کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4967877 1449387 2016 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Meaningful timescales from Monte Carlo simulations of particle systems with hard-core interactions
ترجمه فارسی عنوان
زمانبندی معنی دار از شبیه سازی مونت کارلو از سیستمهای ذرات با تداخل سختی هسته
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی کامپیوتر نرم افزارهای علوم کامپیوتر
چکیده انگلیسی
A new Markov Chain Monte Carlo method for simulating the dynamics of particle systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is associated with minima in the energy landscape, in the proposed method, the state of the system is associated with the set of paths traveled by the atoms and the transition probabilities for an atom to be displaced are proportional to the corresponding velocities. In this way, the number of possible state-to-state transitions is reduced to a discrete set, and a direct link between the Monte Carlo time step and true physical time is naturally established. The resulting rejection-free algorithm is validated against event-driven molecular dynamics: the equilibrium and non-equilibrium dynamics of hard disks converge to the exact results with decreasing displacement size.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 326, 1 December 2016, Pages 773-779
نویسندگان
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