Calculation of point-defect entropy in metals

Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties

Volumn 81, Issue 11, 2001, Pages 2591-2612

  Mishin, Yuri ^a   Sørensen, Mads R ^b   Voter, Arthur F ^b  

^a George Mason University   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BOUNDARY CONDITIONS; CRYSTAL LATTICES; ELASTICITY; ENTROPY; LATTICE VIBRATIONS; MATRIX ALGEBRA;

EMBEDDED-CLUSTER METHODS;

POINT DEFECTS;

EID: 0035498379     PISSN: 01418610     EISSN: None     Source Type: Journal    
DOI: 10.1080/01418610108216657     Document Type: Article

References (27)

1. Catlow, C. R. A., 1997, New Trends in Materials Chemistry, edited by C. R. A. Catlow and A. Cheetham (Dordrecht: Kluwer), p. 141.
2. Catlow, C. R. A., Corish, J., Jacobs, P. W. M., and Lidiard, A. B., 1981, J. Phys. C, 14, LI 21.
3. Debiaggi, S. B., Decorte, P. M., and Monti, A. M., 1996, Phys. Stat. sol. (b), 195, 37.
4. De Lorenzi, G., and Jacucci, G., 1986, Phys. Rev. B, 33, 1993.
5. Eshelby, J. D., 1956, Solid St. Phys., 3, 79.
6. Fernandez, J. R., and Monti, A. M., 1993, Phys. Stat. sol. (b), 179, 337.
7. Fernandez, J. R., Monti, A. M., and Psianot, R. C., 1996, J. nucl. Mater., 229, 1.
8. Fernandez, J. R., Monti, A. M., and Psianot, R. C., 2000, Phys. status solidi (b), 219, 245.
9. Finnis, M. W., and Sachdev, M., 1976, J. Phys. F, 6, 965.
10. Flynn, C. P., 1972, Point Defects and Diffusion (Oxford: Clarendon).
11. Foiles, S. M., 1994, Phys. Rev. B, 49, 14930.
12. Foiles, S. M., and Adams, J. B., 1989, Phys. Rev. B, 40, 5909.
13. Frank, W., Breier, U., Elsässer, C., and Fähnle, M., 1996, Phsy. Rev. Lett., 77, 518.
14. Gillan, M. J., 1981, Phil. Mag. A, 43, 301.
15. Harding, J. H., 1990, Rep. Prog. Phys., 53, 1403.
16. Hatcher, R. D., Zeller, R., and Dederichs, P. H., 1979, Phys. Rev. B, 19, 5083.
17. Kohn, W., and Sham, L. J 1965, Phys. Rev., 140, A1133.
18. Landau, L. D., and Lifshitz, E. M., 1980, Statistical Physics, Part 1, third edition (Oxford: Pergamon); 1986, Theory of Elasticity, third edition (Oxford: Pergamon).
19. LeSar, R., Najafabadi, R., and Srolovitz, D. J., 1989, Phys. Rev. Lett., 63, 624.
20. Sutton, A. P 1989, Phil. Mag. A, 60, 147.
21. Sutton, A. P 1992, Phil. Trans. R. Soc. A, 341, 233.
22. Sutton, A. P., and Vitek, V., 1982, Acta metall., 30, 2011.
23. Sutton, A. P., and Vitek, V., 1983, Phil. Trans. R. Soc. A, 309, 1
24. Vineyard, G. H 1957, J. Phys. Chem. Solids, 3, 121.
25. Voter, A. F., 1993, Unclassified Technical Report LA-UR 93-3901 Los Alamos National Laboratory.
26. Voter, A. F., 1994, Intermetallic Compounds, Vol. 1 (New York: Wiley), chapter 4, p. 77.
27. Voter, A. F., 1998, Phys. Rev. B, 57, 13985.