اثر برهم‌کنش پلیمر و نانوحفره بر زمان عبور پلیمر از نانوحفره

عبدالوهاب, روح الله; نیکنام حمید آباد, محمد رضا

doi:10.22055/jrmbs.2020.15558

اثر برهم‌کنش پلیمر و نانوحفره بر زمان عبور پلیمر از نانوحفره

نوع مقاله : مقاله پژوهشی کامل

نویسندگان

دانشکده فیزیک، دانشگاه علم و صنعت ایران، تهران، ایران

10.22055/jrmbs.2020.15558

چکیده

در این مقاله، عبور با استفاده از نیروی وارد به پلیمر را با استفاده از نرم افزار دینامیک مولکولی LAMMPS به‌صورت 2بعدی را، شبیه‌سازی و به‌بررسی تأثیر برهم‌کنش پلیمر و دیوارة نانوحفره بر زمان عبور می‌‌پردازیم. این بررسی را برای نیروهای ضعیف و متوسط و برای قطرهای مختلف نانوحفره انجام می‌دهیم. این شبیه‌سازی با دو حالت متفاوت تعادلی و غیر تعادلی آغاز می‌شود. نتایج شبیه‌سازی‌ها نشان می‌دهد که در هر دو حالت تعادلی و غیر تعادلی، زمان عبور پلیمر همواره با افزایش انرژی چسبندگی و قطر نانوحفره افزایش می‌یابد. به‌‌علاوه نمای زمان عبور برحسب نیرو 9531_/0– به‌دست آمد که تطابق خوبی با نمونه‌های پیشین دارد.

کلیدواژه‌ها

20.1001.1.2322231.1399.10.4.12.4

موضوعات

ماده چگال

عنوان مقاله [English]

Effects of interaction between nanopore and polymer on translocation time

نویسندگان [English]

Rouhollah Abdolvahab
Mohammadreza Niknam Hamidabad

Department of Physics, Faculty of Science, Iran University of Science and Technology, Tehran, Iran

چکیده [English]

Here using LAMMPS molecular dynamics (MD) software, we simulate polymer translocation in 2 dimensions. We do the simulations for weak and moderate forces and different pore diameters. Our results show that in both non-equilibrium and equilibrium initial conditions, translocation time will always increase by increasing binding energy and or increasing pore diameter. Moreover, scaling exponent of time versus force is -0.9531 in accordance to our predecessors. The comparison between equilibrium and non- equilibrium initial condition shows that the translocation time is very sensitive to the initial condition. Translocation time of the relaxed polymers for interaction energy of 8𝑘𝐵 𝑇 is smaller from the non- equilibrium case even in the small energy of 1𝑘𝐵 𝑇. Moreover, our simulation results show that the translocation velocity decrease by increasing the nanopore diameter from 3𝜎 to 5𝜎, where 𝜎 is the size of a monomer.

کلیدواژه‌ها [English]

Polymer Translocation
Nanopore
Molecular Dynamic
Binding energy

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