Kompyuter eksperimenti orqali kam atomli mis klasterlarining geometrik tuzilishini o‘rganish
Keywords:
Mis klasterlar, Molekulyar Dynamika, Embedded-atom method, Kam atomli, past energiyaAbstract
Ushbu ishda biz kompyuter eksperimenti orqali MD (molekulyar dinamika) usuli yordamida past energiyaga ega kichik neytral mis klasterlarining geometrik tuzilishini o‘rgandik. Klasterlardagi atomlararo o‘zaro ta’sir jarayonlarini hisoblashda EAM (Embedded-atom method) potensialidan foydalandik. Cun (n = 2-13) klasterlarining kompyuter modeli yaratildi. Cu2, Cu3, Cu4, Cu5, Cu6, Cu7, Cu8, Cu9, Cu10, Cu11, Cu12 va Cu13 klasterlarining geometrik shakllari oʻrganilib, strukturaviy parametrlari (Cu-Cu bogʻlanish masofasi ya’ni klasterlardagi bog‘ uzunliklari) hisoblab chiqilgan. Kompyuter eksperimentida olingan natijalar eksperimental tadqiqot natijalari bilan solishtirildi.
References
Rasulov A.M., Ibroximov N.I. (2019). Clusters Deposition on Surface an Atomic Scale Study by Computer Simulation Method. Journal of App. Math. And Phys., 7, 2303-2314.
Böyükata M., Belchior J.C. (2008). Structural and energetic analysis of copper clusters: MD study of Cun (n = 2-45). J. Braz. Chem. Soc., Vol. 19, No. 5, 884-893.
Talizin I.V. (2019). Molekulyarno-dinamicheskoe issledovanie termodinamicheskix i kineticheskix aspektov plavleniya i kristallizatsii metallicheskix nanochastits. S.36-39.
Allen M.P., Tildesley D.J. (2017). Computer Simulation of Liquids. Published to Oxford Scholarship, S. 78-82.
Murray S. Daw., Baskes M.I. (1984). Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. J. Phy. Rev., Vol 29, No 12, 6443-6453.
Bogatikov Е.V., Bityutskaya L.A., Shebanov A.N. (2013). Modelirovanie nanoklasterov metodom molekulyarnoy dinamiki. Izdatelsko-poligraficheskiy tsentr Voronejskogo gosudarstvennogo universiteta, S.10-24.
Michael P. Allen. (2004). Introduction to Molecular Dynamics Simulation. Computational Soft Matter, John von Neumann Institute for Computing, NIC series Vol. 23, pp. 1-28.
Jug K., Zimmermann B. (2002). Structure and stability of small copper clusters. J. Chem. Phy., Vol 116, No 11.
Kabir M., Mookerjee A., Bhattacharya A.K. (2004). Copper clusters: electronic effect dominates over geometric effect. Eur. Phys. J. D 31, 477-485.
Li Ch.G., Shen Zi.G., Hu Y.F., Tang Ya.N., Chen W.G., Ren B.Z. (2017). Insights into the structures and electronic properties of Cun+1μ and CunSμ (n=1-12; μ=0, ±1) clusters. Scientific Reports 7 (1).
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Copyright (c) 2023 Nodirbek Ibrohimov, Akbarali Rasulov, Farrux Muxtarov
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