کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5374983 | 1504283 | 2010 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling](/preview/png/5374983.png)
چکیده انگلیسی
Depending on initial conditions, individual finite time trajectories of dynamical systems can have very different chaotic properties. Here we present a numerical method to identify trajectories with atypical chaoticity, pathways that are either more regular or more chaotic than average. The method is based on the definition of an ensemble of trajectories weighted according to their chaoticity, the Lyapunov weighted path ensemble. This ensemble of trajectories is sampled using algorithms borrowed from transition path sampling, a method originally developed to study rare transitions between long-lived states. We demonstrate our approach by applying it to several systems with numbers of degrees of freedom ranging from one to several hundred and in all cases the algorithm found rare pathways with atypical chaoticity. For a double well dimer embedded in a solvent, which can be viewed as simple model for an isomerizing molecule, rare reactive pathways were found for parameters strongly favoring chaotic dynamics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 375, Issues 2â3, 5 October 2010, Pages 309-315
Journal: Chemical Physics - Volume 375, Issues 2â3, 5 October 2010, Pages 309-315
نویسندگان
Philipp Geiger, Christoph Dellago,