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

Journal of Phase Equilibria and Diffusion

Volumn 28, Issue 2, 2007, Pages 140-149

  Chakraborti, N ^a   Jayakanth, R ^a   Das, S ^a   Calisir E D ^b   Erkoc S ^b  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

^b MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Ab initio methods; Binary system; Calculations; Computation; First principles; Genetic algorithm; Modeling; Optimization

Indexed keywords

AB INITIO METHODS; BINARY SYSTEMS; DIFFERENTIAL EVOLUTION; PARTICLE SWARM ALGORITHMS;

COMPUTATIONAL METHODS; GENETIC ALGORITHMS; GRAPHITE ELECTRODES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; STRUCTURAL OPTIMIZATION;

LITHIUM BATTERIES;

EID: 34249845748     PISSN: 15477037     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11669-007-9019-8     Document Type: Article

References (36)

1. J. Tersoff, New Empirical Approach for the Structure and Energy of Covalent Systems, Phys. Rev. B, 1988, 37, p 6991-7000
2. J. Tersoff, Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon, Phys. Rev. Lett., 1988, 61, p 2879-2882
3. W. Kohn and L.J. Sham, Self-consistent Equations Including Exchange and Coelation Effects, Phys. Rev. A, 1965, 140, p A1133-A1138
4. A.D. Becke, Density-functional Thermochemistry. III. The Role of Exact Exchange, J. Chem. Phys., 1993, 98, p 5648-5652
5. C. Lee, W. Yang, and R.G. Parr, Development of the Colle-Salvetti Correlation-energy Formula into a Functional of the Electron Density, Phys. Rev. B, 1993, 37, p 785-789
6. R. Krishnan, J.S. Kinkley, R. Seeger, and J.A. Pople, Self-consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions, J. Chem. Phys., 1980, 72, p 650-654
7. Gaussian-98 Rev. A.7 package. Gaussian Inc., 1998, Pittsburgh, PA 15106, USA
8. Z. Michalewicz, Genetic Algorithms + Data Structures - Evolution Programs. Springer, Berlin, 1999
9. M. Mitchell, An Introduction to Genetic Algorithms. Prentice-Hall, New Delhi, India, 1998
10. I.N. Egorov-Yegorov and G.S. Dulikravich, Chemical Composition Design of Superalloys for Maximum Stress, Temperature, and Time-to-rupture Using Self-adapting Response Surface Optimization, Mater. Manuf. Processes, 2005, 20, p 569-590
11. N. Chakraboiti, Genetic Algorithms in Materials Design and Processing, Int. Mater. Rev., 2004, 49, p 246-260
12. C.Z. Wang and K. M Ho, Material Simulations with Tight-binding Molecular Dynamics, J. Phase Equilibria, 1997, 18, p 516-529
13. B. Hartke, Global Geometry Optimization of Clusters Using Genetic Algorithms, J. Phys. Chem., 1993, 97, p 9973
14. M. Iwamatsu, Global Geometry Optimization of Silicon Clusters Using the Space-fixed Genetic Algorithm, J. Chem. Phys., 2000, 112, p 10976
15. G. Klimeck, R.C. Bowen, T.B. Boykin, C. Salazar-Lazaro, T.A. Cwik, and A. Stoica, Si Tight-binding Parameters from Genetic Algorithm Fitting, Superlattices Microstruct., 2000, 27, p 77-88
16. J.A. Niesse and H.R. Mayne, Global Geometry Optimization of Atomic Clusters Using a Modified Genetic Algorithm in Space-fixed Coordinates, J. Chem. Phys., 1996, 105, p 4700-4706
17. N. Chakraborti, P. Mishra, and Ş. Erkoç, A Study of the Cu Clusters Using Gray-coded Genetic Algorithms and Differential Evolution, J. Phase Equilibria Diffusion, 2004, 25, p 16-21
18. 2m Clusters Using Genetic Algorithms, J. Phase Equilibria, 2003, 24, p 132-139
19. N. Chakraborti, K. Misra, P. Bhatt, N. Barman, and R. Prasad, Tight-binding Calculations of Si-H Clusters Using Genetic Algorithms and Related Techniques: Studies Using Differential Evolution, J. Phase Equilibria, 2001, 22, p 525-530
20. N. Chakraborti, P.S. De, and R. Prasad, Genetic Algorithms Based Structure Calculations for Hydrogenated Silicon Clusters, Mater. Lett., 2002, 55, p 20-26
21. Ş. Erkoç, K. Leblebicioglu, and U. Halici, Application of Genetic Algorithms to Geometry Optimization of Microclusters: A Comparative Study of Empirical Potential Energy Functions for Silicon, Mater. Manuf. Process., 2003, 18, p 329-339
22. K. Price and R. Stom, Differential Evolution, Dr Dobbs J., 1997, 22, p 18+
23. K.V. Price, R.M. Stom, and J.A. Lampinen, Differential Evolution -A Practical Approach to Global Optimization. Springer, Berlin, 2005
24. N. Chakraborti and A. Kumar, The Optimal Scheduling of a Reversing Strip Mill: Studies Using Mullipopulation Genetic Algorithms and Differential Evolution, Mater. Manufact. Processes, 2003, 18, p 433-445
25. T.D. Rane, R. Dewri, S. Ghosh, K. Mitra, and N. Chakraborti, Modeling the Recrystallizalion Process Using Inverse Cellular Automata and Genetic Algorithms: Studies Using Differential Evolution, J. Phase Equilibria Diffusion, 2005, 26, p 311-321
26. J.F. Kennedy, R.C. Eberhart, and Y. Shi, Swarm Intelligence. Morgan Kaufmann Pub, San Francisco, 2001
27. S.P. Ghoshal, Optimizations of PID Gains by Particle Swarm Optimizations in Fuzzy Based Automatic Generation Control, Electric Power Syst. Res., 2004, 72, p 203-212
28. S. He, Q.H. Wu, J.Y. Wen, J.R. Saunders, and R.C. Paton, A Particle Swarm Optimizer with Passive Congregation, Biosystems, 2004, 78, p 135-147
29. D.W. Heerman, Computer Simulation Methods in Theoretical Physics. Springer-Verlag, Berlin, Heidelberg, 1986
30. S. Basu, Early Studies on Anodic Properties of Lithium Intercalated Graphite, J. Power Sources, 1999, 81, p 200-206
31. R. Janot and D. Guerard, Ball-milling in Liquid Media - Applications to the Preparation of Anodic Materials for Lithium-ion Batteries, Prog. Mater. Sci., 2005, 50, p 1-92
32. + Adsorbed on Carbon Nanotube; Variation of Tubule Diameter and Length, Chem. Phys. Lett., 2005, 406, p 161-166
33. N. Chakraborti, S. Das, R. Jayakanth, R. Pekoz, and Ş. Erkoç, Genetic Algorithms Applied to Li+ Ions Contained in Carbon Nanotubes: An Investigation Using Particle Swarm Optimization and Differential Evolution along with Molecular Dynamics. Mater. Manuf. Process., 2007, 22, in press
34. Ş. Erkoç, Stability of Carbon Nanostructures: Balls, Tubes, Rods, Toroids. In: N. Chakraborti and U.K. Chatterjee (Eds), Proceedings of the International Conference on Advances in Materials and Materials Processing (ICAMMP-2002). 1-3 February, 2002, IIT-Kharagpur, India. Tata McGraw-Hill Pub. Com. Ltd., New Delhi, 2002, pp. 356-363
35. C. Garau, A. Frontera, D. Quiñonero, A. Costa, P. Ballester, and P.M. Deyà, Ab Initio Investigations of Lithium Diffusion in Single-walled Carbon Nanotubes, Chem. Phys., 2004, 297, p 85-91
36. Z.G. Huang, Z.N. Guo, X. Chen, T.M. Yue, S. To, and W.B. Lee, Molecular Dynamics Simulation for Ullrafine Machining, Mater. Manuf. Process., 2006, 21, p 393-397