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

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

139
views

0
downloads

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

Suggestions

OpenMETU
Core

A study of the Cu clusters using gray-coded genetic algorithms and differential evolution Chakraborti, N; Mishra, P; Erkoç, Şakir (Springer Science and Business Media LLC, 2004-02-01) Energy minimization studies were carried out for a number of Cu clusters using binary and Gray-coded genetic algorithms along with real coded differential evolution, and their optimized ground state geometries are presented. The potential energy function is constructed using a two-body interaction methodology, involving both attractive and repulsive pair-potential terms. The results obtained through the evolutionary algorithms are compared against those obtained earlier using a Monte Carlo technique.
Numerical evidence of spontaneous division of dissipative solitons in a planar gas discharge-semiconductor system Rafatov, İsmail (AIP Publishing, 2019-09-01) This work deals with the formation of patterns of spatially localized solitary objects in a planar semiconductor gas-discharge system with a high Ohmic electrode. These objects, known as dissipative solitons, are generated in this system in the form of self-organized current filaments, which develop from the homogeneous stationary state by the Turing bifurcation. The numerical model reveals, for the first time, evidence of spontaneous division of the current filaments in this system, similar to that observe...
NONLINEARITY, DISSIPATION AND TRANSPORT IN A MOLECULAR TRIMER GULEN, D; BASKAL, S (IOP Publishing, 1993-02-15) This study investigates the effects of dissipation on the quasi-particle transport in a degenerate molecular trimer in which the time evolution is described by the discrete non-linear Schrodinger equation. The standard procedure of introducing dissipation as a phase-destroying stochastic parameter through the corresponding Liouville-von Neumann equation is employed. A dosed second-order integrodifferential equation describing the time evolution of the site occupation probability difference is derived in the...
Thermal activation energy of crystal and amorphous nano-silicon in SiO2 matrix Wang, Jiwei; Righini, Marcofabio; Gnoli, Andrea; Foss, Steinar; Finstad, Terje; Serincan, Ugur; Turan, Raşit (Elsevier BV, 2008-09-01) Temperature and size dependence of photoluminescence (PL) of nano-silicon embedded in SiO2 matrix samples were studied. In these measurements, four samples with deferent implantation dose showed their similar tendency. Their nano-structure was investigated by high resolution electron microscopy (HREM) and selected area diffraction (SAD) which confirmed that only those prepared with the higher Si implantation dose formed crystal nano-silicon. The further analysis of the dependence of thermal activation energ...
Modeling of the atomic ordering processes in Fe3Al intermetallics by the Monte Carlo simulation method combined with electronic theory of alloys Mehrabov, Amdulla; Akdeniz, Mahmut Vedat (Springer Science and Business Media LLC, 2003-12-01) The evolution of atomic ordering processes in Fe3Al has been modeled by the Monte Carlo (MC) simulation method combined with the electronic theory of alloys in pseudopotential approximation. The magnitude of atomic ordering energies of atomic pairs in the Fe3Al system has been calculated by means of electronic theory in pseudopotential approximation up to sixth coordination spheres and subsequently used as input data for MC simulation for more detailed analysis for the first time. The Bragg–Williams long-ra...

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.