Precipitation in Al-Zr-Sc alloys: A comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory

Proceedings of an International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2005

Volumn 2, Issue , 2005, Pages 683-703

  Clouet, Emmanuel ^a   Nastar, Maylise ^a   Barbu, Alain ^a   Sigli, Christophe ^b   Martin, Georges ^c  

^a SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^b Alcan CRV   (France)

^c DIF   (France)

Author keywords

[No Author keywords available]

Indexed keywords

MICROSTRUCTURE; MONTE CARLO METHODS; NUCLEATION; PRECIPITATION (CHEMICAL); SCANDIUM ALLOYS; SOLID SOLUTIONS; SUPERSATURATION; TERNARY SYSTEMS; ZIRCONIUM ALLOYS;

AB INITIO CALCULATIONS; ATOMIC SCALE; ISING TYPE MODEL; SHORT RANGE ORDER TENDENCY;

ALUMINUM ALLOYS;

EID: 33645214407     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (58)

1. V. I. Yelagin, V. V. Zakharov, S. G. Pavlenko, and T. D. Rostova. "Influence of Zirconium Additions on Ageing of Al-Sc Alloys." Phys. Met Metall., 60 (1985), 88-92
2. V. G. Davydov, V. I. Yelagin, V. V. Zakharov, and T. D. Rostova. "Alloying Aluminum Alloys with Scandium and Zirconium Additives." Metal Science and Heat Treatment, 38 (1996), 347-352
3. L. S. Toropova, D. G. Eskin, M. L. Kharaterova, and T. V. Bobatkina. Advanced Aluminum Alloys Containing Scandium - Structure and Properties (Amsterdam: Gordon and Breach Sciences, 1998)
4. C. B. Fuller, D. N. Seidman, and D. C. Dunand. "Mechanical Properties of Al(Sc,Zr) Alloys at Ambient and Elevated Temperatures." Acta Mater., 51 (2003), 4803-4814
5. Y. W. Riddle and T. H. Sanders. "A Study of Coarsening, Recrystallization, and Morphology of Microstructure in Al-Sc-(Zr)-(Mg) Alloys." Metall. Mater. Trans. A, 35 (2004), 341-350
6. J. Røyset and N. Ryum. "Scandium in Aluminium Alloys." Int. Mater. Rev., 50 (2005), 19-44
7. P. Villars and L. D. Calvert. Pearson's Handbook of Cristallographic Data for Intermetallic Phases (Oh: American Society for Metals, 1985)
8. 3Sc with Ternary Transition-Metal Additions." Mater. Sci. Eng., A329-331 (2002), 686-695
9. J. D. Robson and P. B. Prangnell. "Dispersoid Precipitation and Process Modelling in Zirconium Containing Commercial Aluminium Alloys." Acta Mater., 49 (2001), 599-613
10. N. Ryum. "Precipitation and Recrystallization in an Al-0.5 wt.% Zr Alloy." Acta Metall., 17 (1969), 269-278
11. 3Zr-Phase in Subperitectic Al-Zr Alloys." Acta Metall, 20 (1972), 499-506
12. 3Sc in Aluminum Alloys: from Kinetic Monte Carlo Simulations to Classical Theory." Phys. Rev. B, 69 (2004), 064109
13. E. Clouet, J. M. Sanchez, and C. Sigli. "First-Principles Study of the Solubility of Zr in Al." Phys. Rev, B, 65 (2002), 094105
14. M. Methfessel and M. van Schilfgaarde. "Derivation of Force Theorem in Density-Functional Theory: Application to the Full-Potential LMTO Method." Phys. Rev. B, 48 (1993), 4937-4940
15. J. P. Perdew, K. Burke, and M. Ernzerhof. "Generalized Gradient Approximation Made Simple." Phys. Rev. Lett., 77 (1996), 3865-3868
16. J. W. Connolly and A. R. Williams. "Density-Functional Theory Applied to Phase Transformations in Transition-Metal Alloys." Phys. Rev. B, 27 (1983), 5169-5172
17. L. S. Toropova, A. N. Kamardinkin, V. V. Kindzhibalo, and A. T. Tyvanchuk. "Investigation of Alloys of the Al-Sc-Zr System in the Aluminium-Rich Range." Phys. Met. Metall., 70 (1990), 106-110
18. 3(Sc,Zr) Precipitates in Al-Sc-Zr Alloys." Scripta Mater., 52 (2005), 621-625
19. V. Radmilovic, A. Tolley, and U. Dahmen. "Precipitate Evolution and Coarsening Kinetics in Al-Sc-Zr Alloys." In "Solid-Solid Phase Transformations in Inorganic Materials," (TMS, 2005)
20. 3(Sc,Zr)-Dispersoids in Aluminium Alloys." Scripta Mater., 51 (2004), 333-337
21. x) Precipitates." Acta Mater., submitted (2005)
22. F. Soisson and G. Martin. "Monte-Carlo Simulations of the Decomposition of Metastable Solid Solutions: Transient and Steady-State Nucleation Kinetics." Phys. Rev. B, 62 (2000), 203-214
23. 3Sc in Aluminum Alloys Modeled with Cluster Dynamics." Acta Mater., 53 (2005), 2313-2325
24. S. I. Golubov, Y. N. Osetsky, A. Serra, and A. V. Barashev. "The Evolution of Copper Precipitates in Binary Fe-Cu Alloys during Ageing and Irradiation." J. Nucl. Mater., 226 (1995), 252-255
25. M. H. Mathon, A. Barbu, F. Dunstetter, F. Maury, N. Lorenzelli, and C. H. de Novion. "Experimental Study and Modelling of Copper Precipitation Under Irradiation in Dilute FeCu Alloys." J. Nucl. Mater., 245 (1997), 224-237
26. A. V. Barashev, S. I. Golubov, D. J. Bacon, P. E. J. Flewitt, and T. A. Lewis. "Copper Precipitation in Fe-Cu Alloys under Electron and Neutron Irradiation." Acta Mater., 52 (2004), 877-886
27. G. Martin. "Reconciling the Classical Theory of Nucleation and Atomic Scale-Observations and Modeling." In "Solid-Solid Phase Transformations in Inorganic Materials," (TMS, 2005)
28. T. R. Waite. "General Theory of Bimolecular Reaction Rates in Solids and Liquids." J. Chem. Phys., 28 (1958), 103-106
29. G. Martin. "The Theories of Unmixing Kinetics of Solid Solutions." In "Solid State Phase Transformation in Metals and Alloys," (Orsay, France: Les Éditions de Physique, 1978), 337-406
30. 3Sc Precipitates in Al-Sc Alloys." Acta Mater., 49 (2001), 1909-1919
31. D. A. Porter and K. E. Easterling. Phase Transformations in Metals and Alloys (London: Chapman & Hall, 1992)
32. J. W. Christian. The Theory of Transformations in Metals and Alloys - Part I: Equilibrium and General Kinetic Theory (Oxford: Pergamon Press, 1975)
33. A. Perini, G. Jacucci, and G. Martin. "Cluster Free Energy in the Simple-Cubic Ising Model." Phys. Rev. B, 29 (1984), 2689-2697
34. 3Sc in Binary Al-Sc Alloys." Mater. Sci. Eng. A, 318 (2001), 144-154
35. E. A. Marquis, D. N. Seidman, and D. C. Dunand. "Creep of Precipitation-Strengthened Al(Sc) Alloys." In R. S. Mishra, J. C. Earthman, and S. V. Raj, eds., "Creep Deformation: Fundamentals and Applications," (TMS, 2002), 299
36. E. A. Marquis. Microstructural Evolution and Strengthening Mechanism in Al-Sc and Al-Mg-Sc Alloys. Ph.D. thesis, Northwestern University, Evanston, Illinois (2002)
37. V. V. Zakharov. "Stability of the Solid Solution of Scandium in Aluminum." Metal Science and Heat Treatment, 39 (1997), 61-66
38. J. Røyset and N. Ryum. "Kinetics and Mechanisms of Precipitation in an Al-0.2 wt.% Sc Alloy." Mater. Sci. Eng. A, 396 (2005), 409-422
39. N. Luiggi, J. P. Simon, and P. Guyot. "Residual Resistivity of Clusters in Solid Solutions." J. Phys. F, 10 (1980), 865-872
40. P. L. Rossiter. The Electrical Resistivity of Metals and Alloys (Cambridge: Cambridge Universtiy Press, 1987)
41. S. I. Fujikawa, M. Sugaya, H. Takei, and K. I. Hirano. "Solid Solubility and Residual Resistivity of Scandium in Aluminium." J. Less-Common Met., 63 (1979), 87-97
42. H.-H. Jo and S.-I. Fujikawa. "Kinetics of Precipitation in Al-Sc Alloys and Low Temperature Solid Solubility of Scandium in Aluminium studied by Electrical Resistivity Measurements." Mater. Sci. Eng. A, 171 (1993), 151-161
43. C. P. Flynn. Point Defects and Diffusion (Oxford: Clarendon Press, 1972)
44. L. Laé and P. Guyot. "Cluster Dynamics Modeling of Precipitation Kinetics: Recent Developments." In "Solid-Solid Phase Transformations in Inorganic Materials," (TMS, 2005)
45. D. T. Wu. "Nucleation Theory." Solid State Physics, 50 (1997), 37-187
46. R. Wagner and R. Kampmann. "Homogeneous Second Phase Precipitation." In R. W. Cahn, P. Haasen, and E. J. Kramer, eds., "Materials Science and Technology, a Comprehensive Treatment," (Weinheim: VCH, 1991), volume 5, chapter 4. 213-303
47. R. A. Ramos, P. A. Rikvold, and M. A. Novotny. "Test of the Kolmogorov-Johnson-Mehl-Avrami Picture of Metastable Decay in a Model with Microscopic Dynamics," Phys. Rev. B, 59 (1999), 9053-9069
48. V. A. Shneidman, K. A. Jackson, and K. M. Beatty. "Nucleation and Growth of a Stable Phase in an Ising-type System." Phys. Rev. B, 59 (1999), 3579-3589
49. M. A. Novotny, P. A. Rikvold, M. Kolesik, D. M. Townsley, and R. A. Ramos. "Simulations of Metastable Decay in Two- and Three-Dimensional Models with Microscopic Dynamics." J. Non-Cryst. Solids, 274 (2000), 356-363
50. F. Berthier, B. Legrand, J. Creuze, and R. Tétot. "Atomistic Investigation of the Kolmogorov-Johnson-Mehl-Avrami Law in Electrodeposition Process." J. Electroanal Chem., 561 (2004), 37
51. F. Berthier, B. Legrand, J. Creuze, and R. T́tot. "Ag/Cu (001) Electrodeposition: Beyond the Classical Nucleation Theory." J. Electroanal. Chem., 562 (2004), 127
52. R. Kikuchi. "A Theory of Cooperative Phenomena." Phys. Rev., 81 (1951), 988-1003
53. J. M. Sanchez and D. de Fontaine. "The fcc Ising Model in the Cluster Variation Approximation." Phys. Rev. B, 17 (1978), 2926-2936
54. F. Ducastelle. Order and Phase Stability in Alloys (North-Holland, Amsterdam, 1991)
55. E. Clouet. Séparation de Phase dans les Alliages Al-Zr-Sc: du Saut des Atomes à la Croissance de Précipités Ordonnés. Ph.D. thesis. École Centrale Paris (2004), Http://tel.ccsd.cnrs.fr/documents/archives0/00/00/59/74
56. H. Reiss. "The Kinetics of Phase Transitions in Binary Systems." J. Chem. Phys., 18 (1950), 840-848
57. J. O. Hirschfelder. "Kinetics of Homogeneous Nucleation on Many-Component Systems." J. Chem. Phys., 61 (1974), 2690-2694
58. D. T. Wu. "General Approach to Barrier Crossing in Multicomponent Nucleation." J. Chem. Phys., 99 (1993), 1990-2000