Effect of Twin Boundary Spacing on Deformation Behavior of Ni Nanowire: A Molecular Dynamics Study

Öz

Uniaxial tensile stress applied to metallic nanowires with periodically coherent twinned grain structures has significant effects on their mechanical behavior and deformation mechanisms. In this study, the deformation behavior of Ni nanowires with single crystal and different numbers of coherent twin grain structures was investigated using the Molecular Dynamics (MD) simulation method. It was determined that the twin boundary space caused changes in the modulus of elasticity and yield strength; however, the nanowires underwent plastic deformation with dislocation motion and deformation twinning. The Embedded Atom Method (EAM), which includes many-body interactions, was used to determine the interactions between atoms.

Anahtar Kelimeler

• Nanowire
• Twin Boundary Spacing
• Molecular Dynamics
• Stress-Strain

Ni Nano Telinin Deformasyon Davranışına İkiz Sınır Aralığının Etkisi: Moleküler Dinamik Çalışması

Öz

Periyodik olarak uyumlu ikizlenmiş tane yapılarına sahip metalik nano tellere uygulanan tek eksenli çekme zorlanması, onların mekanik davranışları ve deformasyon mekanizmaları üzerinde önemli etkiler oluşturmaktadır. Bu çalışmada tek kristal ve farklı sayıda birbiriyle uyumlu ikiz tane yapılarına sahip Nikel (Ni) nano tellerinin deformasyon davranışı Moleküler Dinamik (MD) benzetim yöntemi kullanılarak incelenmeye çalışıldı. İkiz sınır aralığının elastiklik modülü ve akma zorunda değişimler meydana getirdiği, bununla birlikte nano tellerin dislokasyon hareketi ve deformasyon ikizlenmesi ile plastik şekil değişimine uğradıkları belirlendi. Atomlar arası etkileşmelerin belirlenmesinde çok cisim etkileşmelerini içeren Gömülmüş Atom Metodu (GAM) kullanıldı.

Anahtar Kelimeler

• Nano Tel
• İkiz Sınır Aralığı
• Moleküler Dinamik
• Zor-Zorlanma

Kaynakça

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