Atomistic Modeling of pure Mg and Mg-Al systems

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 4, 2009, Pages 650-657

  Kim, Young Min ^a   Kim, Nack J ^a   Lee, Byeong Joo ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

Atomistic simulation; Mg; Mg Al; Modified embedded atom method

Indexed keywords

ATOMISTIC MODELING; ATOMISTIC SIMULATIONS; BINARY SYSTEMS; DEFORMATION BEHAVIOR; ELASTIC PROPERTIES; EXPERIMENTAL DATA; INTERATOMIC POTENTIAL; MODIFIED EMBEDDED ATOM METHODS; PLANAR DEFECT; PURE MG; THERMAL PROPERTIES;

ALLOYING ELEMENTS; ATOMS; INTERFACIAL ENERGY; POINT DEFECTS;

ALUMINUM;

EID: 74249110559     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2009.07.004     Document Type: Article

References (70)

1. Yoo M.H. Metall. Trans. A 12 (1981) 409
2. Agnew S.R., Yoo M.H., and Tome C.N. Acta Mater. 49 (2001) 4277
3. J.S. Park, Ph.D. Thesis, Pohang University of Science and Technology, 2008
4. Roberts C.S. Magnesium and Its Alloys (1960), Wiley, New York
5. Avedesian M.M., and Baker H. Magnesium and Magnesium Alloys (1999), ASM International, Ohio
6. Daw M.S., and Baskes M.I. Phys. Rev. Lett. 50 (1983) 1285
7. Oh D.J., and Johnson R.A. J. Mater. Res. 3 (1988) 471
8. Finnis M.W., and Sinclair J.E. Philos. Mag. A 50 (1984) 45
9. Igarashi M., Kanta K., and Vitek V. Philos. Mag. B 63 (1991) 603
10. Pasianot R., and Savino E.J. Phys. Rev. B 45 (1992) 12704
11. Rosato V., Guillope M., and Legrand B. Philos. Mag. A 59 (1989) 321
12. Cleri F., and Rosato V. Phys. Rev. B 48 (1993) 22
13. Baskes M.I. Phys. Rev. B 46 (1992) 2727
14. Baskes M.I., and Johnson R.A. Modell. Simul. Mater. Sci. Eng. 2 (1994) 147
15. Liu X.Y., Adams J.B., Ercolessi F., and Moriarty J.A. Modell. Simul. Mater. Sci. Eng. 4 (1996) 293
16. Hu W., Zhang B., Huang B., Gao F., and Bacon D.J. J. Phys: Condens. Matter. 13 (2001) 1193
17. Ackland G.J., and Vitek V. Phys. Rev. B 41 (1990) 10324
18. Jelinek B., Houze J., Kim S., Horstemeyer M.F., Baskes M.I., and Kim S.-G. Phys. Rev. B 75 (2007) 054106
19. Liu X.Y., Ohotnicky P.P., Adams J.B., Lane Rohrer C., and Hyland R.W. Surf. Sci. 373 (1997) 357
20. Lee B.-J., and Baskes M.I. Phys. Rev. B 62 (2000) 8564
21. Lee B.-J., Baskes M.I., Kim H., and Cho Y.K. Phys. Rev. B 64 (2001) 184102
22. Lee B.-J., Shim J.-H., and Baskes M.I. Phys. Rev. B 68 (2003) 144112
23. Kim Y.-M., Lee B.-J., and Baskes M.I. Phys. Rev. B 74 (2006) 014101
24. Lee B.-J., and Lee J.W. CALPHAD 29 (2005) 7
25. Lee B.-J. CALPHAD 31 (2007) 95
26. Kim E.H., Shin Y.-H., and Lee B.-J. CALPHAD 32 (2008) 34
27. Do E.C., Shin Y.-H., and Lee B.-J. CALPHAD 32 (2008) 82
28. Kim Y.-M., Shin Y.-H., and Lee B.-J. Acta Mater. 57 (2009) 474
29. Lee B.-J. Acta Mater. 54 (2006) 701
30. Lee B.-J., Lee T.-H., and Kim S.-J. Acta Mater. 54 (2006) 4597
31. Lee B.-J., and Jang J.-W. Acta Mater. 55 (2007) 6779
32. Lee B.-J., Wirth B.D., Shim J.-H., Kwon J., Kwon S.C., and Hong J.-H. Phys. Rev. B 71 (2005) 184205
33. Sa I., and Lee B.-J. Scripta Mater. 59 (2008) 595
34. Kim Y.-M., and Lee B.-J. Acta Mater. 56 (2008) 3481
35. Kim H.-K., Jung W.-S., and Lee B.-J. Acta Mater. 57 (2009) 3140
36. Rose J.H., Smith J.R., Guinea F., and Ferrante J. Phys. Rev. B 29 (1984) 2963
37. Baskes M.I. Mater. Chem. Phys. 50 (1997) 152
38. Errandonea D., Meng Y., Hausermann D., and Uchida T. J. Phys: Condens. Matter. 15 (2003) 1277
39. Lee B.-J., and Shim J.-H. CALPHAD 28 (2004) 125
40. Barrett C.S., and Massalski T.B. Structure of Metals: Crystallographic Methods, Principles and Data (1980), Pergamon Press, Oxford
41. Simmons G., and Wang H. Single crystal elastic constants and calculated aggregate properties: A handbook (1971), MIT Press, Cambridge, MA
42. Saunders N., Miodownik A.P., and Dinsdale A.T. CALPHAD 12 (1988) 351
43. Janot C., Malléjac D., and George B. Phys. Rev. B 2 (1970) 3088
44. Mairy C., Hillairet J., and Schumacher D. Acta Metall. 15 (1967) 1258
45. Beevers C.J. Acta Metall. 11 (1963) 1029
46. Tzanetakis P., Hillairet J., and Revel G. Phys. Status Solidi (b) 75 (1976) 433
47. Combronde J., and Brebec G. Acta Metall. 19 (1971) 1393
48. Tyson W.R., and Miller W.A. Surf. Sci. 62 (1977) 267
49. H. Conrad, I. Perlmutter, Tech. Rep. AFML-TR-65-310, Air Force Materials Laboratory, Wright-Patterson Air Force Base, Ohio, 1965
50. Chetty N., and Weinert M. Phys. Rev. B 56 (1997) 10844
51. Brandes E.A., and Brook G.B. Smithells Metals Reference Book (1992), Butterworth-Heinemann, Oxford
52. Touloukian Y.S., Kirby R.K., Taylor R.E., and Desai P.D. Thermophysical Properties of Matter vol. 12 (1975), Plenum, New York
53. Predel B., and Huelse K. Z. Met.kd. 69 (1978) 661
54. Brown J.A., and Pratt J.N. Metall. Trans. 1 (1970) 2743
55. Massalski T.B., Murray J.L., Bennett L.H., and Baker H. Binary Alloy Phase Diagrams vol. I and II (1986), ASM, Metals Park, Ohio
56. Wang N., Yu W.Y., Tang B.Y., Peng L.M., and Ding W.J. J. Physica D: Appl. Phys. 41 (2008) 195408
57. Zhong Y., Yang M., and Liu Z.-K. CALPHAD 29 (2005) 303
58. Liang P., Su H.L., Donnadieu P., Harmelin M.G., Quivy A., Ochin P., Effenberg G., Seifert H.J., Lukas H.L., and Aldinger F. Z. Met.kd. 89 (1998) 536
59. Kawakami M. Sci. Rep. Tohoku Imp. Univ. 19 (1930) 521
60. Belton G.R., and Rao Y.K. Metall. Trans. AIME 245 (1969) 2189
61. Batalin G.I., Sololskij V.E., and Shimanskaja T.B. Ukr. Khim. Zh. SSSR 37 (1971) 397
62. Bhatt Y.J., and Garg S.P. Metall. Trans. B 7 (1976) 271
63. Kazimov V., and Batalin G.I. Ukr. Khim. Zh. SSSR 49 (1983) 887
64. Juneja J.M., Abraham K.P., and Iyengar G.N.K. Scripta Metall. 20 (1986) 177
65. Moser Z., Zakulski W., Rzyman K., Gasior W., Panek Z., Katayama I., Matsuda T., Fukuda Y., Iida T., and Zajaczkowski Z. J. Phase Equilib. 19 (1998) 38
66. Agarwal F., and Sommer F. Z. Met.kd. 82 (1991) 118
67. Dorn J.E., Pietrokowsky P., and Tietz T.E. Trans. AIME 188 (1950) 933
68. Ellwood C.E. J. Inst. Met. 80 (1952) 605
69. Poole D.M., and Axon H.J. J. Inst. Met. 80 (1952) 599
70. Busk R.S. Trans. AIME 188 (1950) 1460