بررسی تاثیر عیوب هندسی و تغییرات دما بر رفتار شکست ساختار مونوکریستال کاربید بور به روش دینامیک مولکولی

نوع مقاله : مقاله پژوهشی

نویسندگان

1 گروه مهندسی مکانیک، دانشکده فنی و مهندسی، دانشگاه دامغان، دامغان، ایران

2 استادیار، مهندسی مکانیک، دانشگاه آزاد شاهرود، شاهرود، ایران

چکیده

کاربید بور (BC3) یکی از مواد دو بعدی نوظهور می‌باشد که خواص شیمیایی، مکانیکی و حرارتی منحصر به فردی را به نمایش گذاشته است. در این مقاله، خواص مکانیکی ساختار کاربید بور با بهره‌گیری از شبیه‌سازی دینامیک مولکولی مورد بررسی قرار گرفت. با استفاده از پتانسیل ترسوف و شرایط مرزی دوره-ای، دو المان جایگاه نقص دایروی و تغییرات دما بر ساختار کاربید بور مورد تجزیه و تحلیل قرار گرفتند. نتایج بدست آمده از شبیه سازی تست کشش بر ساختار کاربید بور نشان داد، کمترین مقدار مدول یانگ و نیز تنش و کرنش در نقطه‌ی شکست در نمونه دارای نقص در مرکز ساختار اتفاق افتاد. همچنین با تغییرجایگاه نقص به سمت لبه‌ها، خواص مکانیکی افزایش یافت. با تغییر جایگاه نقص از مرکز ساختار به لبه‌ها، مقادیر مدول یانگ، تنش و کرنش در نقطه‌ی شکست در راستای زیگزاگ به ترتیب 29/1%، 1/15% و 20% افزایش یافت. بررسی تغییرات دما از 100 کلوین تا 1000 کلوین نشان داد که افزایش دما باعث کاهش خواص مکانیکی شد، به طوری‌که مقدار مدول یانگ از 21/781 گیگاپاسکال در دمای 100 کلوین به 19/616 گیگاپاسکال در دمای 1000 کلوین کاهش یافت. همچنین، مقدار تنش و کرنش در نقطه‌ی شکست برای تغییرات دمای ذکر شده نسبت به دمای 100 کلوین به ترتیب 43/05% و 51/08% کاهش یافت.

کلیدواژه‌ها

موضوعات

عنوان مقاله [English]

Investigation of the Effect of Geometric Defects and Temperature Changes on the Fracture Behavior of Boron Carbide Monocrystalline Structure by Molecular Dynamics

نویسندگان [English]

  • Alireza Albooyeh 1
  • Ali Dadrasi 2
  • Mohammadamin Razavikia 1
1 Mechanical Engineering,, Damghan University, Damghan, Iran
2 Assistant Professor, Mechanical Engineering,, Azad Shahrood University, Shahrood, Iran
چکیده [English]

Boron carbid (BC3) is a new two-dimensonal structure that exhibits unique chemical, thermal and mechanical peroperties. In this paper the mechanical properties of BC3 structure were investigated by using of molecular dynamics simulation. By using of Tressof potential and periodic boundry conditions, two elements of circular defect and followed temperature changes on BC3 structure were analyzed. The results of tensile test on boron carbide structure showed that the lowest young’s modulus as well as the failure stress and strain at the breaking point occurred in sample with central defect. Also, by changing the position of the defect towards the edges, the mechanical properties increased. By changing the position of the defect from the center of the structure to the edges, the values of young's modulus, stress and strain at the breaking point in th zigzag direction increased by 1.29%, 15.1% and 20%, respectively. Examination of temperature changes from 100K to 1000K showed that the increase in temperature reduced the mechanical properties, so that the value of the young's modulus decreased from 781.21 GPa at 100K to 616.19 GPa at 1000K. Also, the amount of stress and strain at the breaking point for the mentioned temperature compared to 100 K decreased by 43.05% and 51.08%, respectively.

کلیدواژه‌ها [English]

  • Molecular dynamics
  • Mechanical properties
  • Simulation
  • boron carbid
  • Defect

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