ANALYSIS OF NUMERICAL-METHODS FOR USE IN MOLECULAR-DYNAMICS CALCULATIONS APPLIED TO CRYSTALLINE LATTICES

Authors
MAZZONE AM
Citation
Am. Mazzone, ANALYSIS OF NUMERICAL-METHODS FOR USE IN MOLECULAR-DYNAMICS CALCULATIONS APPLIED TO CRYSTALLINE LATTICES, International journal of modern physics C, 5(3), 1994, pp. 489-502
Citations number
15
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
International journal of modern physics C → ACNP
ISSN journal
01291831
Volume
5
Issue
3
Year of publication
1994
Pages
489 - 502
Database
ISI
SICI code
0129-1831(1994)5:3<489:AONFUI>2.0.ZU;2-V
Abstract
This work analyzes stability and accuracy of standard numerical method s applied to molecular dynamics simulations which generate configurati ons in the microcanonical and in the canonical ensembles. Numerical te sting has been made on crystalline lattices of metallic and semiconduc ting type (Ag, Fe, and Si, respectively).