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Arxiv / №2 · 2026 / Maqola
01.00.00 – FIZIKA-MATEMATIKA FANLARI

FULLEREN C60 MOLEKULASINING ALUMINIY AL(001) VA AL (111) SIRTLARDA ADSORBSIYASI JARAYONLARINI KOMPYUTERDA MODELLASHTIRISH HAMDA TAHLIL QILISH

Annotatsiya
O'ZBEKCHA

Fulleren molekulalarining metall tagliklarning turli kesimli sirtlarida adsorbsiyasi dunyo olimlari tomonidan eksperimental va nazariy jihatdan keng o‘rganilmoqda, jumladan, fulleren C60 molekulasining alyuminiy Al(001) va Al(111) sirtlarida adsorbsiyasi o‘zining istiqbolli amaliy ishlanma-larni va’da qilayotganligi sababli keng o‘rganilmoqda. Ushbu tadqiqot ishida C60 molekulasining alumi-niyning (001) va (111) kesimli yuzalarida adsorbsiyasi MD molekular dinamika usulida Tersoff atomlararo potensialidan foydalanib, LAMMPS paket dasturida modellashtirilgan holda nazariy tadqiq qilinib, ushbu jarayonda mazkur fulleren molekulasining pentagon va geksagon konfiguratsiyalar bilan adsorbsiyalanishi o‘rganilgan va ularga doir adsorbsiya energiyalari, Al-C bog‘lar uzunligi va bu bog‘larning tabiati haqida xulosalar qilingan.

Kalit so'zlar: fulleren, alyuminiy, taglik, adsorbsiya, bog‘ uzunligi, modellashdirish, potensial, kon-figuratsiya.
РУССКИЙ

Адсорбция молекул фуллерена на поверхностях металлических подложек с раз-личными кристаллографическими ориентациями широко изучается учёными всего мира как экс-периментально, так и теоретически. В частности, адсорбция молекулы фуллерена C₆₀ на поверх-ностях алюминия Al(001) и Al(111) интенсивно исследуется в связи с её перспективными практи-ческими приложениями.В данной работе адсорбция молекулы C₆₀ на поверхностях алюминия с ори-ентациями (001) и (111) теоретически исследована методом молекулярной динамики с использова-нием межатомного потенциала Терсоффа в программном пакете LAMMPS. В ходе данного про-цесса изучена адсорбция молекулы фуллерена в пентагональной и гексагональной конфигурациях, а также сделаны выводы относительно энергий адсорбции, длин связей Al–C и природы этих связей.

Ключевые слова: фуллерен, алюминий, основание, адсорбция, длина связи, моделирование, потенциал, конфигурация.
ENGLISH

The adsorption of fullerene molecules on metal substrates with different crystallo-graphic surface orientations is widely studied by researchers worldwide, both experimentally and theoretically. In particular, the adsorption of the C₆₀ fullerene molecule on aluminum Al(001) and Al(111) surfaces has been extensively investigated due to its promising potential for practical applications.In this study, the adsorption of the C₆₀ molecule on aluminum surfaces with (001) and (111) orientations is theoretically investigated using the molecular dynamics (MD) method. The simulations are carried out in the LAMMPS software package employing the Tersoff interatomic potential. During this process, the adsorption of the fullerene molecule in pentagonal and hexagonal configurations is analyzed, and conclusions are drawn regarding the adsorption energies, Al–C bond lengths, and the nature of these bonds.

Keywords: fullerene, aluminum, substrate, adsorption, bond length, modeling, potential, confi-guration.
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