Metalik kurşun nanokristallerin termal, yapısal ve dinamik özelliklerinin moleküler dinamik benzetişimiyle incelenmesi
Küçük Resim Yok
Tarih
2024
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Trakya Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Nanobilim ve nanoteknolojinin gelişmesinde önemli rolü olan metalik nanokristaller, yüzey etkilerinden dolayı yığın (bulk) malzemelere göre, yüksek termal ve elektriksel iletkenlik, optik geçirgenlik, yüksek esneklik ve dayanım gibi pek çok eşsiz fiziksel ve kimyasal özelliklere sahiptir. Yeni nano teknolojik cihazların geliştirilmesi ve üretimi için özellikle nanokristallerin termal, mekanik ve elektronik özelliklerinin iyi bir şekilde anlaşılması gerekmektedir. Ayrıca, nanokristalin ebadına, şekline ve boyutuna bağlı olarak termal ve mekanik özelliklerinin karakterizasyonu öne sürülen teorik önermelerin geçerliliğinin anlaşılması için de önemli bir dayanaktır. Nanokristallerin termal, mekanik, optik ve elektronik özellikleri üzerine deneysel yöntemlerle yapılmış pek çok çalışma olmasına rağmen deneysel teknikler sıcaklık ve basınç gibi dış etkiler altında nano-yapıların atomik yapısal ve dinamik özelliklerini açıklamada oldukça sınırlıdır. Teorik alanda ise, bilgisayar teknolojisinin ve hesaplama yöntemlerinin hızlı gelişimi ile özellikle de moleküler dinamik benzetişim tekniği, deney ortamında kontrol edilemeyecek pek çok dış etkeni kolaylıkla ele alarak nanokristallerin erime mekanizmasını anlamada zengin bir analiz imkânı sunar. Bu çalışmada, kurşun metalik nanokristallerin termal, yapısal ve dinamik özellikleri üzerinde nano-yapının ebat, şekil ve boyut etkileri geniş sıcaklık ölçeğinde moleküler dinamik benzetişim tekniği kullanılarak araştırıldı. Ayrıca, bu etkilerin kurşun nanokristallerin erime mekanizması üzerindeki rolleri belirlendi.
Metallic nanocrystals, which have an important role in the development of nanoscience and nanotechnology, have many unique physical and chemical properties such as high thermal and electrical conductivity, optical transmittance, high flexibility and strength compared to bulk materials due to their surface effects. For the development and production of new nano technological devices, it is necessary to have a good understanding of the thermal, mechanical and electronic properties of nanocrystals. In addition, the characterization of the thermal and mechanical properties of the nanocrystal depending on its size, shape and size is an important basis for understanding the validity of the theoretical propositions put forward. Although there are many studies conducted with experimental methods on the thermal, mechanical, optical and electronic properties of nanocrystals, experimental techniques are very limited in explaining the atomic structural and dynamic properties of nanostructures under external effects such as temperature and pressure. In the theoretical field, with the rapid development of computer technology and calculation methods, especially molecular dynamics simulation technique, it offers a rich analysis opportunity to understand the melting mechanism of nanocrystals by easily handling many external factors that cannot be controlled in the experimental environment. In this study, the effects of size, shape, and size of the nanostructure on the thermal, structural, and dynamic properties of lead metallic nanocrystals were investigated using the molecular dynamics simulation technique on a wide temperature scale. In addition, the roles of these effects on the melting mechanism of lead nanocrystals were also determined.
Metallic nanocrystals, which have an important role in the development of nanoscience and nanotechnology, have many unique physical and chemical properties such as high thermal and electrical conductivity, optical transmittance, high flexibility and strength compared to bulk materials due to their surface effects. For the development and production of new nano technological devices, it is necessary to have a good understanding of the thermal, mechanical and electronic properties of nanocrystals. In addition, the characterization of the thermal and mechanical properties of the nanocrystal depending on its size, shape and size is an important basis for understanding the validity of the theoretical propositions put forward. Although there are many studies conducted with experimental methods on the thermal, mechanical, optical and electronic properties of nanocrystals, experimental techniques are very limited in explaining the atomic structural and dynamic properties of nanostructures under external effects such as temperature and pressure. In the theoretical field, with the rapid development of computer technology and calculation methods, especially molecular dynamics simulation technique, it offers a rich analysis opportunity to understand the melting mechanism of nanocrystals by easily handling many external factors that cannot be controlled in the experimental environment. In this study, the effects of size, shape, and size of the nanostructure on the thermal, structural, and dynamic properties of lead metallic nanocrystals were investigated using the molecular dynamics simulation technique on a wide temperature scale. In addition, the roles of these effects on the melting mechanism of lead nanocrystals were also determined.
Açıklama
Yüksek Lisans
Anahtar Kelimeler
Fizik ve Fizik Mühendisliği, Physics and Physics Engineering
