کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10356467 | 867791 | 2005 | 29 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی کامپیوتر
نرم افزارهای علوم کامپیوتر
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.](/preview/png/10356467.png)
چکیده انگلیسی
We apply the algorithm presented in the first part of this series of papers to systems of hard ellipses and ellipsoids. The theoretical machinery needed to treat such particles, including the overlap potentials, is developed in full detail. We describe an algorithm for predicting the time of collision for two moving ellipses or ellipsoids. We present performance results for our implementation of the algorithm, demonstrating that for dense systems of very aspherical ellipsoids the novel techniques of using neighbor lists and bounding sphere complexes, offer as much as two orders of magnitude improvement in efficiency over direct adaptations of traditional event-driven molecular dynamics algorithms. The practical utility of the algorithm is demonstrated by presenting several interesting physical applications, including the generation of jammed packings inside spherical containers, the study of contact force chains in jammed packings, and melting the densest-known equilibrium crystals of prolate spheroids.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 202, Issue 2, 20 January 2005, Pages 765-793
Journal: Journal of Computational Physics - Volume 202, Issue 2, 20 January 2005, Pages 765-793
نویسندگان
Aleksandar Donev, Salvatore Torquato, Frank H. Stillinger,