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

Autor(es)

Reinaldo R. Rosa ^[1] ; Marcia R. Campos ^[2] ; Fernando M. Ramos ^[3] ; Nandamudi L. Vijaykumar ^[4] ; Susumu Fujiwara ^[5] ; Tetsuya Sato ^[6]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: Brazilian Journal of Physics; v. 33, n. 3, p. 605-610, 2003-09-00.

Resumo

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)

• Processo FAPESP: 97/13374-1 - Caracterização de regimes complexos em sistemas dissipativos auto-organizados
• Beneficiário: Reinaldo Roberto Rosa
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores
• Processo FAPESP: 98/03104-0 - Caracterização de regimes complexos em sistemas dissipativos auto-organizados
• Beneficiário: Reinaldo Roberto Rosa
• Modalidade de apoio: Bolsas no Brasil - Jovens Pesquisadores