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MRS Online Proceedings Library (OPL) MRS Online Proceedings Library (OPL)

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Atomistic and Kinetic Simulations of Radiation Damage in Molybdenum

Published online by Cambridge University Press:  26 September 2012

Zeke Insepov ,
Jeffrey Rest ,
Abdellatif M. Yacout ,
Bei Ye ,
Di Yun ,
Alexey Y Kuksin ,
Genri E Norman ,
Vladimir V Stegailov  and
Alexey V Yanilkin
Zeke Insepov
Affiliation:
Argonne National Laboratory, Argonne, Illinois, USA
Jeffrey Rest
Affiliation:
Argonne National Laboratory, Argonne, Illinois, USA
Abdellatif M. Yacout
Affiliation:
Argonne National Laboratory, Argonne, Illinois, USA
Bei Ye
Affiliation:
Argonne National Laboratory, Argonne, Illinois, USA
Di Yun
Affiliation:
Argonne National Laboratory, Argonne, Illinois, USA
Alexey Y Kuksin
Affiliation:
Joint Institute for High Temperatures, Moscow, Russian Federation
Genri E Norman
Affiliation:
Joint Institute for High Temperatures, Moscow, Russian Federation
Vladimir V Stegailov
Affiliation:
Joint Institute for High Temperatures, Moscow, Russian Federation
Alexey V Yanilkin
Affiliation:
Joint Institute for High Temperatures, Moscow, Russian Federation
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Abstract

A new Mo potential, developed recently by using an ab initio quantum mechanics theory, was used to study formation and time evolution of radiation defects, such as self-interstitial atoms (SIAs), vacancies, and small clusters of SIAs, using molecular dynamics (MD). MD models were developed for calculation of the diffusion coefficients of vacancies, self-interstitials, and small dislocation loops containing 2 to 37 SIAs; and the rate constants were calculated. Interactions of small SIA loops with SIAs were simulated. The results show that rotation of SIA from one <111> to another equivalent direction is an important mechanism that significantly contributes to kinetic coefficients.

Keywords

diffusion defects nuclear materials
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1444: Symposium S/Y – Actinides and Nuclear Energy Materials , 2012 , mrss12-1444-s08-04
Copyright
Copyright © Materials Research Society 2012. This is a work of the U.S. Government and is not subject to copyright protection in the United States.

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References

[1] Rest, J., J. Nucl. Mat. 277, 231(2000).CrossRefGoogle Scholar
[2] Wirth, B.D., Odette, G.R., Maroudas, D., Lucas, G.E., J. Nucl. Mat. 276, 33 (2000).CrossRefGoogle Scholar
[3] Marian, J., Wirth, B. D., Caro, A., Sadigh, B., Odette, G. R., Perlado, J. M., and Diaz de la Rubia, T., Phys Rev B 65, 144102 (2002).CrossRefGoogle Scholar
[4] Osetsky, Yu. N.; Bacon, D. J.; Serra, A.; Singh, B. N.; Golubov, S. I., Phil. Mag. 83, 61 (2003).CrossRefGoogle Scholar
[5] Terentyev, D. A., Malerba, L., and Hou, M., Phys. Rev. B 75, 104108 (2007).CrossRefGoogle Scholar
[6] Arakawa, K., Ono, K., Isshiki, M., Mimura, K., Uchikoshi, M., Mori, H., Science 318, 956 (2007).CrossRefGoogle Scholar
[7] Soneda, N., Diaz de La Rubia, T., Phil. Mag. A 81:2, 331 (2001).CrossRefGoogle Scholar
[8] Osetsky, Yu. N., Bacon, D.J., Serra, A., Singh, B.N., Golubov, S.I., J. Nucl. Mater. 276, 65 (2000).CrossRefGoogle Scholar
[9] Matsukawa, Y., Zinkle, S. J., Science 318, 959 (2007).CrossRefGoogle Scholar
[10] Brailsford, A. D., Bullough, R., Phil. Trans. R. Soc. London A 302, 87 (1981).CrossRefGoogle Scholar
[11] Yun, D., Hofman, G. L., Kim, Y. S., Yacout, A. M., Stan, M., Finite Element Modeling of Irradiation Induced Swelling and Creep in Metallic Mini-plate Fuel – A Preliminary Study, Trans. Am. Nucl. Soc.; 2011 American Nuclear Society (ANS) Winter Meeting and Nuclear Technology Expo;Washington D.C. ;Oct. 30, 2011-Nov. 3, 201 Google Scholar
[12] Starikov, S. V., Insepov, Z., Rest, J., Kuksin, A. Yu., Norman, G. E., Stegailov, V. V., Yanilkin, A. V., Phys. Rev. B 84, 104109 (2011).CrossRefGoogle Scholar
[13] Plimpton, S. J.: J. Comp. Phys. 117, 1 (1995).CrossRefGoogle Scholar
[14] Kidson, G.V.: J. Nucl. Mat. 118, 115 (1983).CrossRefGoogle Scholar
[15] Maier, K., Mehrer, H., and Rein, G., Z.f.Metallk., 70, 271 (1979).Google Scholar
[16] Federov, G.B., Smirnov, E.A., Gusev, V.N., Zhomov, F.I. and Gorbenko, V.L., in Metallurgy and Materials Science of Pure Metals, Atomizdat, Moscow, 10, 62 (1973).Google Scholar
[17] Yanilkin, A., Insepov, Z., Norman, G., Rest, J., Stegailov, V., Proc. of DIMAT Conf. (2011).Google Scholar
[18] Insepov, Z., Kuksin, A.Yu., Rest, J., Starikov, S., Yanilkin, A., Yacout, A.M., Ye, B., Yun, D., arXiv:1203.0327v1 [cond-mat.mtrl-sci] (2012).Google Scholar
[19] Phillipp, F., Phys. Stat. Sol. (a) 104, 329 (1987).CrossRefGoogle Scholar
[20] Ye, B., Yun, D., Insepov, Z., Rest, J., presented at the 2012 MRS Spring Meeting, San Francisco, CA, 2012 (unpublished).Google Scholar

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