بررسی خواص مکانیکی گرافن‌های مارپیچ چندلایه با مشخصات هندسی متفاوت با استفاده از شبیه‌سازی دینامیک مولکولی

نوع مقاله : مقاله پژوهشی

نویسندگان

1 استادیار، مهندسی مکانیک، دانشگاه امام حسین (ع)، نهران

2 کارشناس ارشد، مهدسیمکانیک، دانشگاه تهران

3 دانشجو کارشناسی ارشد، مهندسی مکانیک، دانشگاه تهران، تهران

چکیده

گرافن مارپیچ از‌جمله ساختارهای مارپیچی‌شکل دست‌ساز بشر است که اخیراً با پیشرفت نانوتکنولوژی و با الهام از طبیعت ایجاد شده است. در این تحقیق به بررسی خواص مکانیکی گرافن‌های مارپیچ چندلایه با مشخصات هندسی متفاوت با استفاده از روش دینامیک مولکولی پرداخته می‌شود و ارتباط بین تعداد لایه‌ها، مشخصات هندسی و خواص مکانیکی نانوذرات بررسی می‌شود. نتایج نشان داده‌اند که ویژگی‌های هندسی منحصر به‌فرد این نانوذرات موجب بروز خواص مکانیکی جالبی می‌شود که به‌شدت به ساختار ‌‌آن‌ها وابسته است. به‌گونه‌ای که با افزایش تعداد لایه‌ها متناسب با مشخصه‌های هندسی نانوذرات، مراحل رفتار کششی ‌‌آن‌ها تغییر می‌کند. ازجمله مهم‌ترین ویژگی‌های این نانوذرات کش‌پذیری شدید ‌‌آن‌ها حتی برای برخی نمونه‌ها تا حدود ۳۰۰۰٪ است که با افزوده‌شدن یک‌لایه به ساختار ‌‌آن‌ها به‌شدت کاهش می‌یابد. همچنین، نتایج بیانگر افزایش شدید نیرو در محدوده کرنشی کوچک، همزمان با شروع فرآیند کشش هستند که به‌دلیل نیروهای واندروالس قوی بین‌لایه‌ها است. ثابت فنر برای این نانوذرات در این ناحیه اولیه آزمون کشش محاسبه شده است و با افزوده‌شدن لایه‌ها مقدار آن کاهش می‌یابد. شناسایی خواص گرافن‌های مارپیچ چندلایه می‌تواند منجربه افزایش کارایی ‌‌آن‌ها و عملکرد بهینه‌شان در ادوات نانومقیاس و حتی بهبود کارایی‌های چندمقیاسی‌شان شود.

کلیدواژه‌ها

موضوعات


عنوان مقاله [English]

Investigation of the mechanical properties of multilayer graphene helicoids with different geometric characteristics using molecular dynamics simulation

نویسندگان [English]

  • amin najafi 1
  • Seyedmahdi Taheri 2
  • reza basafa 3
1 Department of Mechanical engineering, Emam Hossein university, Tehran, Iran.
2 Department of Mechanical Engineering, Tehran University, Iran
3 Department of Mechanical Engineering, Tehran University, Tehran, Iran
چکیده [English]

Graphene helicoid is a man-made spiral structure that has recently been created with the advent of nanotechnology inspired by nature. In this study, the mechanical properties of multi-layer graphene helicoid with different geometric characteristics are studied using molecular dynamics simulation and the relationship between several layers, geometric properties, and mechanical properties of nanoparticles are investigated. The results show that the unique geometric properties of these nanoparticles produce interesting mechanical properties that are highly dependent on their structure. The stages of the tensile behavior of these nanoparticles are altered by increasing the number of layers corresponding to the geometric characteristics of the nanoparticles. One of the most important characteristics of these nanoparticles is their high stretchability, even for some specimens, up to 3000%, which, with the addition of a layer to their structure, decreases sharply. The results also indicate a strong increase in force in the small strain range with the onset of the stretching process due to the strong Van der Waals forces between the adjacent layers. The spring constant for these nanoparticles is calculated in this initial area of the tensile test and, decreases with the addition of the layers. Identifying the properties of multilayered graphene helicoid can lead to an increase in their efficiency and their optimal performance in nanoscale devices and even improve multiscale performance.

کلیدواژه‌ها [English]

  • Mechanical Properties
  • Multilayer Graphene Helicoid
  • Molecular Dynamic Simulation
  • Geometric dependent properties
  • spiral nanostructures
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