𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Estimating the critical time-step in explicit dynamics using the Lanczos method

✍ Scribed by J. R. Koteras; R. B. Lehoucq

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
103 KB
Volume
69
Category
Article
ISSN
0029-5981

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The goal of our paper is to demonstrate the cost‐effective use of the Lanczos method for estimating the critical time step in an explicit, transient dynamics code. The Lanczos method can provide a significantly larger estimate for the critical time‐step than an element‐based method (the typical scheme). However, the Lanczos method represents a more expensive method for calculating a critical time‐step than element‐based methods. Our paper shows how the additional cost of the Lanczos method can be amortized over a number of time steps and lead to an overall decrease in run‐time for an explicit, transient dynamics code. We present an adaptive hybrid scheme that synthesizes the Lanczos‐based and element‐based estimates and allows us to run near the critical time‐step estimate provided by the Lanczos method. Copyright © 2006 John Wiley & Sons, Ltd.

📜 SIMILAR VOLUMES

Computationally efficient canonical mole
Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method
✍ Kawata, Masaaki; Mikami, Masuhiro 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 545 KB

An efficient implementation of the canonical molecular dynamics simulation using the reversible reference system propagator algorithm (r-RESPA) combined with the particle mesh Ewald method (PMEM) and with the macroscopic expansion of the fast multipole method (MEFMM) was examined. The performance of