کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9582573 1505210 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Memory effects in Brownian dynamics simulations of ion transport
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Memory effects in Brownian dynamics simulations of ion transport
چکیده انگلیسی
Brownian dynamics simulations of ion transport are often carried out using the Langevin equation with the Markovian assumption for random forces. We investigate whether memory effects play any role in the ion transport processes by comparing the results of simulations obtained using the Langevin and generalized Langevin equations. As expected, the two methods yield similar transport coefficients in bulk simulations but differences appear when ions have to cross potential energy barriers.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 401, Issues 1–3, 1 January 2005, Pages 175-179
نویسندگان
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