Theoretical prediction of pressure-dependent Elastic, Ultrasonic properties, and Thermo-physical properties of Zinc Metal

Öz

This research uses the Lennard-Jones potential model to study the mechanical, thermodynamic, and elastic properties of zinc metal when pressure is applied between 0 and 120 GPa. The obtained elastic properties and mechanical properties agreed with the further theoretical consequences. The evaluated mechanical properties show that Zn metal is mechanically stable, and elastic constants increase up to 60 GPa. An investigation of the elastic modulus indicates that Zn metal possesses a large shear modulus, bulk modulus, and Young’s modulus. The better mechanical properties classify that metal as a likely candidate for a superhard metal at high pressure. As a result of evaluating the B/G and Poisson’s ratio, it is predicted that Zn metal possesses brittle behavior from the 0 to 120 GPa pressure range, and the pressure increases can reduce its brittleness. Finally, the thermal properties, including heat capacity per unit volume (CV) and ΘD (Debye temperature), are obtained under a 0-120 GPa pressure range. The pressure-dependent ultrasonic velocities and attenuation of this metal, Zn, have been evaluated. This zinc metal exhibits its purest form at higher pressures, and its lowest attenuation indicates its ductility.

Anahtar Kelimeler

• Zinc; Elastic properties
• Mechanical properties
• Ultrasonic properties
• Thermal properties

Çinko Metalinin basınca bağlı Elastik, Ultrasonik ve Termo-fiziksel özelliklerinin teorik tahmini

Öz

Bu araştırma, 0 ile 120 GPa arasında basınç uygulandığında çinko metalinin mekanik, termodinamik ve elastik özelliklerini incelemek için Lennard-Jones potansiyel modelini kullanmaktadır. Elde edilen elastik özellikler ve mekanik özellikler, diğer teorik sonuçlarla uyuşmaktadır. Değerlendirilen mekanik özellikler, Zn metalinin mekanik olarak kararlı olduğunu ve elastik sabitlerinin 60 GPa'ya kadar arttığını göstermektedir. Elastik modülünün incelenmesi, Zn metalinin büyük bir kayma modülüne, hacim modülüne ve Young modülüne sahip olduğunu göstermektedir. Daha iyi mekanik özellikler, bu metali yüksek basınçta süper sert bir metal için olası bir aday olarak sınıflandırır. B/G ve Poisson oranının değerlendirilmesi sonucunda, Zn metalinin 0 ila 120 GPa basınç aralığında kırılgan davranışa sahip olduğu ve basınç artışlarının kırılganlığını azaltabileceği öngörülmektedir. Son olarak, birim hacim başına ısı kapasitesi (CV) ve ΘD (Debye sıcaklığı) dahil olmak üzere termal özellikler, 0-120 GPa basınç aralığında elde edilmektedir. Bu metalin, Zn, basınca bağlı ultrasonik hızları ve zayıflaması değerlendirilmiştir. Bu çinko metali, en saf halini daha yüksek basınçlarda sergiler ve en düşük zayıflaması, sünekliğini gösterir.

Anahtar Kelimeler

• Çinko;
• Elastik özellikler
• Mekanik özellikler
• Ultrasonik özellikler
• Termal özellikler

Kaynakça

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