| dc.contributor.author | Akgenç, Berna | |
| dc.contributor.author | Akdere, Ü. | |
| dc.contributor.author | Günay, S. D | |
| dc.contributor.author | Taşseven, C. | |
| dc.date | 2014-07-21 | |
| dc.date.accessioned | 2014-07-21T11:56:38Z | |
| dc.date.available | 2014-07-21T11:56:38Z | |
| dc.date.issued | 2013 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.11857/151 | |
| dc.description.abstract | Transition to fast-ion conducting phase and liquid phase of SrCl2 was investigated the molecular dynamics simulation in constant pressure-temperature ensemble (NPT) and hypernetted-chain theory using the fully ionic rigid ion potential widely exist in literature. Both, the redig transition and melting temperatures were over estimated. Results suggest that a new pair potential is needed to model the interactions in SrCl2 | |
| dc.language.iso | eng | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | Molecular dynamics | |
| dc.subject | NPT ensemble | |
| dc.subject | SrCl2 | |
| dc.subject | hypernetted-chain | |
| dc.title | NPT simulation and hypernetted-chain calculations of SrCl 2 | |
| dc.type | article | |
| dc.department | Fakülteler, Fen-Edebiyat Fakültesi, Fizik Bölümü | |
| dc.relation.publicationcategory | [Belirlenecek] | |
