Fitting interatomic potentials using molecular dynamics simulations and inter-generation projection genetic algorithm

Journal of Micromechanics and Microengineering

Volumn 13, Issue 2, 2003, Pages 254-260

  Xu, Y G ^a   Liu, G R ^b  

^a SINGAPORE MIT ALLIANCE   (Singapore)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; COMPUTER SIMULATION; GENETIC ALGORITHMS; LATTICE CONSTANTS; OPTIMIZATION;

INTERATOMIC POTENTIAL;

MOLECULAR DYNAMICS;

EID: 0037342279     PISSN: 09601317     EISSN: None     Source Type: Journal    
DOI: 10.1088/0960-1317/13/2/313     Document Type: Article

References (22)

1. Barrett C S and Massalski T B 1966 Structure of Metals (New York: McGraw-Hill)
2. Car R and Parrinello M 1985 Unified approach for molecular dynamics and density-functional theory Phys. Rev. Lett. 55 2471-4
3. Carroll D L 1996 Chemical laser modeling with genetic algorithms AIAA J. 34 338-46
4. Clementi E and Roetti C 1974 Atomic Data and Nuclear Data Tables vol 14 (New York: Academic) pp 177-478
5. Daw M S and Baskes M I 1984 Embedded-atom method: derivation and application to impurities, surfaces, and other defects in metals Phys. Rev. B 29 6443-53
6. Ercolessi F 1997 A Molecular Dynamics Primer. Spring College in Computational Physics (Italy: Trieste) web page http://www.sissa.it/furio
7. Foiles S M, Baskes M I and Daw M S 1986 Embedded-atom-method functions for the fee metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys Phys. Rev. B 33 7983-91
8. Gen M and Chen R W 1997 Genetic Algorithms and Engineering Design (New York: Wiley)
9. Haile J M 1992 Molecular Dynamics Simulation: Elementary Methods (New York: Wiley)
10. Kaufman L and Bernstein H 1970 Computer Calculation of Phase Diagrams (New York: Academic) p 185
11. Kitamura T, Yashiro K and Ohtani R 1997 Atomic simulation on deformation and fracture of nano-single crystal of nickel in tension JSME Int. J. A 40 430-5
12. Maitland G C, Rigby M, Smith E B and Wakeham W A 1981 Intermoleular Forces (Oxford: Carendon)
13. Mehl M J and Papaconstantopoulos D A 1996 Applications of a tight-binding total-energy method for transition and noble metals: elastic constants, vacancies, and surfaces of monatomic metals Phys. Rev. B 54 4519-30
14. Simmons G and Wang H 1971 Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook (Cambridge, MA: MIT Press)
15. Smith C J 1976 Metal Reference Books 5th edn (London: Butterworths) p 186
16. Tyson W R and Miller W A 1977 Surface free energies of solid metals: estimation from liquid surface tension measurements Surf. Sci. 62 267-76
17. Voter A F 1994 The embedded-atom method Intermetallic Compounds: Principles and Applications vol 1, ed J H Westbrook and R L Fleischer (New York: Wiley) pp 77-90
18. 3Al, Characterization of Defect in Material vol 82, ed R V Siegal, J R Weetmorn and R Sinclair (Pittsburgh: Material Research Society) p 175
19. Wills J M and Harrison W A 1983 Interionic interactions in transition metals Phys. Rev. B 28 4363-73
20. Wycisk W and Feller-Kniepmeier M 1978 J. Nucl. Mater. 69-70 616
21. Xu Y G, Liu G R and Wu Z P 2001 A novel hybrid genetic algorithm using local optimizer based on heuristic pattern move Appl. Artif. Intell. 15 601-31
22. Xu Y G, Liu G R and Wu Z P 2002 Damage detection for composite plates using lamb waves and projection genetic algorithm AIAA J. 40 1860-6