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A Straightforward Approach for the Determination of the Maximum Time Step for the Simulation of Nanometric Metallic Systems

✍ Scribed by Villarreal, Marcos A.; Oviedo, Oscar A.; Leiva, Ezequiel P. M.

Book ID
115493980
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
324 KB
Volume
8
Category
Article
ISSN
1549-9618

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The paper presents a multi-index variable time step method for the integration of the equations of motion of constrained multibody systems in descriptor form. The basis of the method is the augmented Lagrangian formulation with projections in index-3 and index-1. The method takes advantage of the be