Pd-Au Alaşımında Au Atomunun Konsantrasyonunun Polyhedron Topakları Oluşumu Üzerine Etkisinin Moleküler Dinamik Yöntemle İncelenmesi

Year 2021, Volume: 10 Issue: 1, 9 - 15, 21.03.2021

Fatih Ahmet Çelik

https://doi.org/10.17798/bitlisfen.796308

Cited By: 1

Abstract

Bu çalışmada, silikonun farklı konsantrasyon oranları için Pd-Au düzenli alaşım sistemlerinin amorf fazda meydana gelen polyhedron türü topakların yapısal özellikleri Moleküler Dinamik (MD) benzetim yöntemi ile belirlendi. Atomlar arasındaki etkileşmeleri belirlemek için çok cisim etkileşmeleri temeline dayanan Gömülmüş Atom Metodu’nun Sutton-Chen (SC) potansiyel fonksiyonu kullanıldı. Sistemlerin farklı Au konsantrasyonu için amorf fazda meydana gelen polyhedron türü topaklar Honeycutt-Andersen (HA) yöntemi ile belirlenen bağlı çiftler ile elde edildi. Sonuç olarak, amorf fazda Pd10Au90 yapısının ideal icosahedral (icos) türü polyhedron topaklarının oluşumu bakımından en uygun yapı olduğu sonucuna varılmıştır.

Keywords

Moleküler Dinamik, Polyhedron topaklanma, Bağlı çiftler, Gömülmüş Atom Metodu

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