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(Reference retrieved automatically from SciELO through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Gradient pattern analysis of structural dynamics: application to molecular system relaxation

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Author(s):
Reinaldo R. Rosa [1] ; Marcia R. Campos [2] ; Fernando M. Ramos [3] ; Nandamudi L. Vijaykumar [4] ; Susumu Fujiwara [5] ; Tetsuya Sato [6]
Total Authors: 6
Affiliation:
[1] National Institute for Space Research. Laboratory for Computing and Applied Mathematics. Analysis of Complex Systems - Brasil
[2] National Institute for Space Research. Laboratory for Computing and Applied Mathematics. Analysis of Complex Systems - Brasil
[3] National Institute for Space Research. Laboratory for Computing and Applied Mathematics. Analysis of Complex Systems - Brasil
[4] National Institute for Space Research. Laboratory for Computing and Applied Mathematics. Analysis of Complex Systems - Brasil
[5] Institute of Technology. Faculty of Textile Science Kyoto. Department of Polymer Science - Japão
[6] Center Earth Simulator. Japan Marine Science Technology - Japão
Total Affiliations: 6
Document type: Journal article
Source: Brazilian Journal of Physics; v. 33, n. 3, p. 605-610, 2003-09-00.
Abstract

This paper describes an innovative technique, the gradient pattern analysis (GPA), for analysing spatially extended dynamics. The measures obtained from GPA are based on the spatio-temporal correlations between large and small amplitude fluctuations of the structure represented as a dynamical gradient pattern. By means of four gradient moments it is possible to quantify the relative fluctuations and scaling coherence at a dynamical numerical lattice and this is a set of proper measures of the pattern complexity and equilibrium. The GPA technique is applied for the first time in 3D-simulated molecular chains with the objective of characterizing small symmetry breaking, amplitude and phase disorder due to spatio-temporal fluctuations driven by the spatially extended dynamics of a relaxation regime. (AU)