | Article |
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C</creatorcontrib><creatorcontrib>Los Alamos National Laboratory, Los Alamos, New Mexico 87545</creatorcontrib><title>Thermodynamic calculations for bcc sodium at high pressures</title><title>Phys. Rev. B: Condens. Matter; (United States)</title><description>Molecular-dynamic calculations for bcc pseudopotential sodium are compared to experiment for the 300-K pressure-volume curve to 300 kbar, and for the adiabatic pressure derivative of temperature, and the Grueneisen parameter, to 32 kbar. 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K</creator><creator>WALLACE, D. C</creator><general>American Physical Society</general><general>American Institute of Physics</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>19841001</creationdate><title>Thermodynamic calculations for bcc sodium at high pressures</title><author>STRAUB, G. K ; WALLACE, D. 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K</creatorcontrib><creatorcontrib>WALLACE, D. C</creatorcontrib><creatorcontrib>Los Alamos National Laboratory, Los Alamos, New Mexico 87545</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>Phys. Rev. B: Condens. Matter; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>STRAUB, G. K</au><au>WALLACE, D. C</au><aucorp>Los Alamos National Laboratory, Los Alamos, New Mexico 87545</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Thermodynamic calculations for bcc sodium at high pressures</atitle><jtitle>Phys. Rev. B: Condens. Matter; (United States)</jtitle><date>1984-10-01</date><risdate>1984</risdate><volume>30</volume><issue>7</issue><spage>3929</spage><epage>3932</epage><pages>3929-3932</pages><issn>0163-1829</issn><eissn>1095-3795</eissn><coden>PRBMDO</coden><abstract>Molecular-dynamic calculations for bcc pseudopotential sodium are compared to experiment for the 300-K pressure-volume curve to 300 kbar, and for the adiabatic pressure derivative of temperature, and the Grueneisen parameter, to 32 kbar. This comparison supports both the pseudopotential model of sodium, and the use of molecular dynamics to calculate anharmonic contributions to thermodynamic functions for crystals at high temperatures.</abstract><cop>Woodbury, NY</cop><pub>American Physical Society</pub><doi>10.1103/PhysRevB.30.3929</doi><tpages>4</tpages></addata></record> |
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| ispartof | Phys. Rev. B: Condens. Matter; (United States), 1984-10, Vol.30 (7), p.3929-3932 |
| issn | 0163-1829 1095-3795 |
| language | eng |
| recordid | cdi_crossref_primary_10_1103_PhysRevB_30_3929 |
| source | American Physical Society Journals |
| subjects | 360104 - Metals & Alloys- Physical Properties ADIABATIC PROCESSES ALKALI METALS ANHARMONIC CRYSTALS BCC LATTICES Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology CRYSTAL LATTICES CRYSTAL STRUCTURE CRYSTALS CUBIC LATTICES ELEMENTS Exact sciences and technology GRUENEISEN CONSTANT MATERIALS SCIENCE MEDIUM TEMPERATURE METALS Metals, semimetals and alloys Phase diagrams and microstructures developed by solidification and solid-solid phase transformations PHYSICAL PROPERTIES Physics SODIUM Specific materials Thermal properties of condensed matter Thermal properties of crystalline solids THERMODYNAMIC PROPERTIES VERY HIGH PRESSURE |
| title | Thermodynamic calculations for bcc sodium at high pressures |
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