Proposed definition of microchemical inhomogeneity and application to characterize some selected miscible/immiscible binary metal systems

Journal of Physical Chemistry B

Volumn 108, Issue 41, 2004, Pages 16071-16076

  Li, J H ^a   Kong, L T ^a   Liu, B X ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION; COMPUTER SIMULATION; CONCENTRATION (PROCESS); MOLECULAR DYNAMICS; PHASE DIAGRAMS; SOLID SOLUTIONS; SOLUBILITY;

AMORPHOUS STATE; BINARY METAL SYSTEMS; HEAT OF FORMATION; MICROCHEMICAL INHOMOGENEITY;

BINARY ALLOYS;

EID: 7244238996     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047897x     Document Type: Article

References (41)

1. Sobolev, V. V.; Guilemany, J. M. Mater. Lett. 1995, 25, 285.
2. Wittig, J. E.; Al-Sharab, J. F.; Doerner, M.; Bian, X.; Bentley, J.; Evans, J. D. Scripta Mater. 2003, 48, 943.
3. Rogers, D. J.; Maeda, Y.; Krishnan, K. M. J. Magn. Magn. Mater. 1997, 163, 393.
4. Vasilyeva, I. G. J. Alloy Compd. 2001, 323-324, 34.
5. Warren, B. E.; Averbach, B. L.; Robert, B. W. J. Appl. Phys. 1951, 22, 1493.
6. Cargill, G. S., III; Spaepen, F. J. Non-Cryst. Solids. 1981, 43, 91.
7. Miedema, A. R.; Niessen, A. K.; De Boer, F. R.; Boom, R.; Matterns, W. C. M. Cohesion in Metals: Transition Metal Alloys; North-Holland: Amsterdam, The Netherlands, 1989.
8. Brandes, E. A.; Brook, G. B. Smithells Metals Reference Book, 7th ed.; Butterworth-Heinermann: Oxford, UK, 1992.
9. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558.
10. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 6, 15.
11. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
12. Liu, B. X.; Lai, W. S.; Zhang, Z. J. Adv. Phys. 2001, 50, 367.
13. Lai, W. S.; Liu, B. X. J. Mater. Res. 2001, 16, 446.
14. Kreuch, G.; Hafner, J. J. Non-Cryst. Solids 1995, 189, 227.
15. Mendelev, M. I.; Belashchenko, D. K.; Ishmaev, S. N. J. Non-Cryst. Solids 1996, 205-207, 888.
16. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
17. Perdew, J.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
18. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
19. Liu, J. B.; Yang, G. W.; Liu, B. X. Phys. Rev. B 2000, 62, 11277.
20. Tomanek, D.; Aligia, A. A.; Balseiro, C. A. Phys. Rev. B 1985, 32, 5051.
21. Rosato, V.; Guillope, M.; Legrand, B. Philos. Mag. A 1989; 59, 321.
22. Willaime, F.; Massobrio, C. Phys. Rev. B 1991, 43, 11653.
23. Cleri, F.; Rosato, V. Phys. Rev. B 1993, 48, 22.
24. Meyer, M.; Pontikis, V. Computer Simulation in Materials Science; NATO ASI Ser. E V205; Kluwer Dordrecht, The Netherlands, 1991.
25. David, R.; Lide Handbook Of Chemistry And Physics: A Ready Reference Book Of Chemical And Physical Data, 83rd ed.; CRC: New York, 2002.
26. Parrinello, M.; Rahman, A. J. Appl. Phys. 1981, 52, 7182.
27. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon: Oxford, UK, 1986.
28. Ciccotti; Hoover, W. G. Molecular-Dynamics Simulation of Statistical-Mechanical Systems; ASI-NATO: North-Holland: Amsterdam, The Netherlands, 1986.
29. Rosato, V.; Ciccotti, G.; Pontikis, V. Phys. Rev. B 1986, 33, 1860.
30. Phillpot, S. R.; Yip, S.; Wolf, D. Comput. Phys. 1989, 3, 20.
31. Liebermann, H. H. Rapid Solidified Alloys: Processes, Structures, Properties, Applications; Dekker: New York, 1993.
32. Sheng, H. W.; He, J. H.; Ma, E. Phys. Rev. B 2002, 65, 184203.
33. He, J. H.; Sheng, H. W.; Schilling, P. J.; Chien, C. L.; Ma, E. Phys. Rev. Lett. 2001, 86, 2826.
34. Hillert, M. Phase equilibria, phase diagrams and phase transformations: a thermodynamic basic; Cambridge University Press: New York, 1998.
35. Guo, H. B.; Liu, B. X. J. Mater. Res. 2004, 19, 1364.
36. Li, J. H.; Guo, H. B.; Kong, L. T.; Liu, B. X. Prediction of metastable phase formation in the Ni-Ru system by ab initio and molecular dynamics calculations. Phys. Rev. B. Submitted for publication.
37. Li, J. H.; Kong, L. T.; Liu, B. X. Structural transition and glass-forming ability of the Ni-Hf system studied by molecular dynamics simulation. J. Mater. Res. Submitted for publication.
38. Li, J. H.; Guo, H. B.; Liu, B. X. Crystallographic and lattice point correlations of a new hcp-to-fco martensitic transformation observed in the Ni-Hf system. ACTA Mater. Submitted for publication.
39. Haasen, P. Physical Metallurgy, 3rd ed.; Cambridge University Press: Cambridge, UK, 1996.
40. Thomson, J. R.; Politis, C.; Kim, Y. C. Mater. Sci. Eng. 1988, 97, 31.
41. Rossum, M.; Nicolet, M-A.; Johnson, W. L. Phys. Rev. B 1984, 29, 5498.