Evolutionary and genetic algorithms applied to Li+-C system: Calculations using differential evolution and particle swarm algorithm


Chakraborti N., Jayakanth R., Das S., Calisir E. A. , Erkoc S.

JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, vol.28, no.2, pp.140-149, 2007 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 28 Issue: 2
  • Publication Date: 2007
  • Doi Number: 10.1007/s11669-007-9019-8
  • Title of Journal : JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION
  • Page Numbers: pp.140-149

Abstract

A set of empirical potentials based upon two and three body interactions were constructed for the Li+-C system and structural optimizations for various assemblages containing Li+ ions and graphene sheets were conducted using some emerging evolutionary and genetic algorithms, differential evolution, and particle swarm optimization in particular. Some limited molecular dynamics calculations were also performed. The results are discussed and analyzed with reference to the lithium ion batteries, where the graphite-Li+ assemblages traditionally constitute the negative electrode, for which the present results are highly pertinent.