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بررسی دینامیک مولکولی خواص مکانیکی ژرمانیوم تقویت شده با نانوذره آهن در سرعت های مختلف | ||
| مدل سازی در مهندسی | ||
| دوره 22، شماره 79، دی 1403، صفحه 109-119 اصل مقاله (1.11 M) | ||
| نوع مقاله: مقاله مکانیک | ||
| شناسه دیجیتال (DOI): 10.22075/jme.2024.32444.2568 | ||
| نویسندگان | ||
| مجید صمدیان؛ مسعود اجری* | ||
| مهندسی مکانیک، دانشکده فنی و مهندسی، دانشگاه محقق اردبیلی، اردبیل، ایران | ||
| تاریخ دریافت: 04 آذر 1402، تاریخ بازنگری: 28 فروردین 1403، تاریخ پذیرش: 25 اردیبهشت 1403 | ||
| چکیده | ||
| با توجه به کاربرد وسیع ژرمانیوم در دستگاههای نانو و چگالی بالای آن نسبت به سیلیکون و احتمال دررفتگی و انتشار آن در مرز دانه‌ها، بهبود خواص آن از اهمیت بالایی برخوردار است. در این مطالعه به کمک روش دینامیک مولکولی در مقیاس بزرگ، بهبود خواص مکانیکی ژرمانیوم با استفاده از عبور دادن ذرات کروی شکل آهن بر روی آن مورد مطالعه قرار گرفته است. در این شبیهسازی نیروهای بین‌اتمی برای ژرمانیوم به‌صورت TERSOFF و آهن به‌صورت EAM و اندرکنشهای بین آنها با پتانسیل LJ تعریف شده است. پس از متعادلسازی سیستم در هنگرد NPT و حرکت نانوذره آهن با سرعتهای متفاوت تست کشش با نرخ کرنش 0.01 1/psانجام شده است. نتایج نشان میدهند که برهمکنش واندروالس بین ژرمانیوم و ذرات آهن ایجاد شده است. این برهمکنش‌ها باعث محکم‌تر شدن پیوندهای بین‌اتمی ژرمانیوم شده و مدول یانگ و تنش حد نهایی ژرمانیوم به 119 و 24 گیگا پاسکال رسیده که به ترتیب 10 و 9 درصد نسبت به ژرمانیوم خالص بهبود داشته است. همچنین با افزایش سرعت نانو ذرات آهن تا سرعت 0.005 آنگستروم بر پیکوثانیه جاذبه اتمی بیشتر شده و این پدیده باعث استحکام مکانیکی بیشتر در ساختار پایه میشود. | ||
| کلیدواژه‌ها | ||
| ژرمانیوم تقویت‌شده؛ نانوذره آهن؛ خواص مکانیکی؛ دینامیک مولکولی | ||
| عنوان مقاله [English] | ||
| Molecular Dynamics Investigation of the Mechanical Properties of Germanium Reinforced with Iron Nanoparticles at Different Speeds | ||
| نویسندگان [English] | ||
| Majid Samadiyan؛ Masoud Ajri | ||
| Department of Mechanical Engineering, University of Mohaghegh Ardabili, Ardabil, Iran | ||
| چکیده [English] | ||
| Considering the wide application of germanium in nano devices and its high density compared to silicon and the possibility of its dislocation and diffusion in grain boundaries, improving its properties is of great importance. In this study, with the help of large-scale molecular dynamics method, improving the mechanical properties of germanium by passing spherical iron particles on it has been studied. In this simulation, the interatomic forces for germanium are defined as TERSOFF and for iron as EAM and the interactions between them are defined with the LJ potential. After balancing the system in the NPT ring and moving the iron nanoparticle at different speeds, a tensile test was performed with a strain rate of 0.01 1/ps. The results show that the van der Waals interaction between germanium and iron particles has been established. These interactions made the bonds between the atoms of germanium stronger, and the Young's modulus and ultimate stress of germanium reached 119 and 24 GPa, which were 10 and 9% better than pure germanium, respectively. Furthermore, by increasing the speed of iron nanoparticles up to the speed of 0.005 Angstroms per picosecond, the atomic attraction increases and this phenomenon causes more mechanical strength in the basic structure. | ||
| کلیدواژه‌ها [English] | ||
| Reinforced germanium, Iron nanoparticles, Mechanical properties, Molecular dynamics | ||
| مراجع | ||
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