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Master's Dissertation
DOI
https://doi.org/10.11606/D.59.1993.tde-24062024-163341
Document
Author
Full name
Osvaldo Eduardo Aiélo
Institute/School/College
Knowledge Area
Date of Defense
Published
Ribeirão Preto, 1993
Supervisor
Committee
Silva, Marco Antonio Alves da (President)
Felicio, Jose Roberto Drugowich de
Rino, José Pedro
 
Title in Portuguese
Método Monte Carlo dinâmico e suas aplicações
Keywords in Portuguese
Não informado
Abstract in Portuguese
O processo adsorção-desorção de Langmuir é analisado, mostrando como podemos simular dinâmica através do Método Monte Carlo. Os resultados da simulação são comparados com a solução exata, e um algorítmo para obter valores médios de grandezas físicas para qualquer instante da evolução do sistema é proposto. Os resultados foram excelentes, com erro menor que 2% para todos os tempos de simulação, tanto para redes 100 X 100 pontos com 25 "rodadas" como para a de 500 x 500 com 1 "rodada". Os experimentos com a rede 500 x 500 mostraram menores desvios em relação à solução exata. Tal técnica pode ser utilizada em sistemas mais complicados como por exemplo crescimento de cristais de macromoléculas biológicas. É discutido especificamente um exemplo de crescimento de cristal de Lisozima.
 
Title in English
Não informado
Keywords in English
Não informado
Abstract in English
The Langmuir adsorption-desorption process is analyzed, showing how its dynamics can be simulated by the Monte Carlo method. The results are compared with the exact solution, and an algorithm is proposed in order to get mean values of physical observables at any instant of time of the evolution of the system. The results were in excellent agreement with the exact solution, with an error less than 2% for all times of simulation, as for a net of 100 X 100 points with 25 runs, as for net 500 X 500 with one run. The experiments with a net 500 x 500 showed lower deviations with respect to exact solution. Such technique may be applied to more complex systems, such as, crystal growth of biological macromolecules. Specifically, is discussed the Lysozime crystal growth.
 
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Publishing Date
2024-06-24
 
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