Investigation of the Crystallographic Orientation Dependence of the Bauschinger Effect in Pd Nanowire by Molecular Dynamics Simulation

Sefa Kazanç

Makale detayları

Investigation of the Crystallographic Orientation Dependence of the Bauschinger Effect in Pd Nanowire by Molecular Dynamics Simulation

Yazarlar:

Sefa Kazanç

Yayıncı:

Igdir University

Ana Başlıklar:

Yoğun Maddenin Yapısal Özellikleri

Dergi:

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.15 Issue 2, pp.479-492

Belge Tipi:

Makale

Yayın Tarihi:

1/2025

Belge Dili:

Türkçe

Document ID (Org No.):

2001345222

pISSN:

2536-4618

Anahtar kelimeler:

Özet:

 In this study, the Bauschringer Effect BE, which occurs as a result of tensile-compression deformation applied along a single axis direction to nanowire model systems formed by placing Pd atoms in the 100, 110 and 111 crystallographic directions was investigated using the Molecular Dynamics MD simulation method. The gradient of the Embedded Atom Method EAM potential function, which includes many-body interactions, was used to determine the forces between atoms. It was determined that there was an asymmetry between the stress-strain curves obtained along different crystallographic directions as a result of the applied tensile and compressive deformation process. The Bauschinger Effect BE that occurs as a result of loading tensile, unloading and reverse loading compression deformation processes applied to model nanowire systems at different pre-strain values after the yield stress value is exceeded was determined. The occurrence of reverse BE effect was detected in some crystallographic directions. Bauschinger Stress Parameter BSP was calculated to detect the effect of BE on Pd nanowires with different crystallographic orientations. Additionally, the total and Shockly dislocation densities resulting from deformation in the nanowire were calculated for different values of strain. It was observed for all crystallographic directions that dislocations increased during loading, decreased when the load was removed, and increased again upon reverse loading.

 In this study, the Bauschringer Effect BE, which occurs as a result of tensile-compression deformation applied along a single axis direction to nanowire model systems formed by placing Pd atoms in the 100, 110 and 111 crystallographic directions was investigated using the Molecular Dynamics MD simulation method. The gradient of the Embedded Atom Method EAM potential function, which includes many-body interactions, was used to determine the forces between atoms. It was determined that there was an asymmetry between the stress-strain curves obtained along different crystallographic directions as a result of the applied tensile and compressive deformation process. The Bauschinger Effect BE that occurs as a result of loading tensile, unloading and reverse loading compression deformation processes applied to model nanowire systems at different pre-strain values after the yield stress value is exceeded was determined. The occurrence of reverse BE effect was detected in some crystallographic directions. Bauschinger Stress Parameter BSP was calculated to detect the effect of BE on Pd nanowires with different crystallographic orientations. Additionally, the total and Shockly dislocation densities resulting from deformation in the nanowire were calculated for different values of strain. It was observed for all crystallographic directions that dislocations increased during loading, decreased when the load was removed, and increased again upon reverse loading.

 In this study, the Bauschringer Effect BE, which occurs as a result of tensile-compression deformation applied along a single axis direction to nanowire model systems formed by placing Pd atoms in the 100, 110 and 111 crystallographic directions was investigated using the Molecular Dynamics MD simulation method. The gradient of the Embedded Atom Method EAM potential function, which includes many-body interactions, was used to determine the forces between atoms. It was determined that there was an asymmetry between the stress-strain curves obtained along different crystallographic directions as a result of the applied tensile and compressive deformation process. The Bauschinger Effect BE that occurs as a result of loading tensile, unloading and reverse loading compression deformation processes applied to model nanowire systems at different pre-strain values after the yield stress value is exceeded was determined. The occurrence of reverse BE effect was detected in some crystallographic directions. Bauschinger Stress Parameter BSP was calculated to detect the effect of BE on Pd nanowires with different crystallographic orientations. Additionally, the total and Shockly dislocation densities resulting from deformation in the nanowire were calculated for different values of strain. It was observed for all crystallographic directions that dislocations increased during loading, decreased when the load was removed, and increased again upon reverse loading.

 Bu çalışmada, Pd atomlarının 100, 110 ve 111 kristalografik doğrultularına yerleştirilmesiyle oluşturulan nano tel model sistemlerine tek eksen doğrultusu boyunca uygulanan çekme-sıkıştırma deformasyonu sonucu oluşan Bauschringer Etkisi BE Moleküler Dinamik MD benzetim yöntemi kullanılarak incelendi. Atomlar arasındaki kuvvetlerin belirlenmesinde çok cisim etkileşmelerini içeren Gömülmüş Atom Metodu GAM potansiyel fonksiyonunun gradientinden yararlanıldı. Uygulanan çekme ve sıkıştırma deformasyon işlemi sonucu farklı kristalografik doğrultular boyunca elde edilen gerilim-gerinim eğrileri arasında bir asimetri olduğu tespit edildi. Model nano tel sistemlerine, akma gerilim değeri aşıldıktan sonra farklı ön-gerinim değerlerinde uygulanan yükleme çekme, yükün kaldırılması ve ters yükleme sıkıştırma deformasyon işlemi sonucu oluşan Bauschinger Etkisi BE belirlendi. Bazı kristalografik doğrultularda ters BE etkisinin oluşumu tespit edildi. Bauschinger Stress Parametresi BSP, BEnin farklı kristalografik yönelimlere sahip Pd nano telleri üzerindeki etkisini tespit etmek için hesaplandı. Ayrıca nano telde deformasyon sonucu oluşan toplam ve Shockly dislokasyon yoğunlukları gerinimin farklı değerleri için hesaplandı. Yükleme esnasında dislokasyonların arttığı, yük kaldırılırken azaldığı ve ters yükleme işleminde yeniden bir artış sergilediği bütün kristalografik doğrultular için gözlendi.

Makale detayları

Investigation of the Crystallographic Orientation Dependence of the Bauschinger Effect in Pd Nanowire by Molecular Dynamics Simulation

Yazarlar:

Sefa Kazanç

Yayıncı:

Igdir University

Ana Başlıklar:

Yoğun Maddenin Yapısal Özellikleri

Dergi:

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.15 Issue 2, pp.479-492

Belge Tipi:

Makale

Yayın Tarihi:

1/2025

Belge Dili:

Türkçe

Document ID (Org No.):

2001345222

pISSN:

2536-4618

Nanowire

Crystallographic orientation

Bauschinger effect

Molecular DynamicsNano tel

Kristalografik yönelim

Bauschinger etkisi

Moleküler dinamik

Sayı

Makale detayları

Yazarlar: Sefa Kazanç

Yayıncı: Igdir University

Ana Başlıklar: Yoğun Maddenin Yapısal Özellikleri

Dergi: Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.15 Issue 2, pp.479-492

Belge Tipi: Makale

Yayın Tarihi: 1/2025

Belge Dili: Türkçe

Document ID (Org No.): 2001345222

pISSN: 2536-4618

Sayı

Yazarlar:

Sefa Kazanç

Yayıncı:

Igdir University

Ana Başlıklar:

Yoğun Maddenin Yapısal Özellikleri

Dergi:

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.15 Issue 2, pp.479-492

Belge Tipi:

Makale

Yayın Tarihi:

1/2025

Belge Dili:

Türkçe

Document ID (Org No.):

2001345222

pISSN:

2536-4618