Boşluk ve Arayer Kusurlarının Cu Nano Telinin Mekanik Özelliklerine Etkisi: Moleküler Dinamik Çalışması

Year 2023, , 615 - 624, 01.09.2023

Sefa Kazanç , Canan Aksu Canbay

https://doi.org/10.35234/fumbd.1269801

Abstract

Bu çalışmada farklı yüzdelerde boşluk ve arayer kusuru içeren Cu nano tellerine uygulanan tek eksenli çekme zorlanması sonucu mekanik özelliklerde meydana gelen değişimler Moleküler Dinamik (MD) benzetim yöntemiyle incelendi. Cu atomlarına etki eden kuvvetlerin belirlenmesinde çok cisim etkileşmelerini içeren Gömülmüş Atom Metodu (GAM) potansiyel fonksiyonundan yararlanıldı. Noktasal kusurların yoğunluğuna bağlı olarak, Cu model nano teline uygulanan tek eksenli çekme zorlanması sonucu zor-zorlanma eğrileri, Young modülü, akma zorlanması değerleri belirlendi. Uygulanan deformasyon sonucu oluşan yapısal değişimler, dislokasyon oluşumları ve yayılımları sırasıyla genel komşu analiz yönetmi (CNA) ve dislokasyon analizi (DXA) ile incelendi. Çekme zorlanması sonucu oluşan hcp birim hücreli yığılım kusurları ve Shockley dislokasyonlarının model nano telin mekanik özellikleri üzerinde etkili olduğu belirlendi.

Keywords

Noktasal kusurlar, zor-zorlanma, moleküler dinamik, nano tel

Supporting Institution

YOK

The Effect of Vacancy and Intersititial Defects on Mechanical Properties of Cu Nanowire: Study of Molecular Dynamics

Abstract

In this study, changes in mechanical properties as a result of uniaxial tensile strain applied to Cu nanowires containing different percentages of vacancy and interstitial defects were investigated by Molecular Dynamics (MD) simulation method. The Embedded Atom Method (EAM) potential function, which includes many-body interactions, was used to determine the forces acting on Cu atoms. Depending on the density of the point defects, the stress-strain curves, Young's modulus, yield stress values were determined as a result of the uniaxial tensile stress applied to the Cu model nanowire. Structural changes, dislocation formations and their spread resulting from the applied deformation were examined by common neighbour analysis method (CNA) and dislocation analysis (DXA), respectively. It was determined that hcp unit cell stacking fault defects and Shockley dislocations caused by tensile strain were effective on the mechanical properties of the model nanowire.

Keywords

Point defects, stress-strain, molecular dynamics, nanowire

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