Generation of continuous random networks by simulated annealing

  • Authors:

  • A. L. Martinotto;F. Jornada;L. A. Cassol;V. Gava;R. V. Dorneles;C. A. Perotoni

  • Affiliations:

  • Universidade de Caxias do Sul, Caxias do Sul, RS, Brasil;Universidade Federal do Rio, Grande do Sul, Porto Alegre, RS, Brasil;Universidade de Caxias do Sul, Caxias do Sul, RS, Brasil;Universidade de Caxias do Sul, Caxias do Sul, RS, Brasil;Universidade de Caxias do Sul, Caxias do Sul, RS, Brasil;Universidade de Caxias do Sul, Caxias do Sul, RS, Brasil

  • Venue:
  • Proceedings of the 2008 ACM symposium on Applied computing
  • Year:
  • 2008

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Abstract

This work presents a new approach for the computational treatment of amorphous materials. Simulated Annealing has been used for generating carbon continuous random networks. Unlike other methods, it is possible to define a priori the percentage of sp3, sp2 and sp hibridized carbon atoms in the final structure. Using grid computing resources, several structures were generated simultaneously. In this way, we can easily scan all the range of amorphous materials with different proportions between the possible hibridizations of carbon.