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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

Mapping the phase transitions of the ZGB model with inert sites via nonequilibrium optimizing methods

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Autor(es):
Fernandes, Henrique A. [1] ; da Silva, Roberto [2]
Número total de Autores: 2
Afiliação do(s) autor(es):
[1] Univ Fed Goias, Inst Ciencias Exatas, BR 364, Km 192, 3800, BR-75801615 Jatai, Go - Brazil
[2] Univ Fed Rio Grande do Sul, Inst Fis, Av Bento Concalves 9500, BR-91501970 Porto Alegre, RS - Brazil
Número total de Afiliações: 2
Tipo de documento: Artigo Científico
Fonte: JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT; MAY 2019.
Citações Web of Science: 0
Resumo

In this paper, we revisit the ZGB model and explore the effects of the presence of inert sites on the catalytic surface. The continuous and discontinuous phase transitions of the model are studied via time-dependent Monte Carlo simulations. In our study, we are concerned with building a refinement procedure, based on a simple concept known as coefficient of determination r, in order to find the possible phase transition points given by the two parameters of the model: the adsorption rates of carbon monoxide, y, and the density of inert sites, rho(is). First, we obtain 10(6) values of r by sweeping the whole set of possible values of the parameters with an increment 10(-3) , i.e. 0 <= y <= 1 and 0 <= rho(is) <= 1 with Delta y = Delta rho(is) = 10(-3). Then, with the possible phase transition points in hand, we turn our attention to some fixed values of rho(is) and perform a more detailed refinement considering larger lattices and increasing the increment Delta y by one order of magnitude to estimate the critical points with higher precision. Finally, we estimate the static critical exponents beta, nu(parallel to), and nu(perpendicular to), as well as the dynamic critical exponents z and theta. (AU)

Processo FAPESP: 13/07375-0 - CeMEAI - Centro de Ciências Matemáticas Aplicadas à Indústria
Beneficiário:José Alberto Cuminato
Linha de fomento: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs