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

Date

2007-04-01

Author

Chakraborti, N.
Jayakanth, R.
Das, S.
Calisir, E. A.
Erkoç, Şakir

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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.

Subject Keywords

Materials Chemistry, Condensed Matter Physics, Metals and Alloys

URI

https://hdl.handle.net/11511/56865

Journal

JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

DOI

https://doi.org/10.1007/s11669-007-9019-8

Collections

Department of Physics, Article

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Citation Formats

N. Chakraborti, R. Jayakanth, S. Das, E. A. Calisir, and Ş. Erkoç, “Evolutionary and genetic algorithms applied to Li+-C system: Calculations using differential evolution and particle swarm algorithm,” JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, pp. 140–149, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56865.