NOYOB MIS METALL KLASTERLARINING GEOMETRIK TUZILISHINI KOMPYUTER EKSPERIMENTI ORQALI TADQIQ ETISH
Keywords:
Kalit so‘zlar: Kompyuter eksperimenti, molekulyar dinamika usuli, klaster, kam atomli klasterlar, past energiyali klasterlar.Abstract
Annotatsiya. Maqolada MD usuli yordamida kam energiyaga ega kichik neytral mis metall klasterlarining geometrik tuzilmalarini modellashtirish natijalari keltirilgan. Atomlararo o‘zaro ta’sir jarayonlarini hisoblash uchun EAM (Embedded-atom method) potentsialidan foydalanildi. Cun (n = 2-60) klasterlarining kompyuter modellari yaratildi. Cun (n = 2-60) klasterlarining geometrik shakllari o‘rganildi va strukturaviy parametrlar (Cu-Cu bog‘lanish masofasi) hisoblab chiqildi. MD tajribasida olingan natijalar haqiqiy tajribalarda olingan natijalar bilan solishtirildi.
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