Fe ve Fe - %25 Al için maksimum stresslerin (hkl) düzlemlerinde teorik olarak hesaplanması

Hamza Yaşar Ocak, Ali Çetin, Gencer Sarıoğlu

Öz


Oda sıcaklığında Fe ve Fe-% 25 Al (Fe3Al) kristalleri bcc yapıda olup, deneysel örgü parametreleri (a0)  2.87 Å ve 2,8964 Å dur. İç etkileşme enerjileri birbirlerine çok yakın olan Fe ve Fe3Al kristallerinin, fiziksel özellikleri birçok yönden incelenmektedir. Temel fiziksel parametreler (hkl) kristal düzlemlerinde, farklı büyüklüklere sahiptir. Bu çalışmada, elastik parametrelerden, maksimum stressler (Thkl),   hem Fe hem de Fe3Al kristalleri için (hkl) düzlemlerinde incelendi. Bunun için, öncelikle Wien2k yöntemi kullanılarak ikinci derece elastik sabitler (C11, C12 ve C44) kübik simetri için hesaplandı. Kristallerin örgü parametreleri ve saçılma açıları (2θ) pik genişliklerini (βhkl) bulmak için kullanıldı. Düzlemlere göre hesaplanan bazı elastik parametreler, farklı denklemlerden hesaplanan sonuçlarla karşılaştırıldı. Kristal boyutlarına (Dhkl) bağlı olan dislokasyon yoğunluğunlukları (δhkl) da (hkl) düzlemlerinde incelendi. Elde edilen tüm sonuçlar, (hkl) düzlemleri ve bazı [hkl] doğrultularına göre yorumlanarak, yakın çalışma sonuçları ile karşılaştırıldı. Bu tarz analitik incelemelerin (222) düzlemine kadar genişletilmesinin yeterli olabileceği sonucuna ulaşıldı.


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