تحلیل رفتار شکست پلی کریستال نیترید کربن به روش‌های الگوریتم ژنتیک و دینامیک مولکولی

علوم کاربردی و محاسباتی در مکانیک

مقالات آماده انتشار، پذیرفته شده، انتشار آنلاین از تاریخ 21 آبان 1402   

نوع مقاله: مقاله پژوهشی

شناسه دیجیتال (DOI): 10.22067/jacsm.2023.83323.1192

نویسندگان

مهدی بینقی¹؛ سعید رهنما^{* 1}؛ علی دادرسی²

¹گروه مکانیک، دانشکده مهندسی، دانشگاه بیرجند، بیرجند، ایران

²گروه مکانیک، دانشکده مهندسی، دانشگاه حکیم سبزواری، سبزوار

چکیده

کمانش غیرخطی ناشی از مرزدانه‌ها در ساختارهای دو بعدی و عیوب هندسی به عنوان عوامل اثرگذار بر رفتار شکست این ساختارها معرفی می‌شوند. از آنجایی که رفتار مکانیکی نانوساختارهای پلی‌کریستال به خوبی شناخته نشده است، در این مقاله، بررسی رفتار مکانیکی نانوصفحات نیترید کربن به عنوان تابعی از دما و مرزدانه مورد مطالعه قرار گرفت. عملکرد مکانیکی پلی کریستال نیترید کربن در حضور و عدم حضور ترک لبه‌ای و در دماهای 100 تا 900 کلوین مورد آزمایش قرار گرفت. از شبیه سازی دینامیک مولکولی به عنوان یک روش مقرون به صرفه برای مدلسازی صفحات دو بعدی با انتخاب تابع پتانسیل مناسب و شرایط مرزی استفاده شد. نتایج نشان داد که خواص مکانیکی مونوکریستال نیتزید کربن با افزایش دما کاهش یافت و نتایج در راستای زیگزاگ بالاتر از آرمچیر گزارش شد. همین روند برای ساختار پلی کریستال نیز مشاهده شد که با افزایش دما، مدول یانگ، تنش و کرنش شکست کاهش یافت. همچنین، افزایش طول ترک از 5 به 25 آنگستروم نیز سبب کاهش خواص مکانیکی شد. از سویی دیگر، افزایش تعداد ناحیه برای پلی کریستال نیترید کربن موجب کاهش تنش شکست گردید. علاوه بر این، بهینه سازی به روش الگوریتم ژنتیک صورت پذیرفت و نتایج نشان داد که مقدار بهینه‌ی مدول یانگ برای پلی کریستال نیترید کربن با 53 ناحیه در دمای 95/586 کلوین و طول ترک 52/6 آنگستروم، معادل 18/338 گیگاپاسکال است. نتایج بدست آمده از این مطالعه را می‌توان به موارد پیچیده‌تر تعمیم داد تا درک عمیق‌تری از نسل‌های بعدی ساختارهای دو بعدی را پیش بینی نماید.

کلیدواژه‌ها

نیترید کربن؛ خواص مکانیکی؛ شبیه سازی؛ پلی کریستال؛ الگوریتم ژنتیک؛ دینامیک مولکولی

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