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Frank H Stillinger - One of the best experts on this subject based on the ideXlab platform.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract: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.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles ii applications to ellipses and ellipsoids
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract: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.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles i algorithmic details
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract:In this first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of non-spherical particles, within a parallelepiped simulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for Spheres, and is most efficient when applied to systems of particles with relatively small aspect ratios and with small variations in size. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using Bounding Sphere complexes (BSC). These techniques will be useful in any particle-based simulation, including Monte Carlo and time-driven molecular dynamics. Additionally, we allow for a non-vanishing rate of deformation of the boundary, which can be used to model macroscopic strain and also alleviate boundary effects for small systems. In the second part of this series of papers we specialize the algorithm to systems of ellipses and ellipsoids and present performance results for our implementation, demonstrating the practical utility of the algorithm.
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neighbor list collision driven molecular dynamics simulation for nonspherical particles i algorithmic details ii applications to ellipses and ellipsoids
arXiv: Computational Physics, 2004Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract:In the first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of nonspherical particles, within a parallelepiped simulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for Spheres. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using Bounding Sphere complexes (BSC). In the second part of this series of papers 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. 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.
Aleksandar Donev - One of the best experts on this subject based on the ideXlab platform.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract: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.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles ii applications to ellipses and ellipsoids
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract: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.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles i algorithmic details
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract:In this first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of non-spherical particles, within a parallelepiped simulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for Spheres, and is most efficient when applied to systems of particles with relatively small aspect ratios and with small variations in size. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using Bounding Sphere complexes (BSC). These techniques will be useful in any particle-based simulation, including Monte Carlo and time-driven molecular dynamics. Additionally, we allow for a non-vanishing rate of deformation of the boundary, which can be used to model macroscopic strain and also alleviate boundary effects for small systems. In the second part of this series of papers we specialize the algorithm to systems of ellipses and ellipsoids and present performance results for our implementation, demonstrating the practical utility of the algorithm.
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neighbor list collision driven molecular dynamics simulation for nonspherical particles i algorithmic details ii applications to ellipses and ellipsoids
arXiv: Computational Physics, 2004Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract:In the first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of nonspherical particles, within a parallelepiped simulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for Spheres. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using Bounding Sphere complexes (BSC). In the second part of this series of papers 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. 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.
Salvatore Torquato - One of the best experts on this subject based on the ideXlab platform.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract: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.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles ii applications to ellipses and ellipsoids
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract: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.
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neighbor list collision driven molecular dynamics simulation for nonspherical hard particles i algorithmic details
Journal of Computational Physics, 2005Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract:In this first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of non-spherical particles, within a parallelepiped simulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for Spheres, and is most efficient when applied to systems of particles with relatively small aspect ratios and with small variations in size. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using Bounding Sphere complexes (BSC). These techniques will be useful in any particle-based simulation, including Monte Carlo and time-driven molecular dynamics. Additionally, we allow for a non-vanishing rate of deformation of the boundary, which can be used to model macroscopic strain and also alleviate boundary effects for small systems. In the second part of this series of papers we specialize the algorithm to systems of ellipses and ellipsoids and present performance results for our implementation, demonstrating the practical utility of the algorithm.
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neighbor list collision driven molecular dynamics simulation for nonspherical particles i algorithmic details ii applications to ellipses and ellipsoids
arXiv: Computational Physics, 2004Co-Authors: Aleksandar Donev, Salvatore Torquato, Frank H StillingerAbstract:In the first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of nonspherical particles, within a parallelepiped simulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for Spheres. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using Bounding Sphere complexes (BSC). In the second part of this series of papers 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. 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.
Yuanchun Shi - One of the best experts on this subject based on the ideXlab platform.
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envelope parameter calculation of similarity indexing structure
Lecture Notes in Computer Science, 1998Co-Authors: Xuesheng Bai, Yuanchun ShiAbstract:Similarity Indexing is very important for content-based retrieval on large multimedia databases, and the “tightness” of data set envelope is a factor that influences the performance of index. For equidistant envelope (Bounding Sphere), calculation of envelope is somewhat difficult because of the complexity of direct computation in high dimension space. In this paper we summarize the envelope used in similarity indexing structures, and discuss the envelope parameter calculation problem. We improved the γ -spatial search algorithm proposed by R. Kuniawati and J.S.Jin for equidistant envelope parameter calculation, and apply it to various distance spaces. Basic thoughts and theorem are provided in the paper, also with algorithm implementation.
Dinesh K Pai - One of the best experts on this subject based on the ideXlab platform.
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bd tree output sensitive collision detection for reduced deformable models
International Conference on Computer Graphics and Interactive Techniques, 2004Co-Authors: Doug L James, Dinesh K PaiAbstract:We introduce the Bounded Deformation Tree, or BD-Tree, which can perform collision detection with reduced deformable models at costs comparable to collision detection with rigid objects. Reduced deformable models represent complex deformations as linear superpositions of arbitrary displacement fields, and are used in a variety of applications of interactive computer graphics. The BD-Tree is a Bounding Sphere hierarchy for output-sensitive collision detection with such models. Its Bounding Spheres can be updated after deformation in any order, and at a cost independent of the geometric complexity of the model; in fact the cost can be as low as one multiplication and addition per tested Sphere, and at most linear in the number of reduced deformation coordinates. We show that the BD-Tree is also extremely simple to implement, and performs well in practice for a variety of real-time and complex off-line deformable simulation examples.