Development of a semi-empirical potential energy function: Applications to microclusters
dc.contributor.advisor | Erkoç, Şakir | |
dc.contributor.author | El-Bayyari, Zuheir | |
dc.date.accessioned | 2020-12-10T12:08:01Z | |
dc.date.available | 2020-12-10T12:08:01Z | |
dc.date.submitted | 1987 | |
dc.date.issued | 2018-08-06 | |
dc.identifier.uri | https://acikbilim.yok.gov.tr/handle/20.500.12812/278116 | |
dc.description.abstract | ÖZET YARI-AMPÎRIK POTANSİYEL ENERJİ FONKSİYONU GELİŞTİRİLMESİ: MIKROKÜMELERE UYGULANMASI Zuheir EL-bayyari Yüksek Lisans, Fizik Tez Yöneticisi: Doç.Dr.Şakir ERKOÇ 198.7, 1,91 sayfa Çok-cisim etkileşmeleri malzeme biliminde önemlidir, îkili- ve üçlü- atom etkileşmelerini ihtiva eden bir potansiyel enerji fonksiyonu (PEF) geliştirilmiştir, iki atomlu molekül özellikleri kristal yapı özellikleri ve stabilite kriterinden faydalanarak PEF parametrize edilmiştir. Geliştirilen PEF kullanılarak mikro yapıdaki atom kümelerinin geometrisi ve enerjileri hesaplanmıştır. Uygulama olarak A£, Cu, Ni, Au, Fe ve Si ele alınmıştır. - iv - | |
dc.description.abstract | ABSTRACT DEVELOPMENT OF A SEMI - EMPIRICAL POTENTIAL ENERGY FUNCTION: APPLICATIONS TO MICROCLUSTERS Zuheir EL-bayyari M.S. in Physics Supervisor: Assoc. Prof.Dr.Şakir ERKOÇ 1987, 191 pages Many-body effects are essential for the description of atomic clusters for most real materials. We have developed a Potential Energy Function (PEF) which includes the many-body effect via a parameterized three-body term. Thus, the present (PEF) includes both two-, and three- body terms parameterized to fit cluster and bulk thermo dynamic data for their respective systems. using the definition of cohesive energy, stability condition for crystals, and the bulk modulus we solve for the PEF parameters, which are used in the cluster calculations, for binding energies and bond lengths. A parametrical analysis was performed to investigate the energetically most stable microcluster structures for different elements as A£, Cu, Ni, Au, Fe and Si composed of three and four atoms. - iii - | en_US |
dc.language | English | |
dc.language.iso | en | |
dc.rights | info:eu-repo/semantics/embargoedAccess | |
dc.rights | Attribution 4.0 United States | tr_TR |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.subject | Fizik ve Fizik Mühendisliği | tr_TR |
dc.subject | Physics and Physics Engineering | en_US |
dc.title | Development of a semi-empirical potential energy function: Applications to microclusters | |
dc.type | masterThesis | |
dc.date.updated | 2018-08-06 | |
dc.contributor.department | Diğer | |
dc.identifier.yokid | 2687 | |
dc.publisher.institute | Fen Bilimleri Enstitüsü | |
dc.publisher.university | ORTA DOĞU TEKNİK ÜNİVERSİTESİ | |
dc.identifier.thesisid | 2687 | |
dc.description.pages | 191 | |
dc.publisher.discipline | Diğer |