Interionic potential for α-RbAg4I5-system at room temperature by molecular dynamics.
Saved in:
| Title: | Interionic potential for α-RbAg |
|---|---|
| Authors: | Burbano, J. C.1 (AUTHOR), Diosa, J. E.2,3 (AUTHOR), Peña Lara, D.2,3 (AUTHOR) diego.pena@correounivalle.edu.co |
| Source: | Molecular Simulation. Jun2019, Vol. 45 Issue 9, p724-727. 4p. |
| Subjects: | Statistical ensembles, Distribution (Probability theory), Space groups, Superionic conductors, Rubidium, Molecular dynamics |
| Abstract: | A rigid-ion empirical pairwise potential for RbAg I including Coulomb (long range), Born–Mayer (short range), charge–dipole and dipole–quadrupole (Van der Waals) interactions, has been tested by molecular dynamics simulation with a statistical ensemble where the number of particle, volume, and total energy are constant, non-pressure (P = 0), and as space group were used. Structural (radial, pair, distribution function) and dynamical behaviour (mean square function) of rubidium, iodines, and silvers were evaluated and compared to experimental data reported at room temperature. The potential parameters were taken from different works. [ABSTRACT FROM AUTHOR] |
| Copyright of Molecular Simulation is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 135801658 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Interionic potential for α-RbAg<subscript>4</subscript>I<subscript>5</subscript>-system at room temperature by molecular dynamics. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Burbano%2C+J%2E+C%2E%22">Burbano, J. C.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Diosa%2C+J%2E+E%2E%22">Diosa, J. E.</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Peña+Lara%2C+D%2E%22">Peña Lara, D.</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<i> diego.pena@correounivalle.edu.co</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Molecular+Simulation%22">Molecular Simulation</searchLink>. Jun2019, Vol. 45 Issue 9, p724-727. 4p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Statistical+ensembles%22">Statistical ensembles</searchLink><br /><searchLink fieldCode="DE" term="%22Distribution+%28Probability+theory%29%22">Distribution (Probability theory)</searchLink><br /><searchLink fieldCode="DE" term="%22Space+groups%22">Space groups</searchLink><br /><searchLink fieldCode="DE" term="%22Superionic+conductors%22">Superionic conductors</searchLink><br /><searchLink fieldCode="DE" term="%22Rubidium%22">Rubidium</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: A rigid-ion empirical pairwise potential for RbAg I including Coulomb (long range), Born–Mayer (short range), charge–dipole and dipole–quadrupole (Van der Waals) interactions, has been tested by molecular dynamics simulation with a statistical ensemble where the number of particle, volume, and total energy are constant, non-pressure (P = 0), and as space group were used. Structural (radial, pair, distribution function) and dynamical behaviour (mean square function) of rubidium, iodines, and silvers were evaluated and compared to experimental data reported at room temperature. The potential parameters were taken from different works. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Molecular Simulation is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=135801658 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1080/08927022.2019.1581938 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 4 StartPage: 724 Subjects: – SubjectFull: Statistical ensembles Type: general – SubjectFull: Distribution (Probability theory) Type: general – SubjectFull: Space groups Type: general – SubjectFull: Superionic conductors Type: general – SubjectFull: Rubidium Type: general – SubjectFull: Molecular dynamics Type: general Titles: – TitleFull: Interionic potential for α-RbAg4I5-system at room temperature by molecular dynamics. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Burbano, J. C. – PersonEntity: Name: NameFull: Diosa, J. E. – PersonEntity: Name: NameFull: Peña Lara, D. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 06 Text: Jun2019 Type: published Y: 2019 Identifiers: – Type: issn-print Value: 08927022 Numbering: – Type: volume Value: 45 – Type: issue Value: 9 Titles: – TitleFull: Molecular Simulation Type: main |
| ResultId | 1 |
