تحلیل خواص مکانیکی نانوکامپوزیت آلومینیوم- گرافن با نقص جای خالی و حفره به روش دینامیک مولکولی

علوم کاربردی و محاسباتی در مکانیک

مقاله 3، دوره 36، شماره 3 - شماره پیاپی 37، شهریور 1403، صفحه 33-48   

نوع مقاله: مقاله پژوهشی

شناسه دیجیتال (DOI): 10.22067/jacsm.2024.84337.1206

نویسندگان

علی ابراهیمی؛ مسعود اجری^*

گروه مهندسی مکانیک، دانشکده فنی و مهندسی، دانشگاه محقق اردبیلی، ایران.

چکیده

مطالعه حاضر، خواص مکانیکی از جمله مدول یانگ و تنش استحکام کششی نانوکامپوزیت آلومینیوم تقویت شده با گرافین ناقص با نقص حفره و نقص جای‌خالی تحت کشش تک محوره با استفاده از شبیه‌‌سازی دینامیک مولکولی مورد بررسی قرار داده است. همچنین در این مطالعه اثر تعداد لایه‌های گرافن در درصد حجمی ثابت، بر روی رفتار مکانیکی نانوکامپوزیت نیز بررسی شده است. این شبیه‌سازی با کمک پکیج منبع باز لمپس با مدل سازی یک سیستم دوره‌ای با هنگرد NVE و NPT انجام گرفته و برای توصیف اندرکنش اتم‌های کربن و آلومینیوم به ترتیب از پتانسیل‌های AIREBO و MEAM و همچنین برای اندرکنش بین این اتم‌ها از پتانسیل لناردجونز استفاده شده است. نتایج بدست آمده نشان می‌دهند که افزودن تک لایه گرافین به ساختار آلومینیوم خالص باعث بهبود مدول یانگ و استحکام کششی آلومینیوم خالص به ترتیب به میزان ۲۲۰ و ۳۲۰ درصد شده است. علاوه بر این مشاهده می‌شود که اثر نقص جای‌خالی و نقص حفره بر روی مدول یانگ و استحکام کششی به‌صورت غیرخطی بوده و روند کاهشی دارد.

کلیدواژه‌ها

نانوکامپوزیت؛ خواص مکانیکی؛ دینامیک مولکولی؛ گرافن؛ نقص جای خالی

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