Molecular dynamics study on glass and molten state of AgI-AgPO3
Molecular dynamics (MD) simulation on molten and glass state of AgI-AgPO3 have been performed to investigate the structural features and transport properties. In MD, the screened Born-Mayer type potentials including the effect of polarizability of ions have been used. The structure, conductivity, sh...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2017-01-01
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| Series: | EPJ Web of Conferences |
| Online Access: | https://doi.org/10.1051/epjconf/201715103005 |
| _version_ | 1819123894864314368 |
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| author | Matsunaga Shigeki |
| author_facet | Matsunaga Shigeki |
| author_sort | Matsunaga Shigeki |
| collection | DOAJ |
| description | Molecular dynamics (MD) simulation on molten and glass state of AgI-AgPO3 have been performed to investigate the structural features and transport properties. In MD, the screened Born-Mayer type potentials including the effect of polarizability of ions have been used. The structure, conductivity, shear viscosity, and Voronoi polyhedron are discussed in relation with the temperature change. |
| first_indexed | 2024-12-22T07:15:36Z |
| format | Article |
| id | doaj.art-9427343c955c4737a2f0de816cc959ee |
| institution | Directory Open Access Journal |
| issn | 2100-014X |
| language | English |
| last_indexed | 2024-12-22T07:15:36Z |
| publishDate | 2017-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | EPJ Web of Conferences |
| spelling | doaj.art-9427343c955c4737a2f0de816cc959ee2022-12-21T18:34:24ZengEDP SciencesEPJ Web of Conferences2100-014X2017-01-011510300510.1051/epjconf/201715103005epjconf_lam2017_03005Molecular dynamics study on glass and molten state of AgI-AgPO3Matsunaga ShigekiMolecular dynamics (MD) simulation on molten and glass state of AgI-AgPO3 have been performed to investigate the structural features and transport properties. In MD, the screened Born-Mayer type potentials including the effect of polarizability of ions have been used. The structure, conductivity, shear viscosity, and Voronoi polyhedron are discussed in relation with the temperature change.https://doi.org/10.1051/epjconf/201715103005 |
| spellingShingle | Matsunaga Shigeki Molecular dynamics study on glass and molten state of AgI-AgPO3 EPJ Web of Conferences |
| title | Molecular dynamics study on glass and molten state of AgI-AgPO3 |
| title_full | Molecular dynamics study on glass and molten state of AgI-AgPO3 |
| title_fullStr | Molecular dynamics study on glass and molten state of AgI-AgPO3 |
| title_full_unstemmed | Molecular dynamics study on glass and molten state of AgI-AgPO3 |
| title_short | Molecular dynamics study on glass and molten state of AgI-AgPO3 |
| title_sort | molecular dynamics study on glass and molten state of agi agpo3 |
| url | https://doi.org/10.1051/epjconf/201715103005 |
| work_keys_str_mv | AT matsunagashigeki moleculardynamicsstudyonglassandmoltenstateofagiagpo3 |