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Advanced Computational Mtls Science - Appl to Fission,

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Potentials for multi-component systems have been developed in isolated cases, but the predictive capability of these potentials is typically disappointing. Reasonable models for the mission-critical helium impurities exist or are under development. There are at least two challenges in the development of potentials in alloy systems. First, there is generally much less fundamental data available, although this can be rectified through the use of ab initio calculations. Second, the appropriate functional forms are not as well developed.

30 (2002) 37. 5. M. K. Miller, D. T. Hoelzer, S. S. Babu, E. A. Kenik, and K. F. Russell, in High Temperature Alloys: Processing for Properties, G. E. Fuchs and J. B. , to be published in Met. , 2004. 6. S. Ukai, M. Fujiwara, J. Nucl. Mater. 307-311 (2002) 749. 7. R. E. Stoller, P. J. Maziasz, A. F. Rowcliffe and M. P. Tanaka, J. Nucl. Mater. 155-157 (1988) 1328-1334. 8. E. A. Kenik and E. H. Lee, in Phase Stability Under Irradiation, J. R. Holland, L. K. Mansur, and D. I. , AIME, New York, 1981, pp.

307-311 (2002) 749. 7. R. E. Stoller, P. J. Maziasz, A. F. Rowcliffe and M. P. Tanaka, J. Nucl. Mater. 155-157 (1988) 1328-1334. 8. E. A. Kenik and E. H. Lee, in Phase Stability Under Irradiation, J. R. Holland, L. K. Mansur, and D. I. , AIME, New York, 1981, pp. 493-503. 9. J. D. Hunn, E. H. Lee, T. S. Byun, and L. K. Mansur, J. Nucl. Mater. 282 (2000) 131-136. 10. J. D. Hunn, M. B. Lewis, and E. H. Lee, in Proceedings of the Second International Topical Meeting on Nuclear Applications of Accelerator Technology, American Nuclear Society, La Grange Park, 1998, pp.

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