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Isıtma ve soğutma süreçlerinde vanadyumun mikro yapısal değişimleri ve soğutma hızının kristalizasyon süreci üzerine etkileri gömülü atom metodu kullanılarak moleküler dinamik benzetim yöntemi ile araştırıldı. Soğutma oranın etkisi sekiz farklı soğutma oranı (Q=0.05-10 K/ps) kullanılarak araştırıldı ve sonuçlar çiftler dağılım fonksiyonu, Honeycutt-Andersen ve Voronoi mozaikleme analiz yöntemleri kullanılarak analiz edildi ve ayrıntılı bir şekilde tartışıldı. Erime noktası civarında hesaplanan çiftler dağılım fonksiyonu ve yapı faktörünün deneysel sonuçlarla tutarlı olduğu gözlenmiştir. Daha yavaş soğutma oranları için kristalizasyon sıcaklığından başlayarak ideal bcc kristal yapıyı temsil eden 1441 ve 1661 bağlı çiftlerinin ve <0,6,0,8> kümelerinin ani ve bir o kadar keskin bir artışı izlenmiştir. Daha düşük sıcaklıklarda söz konusu bağlı çiftlerin ve kümelerin dağılımlarının ısıtma sürecinde elde edilen sonuçlarla neredeyse üst üste olduğu gözlenmiştir. Bu sonuçlar yavaş soğutma oranları için sistemin sıvı yapıdan ideal bcc kristal yapıya geçiş yaptığının açık delilidir. Sistem daha hızlı soğutulduğunda, bcc kümelerin yanı sıra başka kristal kümelerin de oluştuğu gözlenmiştir.
In heating and cooling processes, the micro-structure changes of vanadium and the effects of cooling speed on the crystallization process were studied using the embedded atomic method by using the molecular dynamic comparison method. The effect of the cooling rate was studied using eight different cooling rates (Q=0.05-10 K/ps) and the results were analyzed using the division function of couples, Honeycutt-Andersen and Voronoi mozaic analysis methods and discussed in detail. The couples calculated around the melting point have been observed that the distribution function and the structure factor are consistent with the experimental results. A sudden and so sharp increase was observed in the 1441 and 1661 attached couples and <0,6,0,8> sets, which represent the ideal bcc crystal structure, starting from the crystallization temperature for slower cooling rates. At lower temperatures, the distribution of the related couples and groups has been observed almost consistent with the results obtained during the heating process. These results are clear evidence that the system has passed from the liquid structure to the ideal bcc crystal structure for slow cooling rates. When the system cooled faster, it was observed that bcc sets were formed as well as other crystal sets.
The microstructural changes of vanadium in the heating and cooling processes and the effects of the cooling rate on the crystallization process were investigated by the molecular dynamics simulations method using the embedded atom method. The effect of the cooling rate was investigated using eight different cooling rates (Q=0.05-10 K/ps), and the results were analyzed and discussed in detail using the pair distribution function, Honeycutt-Andersen and Voronoi tessellation analysis methods. It was observed that the pair distribution function and structure factor calculated around the melting point were consistent with the experimental results. Starting from the crystallization temperature point for slower cooling rates, there was a sudden and sharp increase in the number of 1441 and 1661 bounded pairs and <0,6,0,8> clusters representing the ideal bcc crystal structure. It was observed that the distributions of these bonded pairs and clusters at lower temperatures were nearly overlapping with the results obtained during the heating process. These results are clear evidence that the system transition from liquid to ideal bcc crystal structure for slow cooling rates. When the system was cooled faster, it was observed that it formed in other crystal clusters besides bcc clusters.
Field : Fen Bilimleri ve Matematik
Journal Type : Uluslararası
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