Parallelization of a molecular dynamics simulation of an ion-surface collision

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dc.contributor.authorAtiş, Murat
dc.contributor.authorÖzdoğan, Cem
dc.contributor.authorGüvenç, Ziya B.
dc.date.accessioned2020-06-25T17:40:35Z
dc.date.available2020-06-25T17:40:35Z
dc.date.issued2005
dc.departmentKırıkkale Üniversitesi
dc.descriptionATIS, Murat/0000-0003-4429-6897; Ozdogan, Cem/0000-0002-9644-0013
dc.description.abstractParallel molecular dynamics simulation study of the ion-surface collision system is reported. A sequential molecular dynamics simulation program is converted into a parallel code utilizing the concept of parallel virtual machine (PVM). An effective and favorable algorithm is developed. Our parallelization of the algorithm shows that it is more efficient because of the optimal pair listing, linear scaling, and constant behavior of the internode communications. The code is tested in a distributed memory system consisting of a cluster of eight PCs that run under Linux (Debian 2.4.20 kernel). Our results on the collision system are discussed based on the speed up, efficiency and the system size. Furthermore, the code is used for a full simulation of the Ar-Ni(100) collision system and calculated physical quantities are presented.en_US
dc.identifier.citationclosedAccessen_US
dc.identifier.doi10.1142/S0129183105007649
dc.identifier.endpage990en_US
dc.identifier.issn0129-1831
dc.identifier.issue6en_US
dc.identifier.scopus2-s2.0-22944434872
dc.identifier.scopusqualityQ2
dc.identifier.startpage969en_US
dc.identifier.urihttps://doi.org/10.1142/S0129183105007649
dc.identifier.urihttps://hdl.handle.net/20.500.12587/3496
dc.identifier.volume16en_US
dc.identifier.wosWOS:000231155000011
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWorld Scientific Publ Co Pte Ltden_US
dc.relation.ispartofInternational Journal Of Modern Physics C
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectparallelen_US
dc.subjectmolecular dynamicsen_US
dc.subjectlinear scalingen_US
dc.subjection-surface collisionen_US
dc.subjectsputteringen_US
dc.subjectPVMen_US
dc.titleParallelization of a molecular dynamics simulation of an ion-surface collisionen_US
dc.typeArticle

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