Modeling and simulation of nuclear fuel materials

Energy and Environmental Science

Volumn 3, Issue 10, 2010, Pages 1406-1426

  Devanathan, Ram ^a   Van Brutzel, Laurent ^b   Chartier, Alain ^b   Guéneau, Christine ^b   Mattsson, Ann E ^c   Tikare, Veena ^c   Bartel, Timothy ^c   Besmann, Theodore ^d   Stan, Marius ^e   Van Uffelen, Paul ^f  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b DIF   (France)

^c SANDIA NATIONAL LABORATORIES   (United States)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

^e LOS ALAMOS NATIONAL LABORATORY   (United States)

^f JOINT RESEARCH CENTRE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACCIDENT SCENARIOS; ADVANCED REACTORS; CONTINUUM LEVEL; DISTANCE SCALE; ELECTRONIC STRUCTURE CALCULATIONS; EXPERIMENTAL VALIDATIONS; EXTREME CONDITIONS; GLOBAL ENERGY DEMAND; MODELING AND SIMULATION; MULTISCALE MODELING SCHEMES;

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; ENERGY MANAGEMENT; MATERIALS HANDLING; NUCLEAR ENERGY; NUCLEAR FUELS; PLANT LAYOUT; RADIOACTIVE MATERIALS;

NUCLEAR REACTOR ACCIDENTS;

ALTERNATIVE FUEL; ENERGY RESOURCE; GLOBAL PERSPECTIVE; MODEL TEST; NUCLEAR POWER; RADIOACTIVITY; URANIUM;

EID: 78649344895     PISSN: 17545692     EISSN: 17545706     Source Type: Journal    
DOI: 10.1039/c0ee00028k     Document Type: Review

References (143)

1. M. Stan Mater. Today 2009 12 11 20 28
2. Y. Baer J. Schoenes Solid State Commun. 1980 33 885 888
3. V. A. Gubanov A. Rosén D. E. Ellis Solid State Commun. 1977 22 219 223
4. W. Kohn L. J. Sham Phys. Rev. 1965 140 A1133 A1138
5. V. I. Anisimov I. V. Solovyev M. A. Korotin M. T. Czyżyk G. A. Sawatzky Phys. Rev. B: Condens. Matter 1993 48 16929 16934
6. S. L. Dudarev G. A. Botton S. Y. Savrasov Z. Szotek W. M. Temmerman A. P. Sutton Phys. Status Solidi A 1998 166 429 443
7. J. P. Perdew J. A. Chevary S. H. Vosko K. A. Jackson M. R. Pederson D. J. Singh C. Fiolhais Phys. Rev. B: Condens. Matter 1992 46 6671 6687
8. G. Schreckenbach G. A. Shimov Acc. Chem. Res. 2010 43 19 29
9. M. Freyss T. Petit J.-P. Crocombette J. Nucl. Mater. 2005 347 44 51
10. M. Iwasawa Y. Chen Y. Kaneta T. Ohnuma H.-Y. Geng M. Kinoshita Mater. Trans. 2006 47 2651 2657
11. P. Nerikar T. Watanabe J. S. Tulenko S. R. Phillpot S. B. Sinnott J. Nucl. Mater. 2009 384 61 69
12. D. A. Andersson T. Watanabe C. Deo B. P. Uberuaga Phys. Rev. B: Condens. Matter Mater. Phys. 2009 80 060101
13. J. Yu R. Devanathan W. J. Weber J. Phys.: Condens. Matter 2009 21 435401
14. F. Gupta A. Pasturel G. Brillant Phys. Rev. B: Condens. Matter Mater. Phys. 2010 81 014110
15. M. Freyss N. Vergenet T. Petit J. Nucl. Mater. 2006 352 144 150
16. D. Gryaznov E. Heifets E. Kotomin Phys. Chem. Chem. Phys. 2009 11 7241 7247
17. A. E. Mattsson Science 2002 298 759 760
18. R. M. Dreizler and E. K. U. Gross, Density Functional Theory: An Approach to the Quantum Many-Body Problem, Springer-Verlag, Berlin, 1990
19. J. B. Gibson A. N. Goland M. Milgram G. H. Vineyard Phys. Rev. 1960 120 1229 1253
20. L. Van Brutzel J. M. Delaye D. Ghaleb M. Rarivomanantsoa Philos. Mag. 2003 83 4083 4101
21. L. Van Brutzel M. Rarivomanantsoa D. Ghaleb J. Nucl. Mater. 2006 354 28 35
22. L. Van Brutzel M. Rarivomanantsoa J. Nucl. Mater. 2006 358 209 221
23. G. Martin S. Maillard L. Van Brutzel P. Garcia B. Dorado C. Valot J. Nucl. Mater. 2009 385 351 357
24. R. Devanathan J. Yu W. J. Weber J. Chem. Phys. 2009 130 174502
25. K. Govers S. Lemehov M. Hou M. Verwerft J. Nucl. Mater. 2007 366 161 177
26. K. Govers S. Lemehov M. Hou M. Verwerft J. Nucl. Mater. 2008 376 66 77
27. N. D. Morelon D. Ghaleb J. M. Delaye L. Van Brutzel Philos. Mag. 2003 83 1533 1550
28. Hj. Matzke J. Chem. Soc., Faraday Trans. 2 1987 83 1121 1142
29. J. P. Crocombette F. Jollet L. T. Nga T. Petit Phys. Rev. B: Condens. Matter Mater. Phys. 2001 64 104107
30. C. S. Becquart C. Domain A. Legris J. C. Van Duysen J. Nucl. Mater. 2000 280 73 85
31. J. F. Ziegler, J. P. Biersack and U. Littmark, The Stopping and Range of Ions in Matter, Pergamon, New York, 1985
32. Hj. Matzke J. Whitton J. Phys. 1966 44 995 1010
33. J. P. Stout, G. R. Lumpkin, R. C. Ewing, and Y. Eyal, Mater. Res. Soc. Symp. Proc., 112, Material Research Society, Pittsburgh, 1988, p495
34. R. Devanathan Nucl. Instrum. Methods Phys. Res., Sect. B 2009 267 3017 3021
35. L. Van Brutzel A. Chartier J. P. Crocombette Phys. Rev. B: Condens. Matter Mater. Phys. 2008 78 024111
36. A. Guglielmetti A. Chartier L. Van Brutzel J.-P. Crocombette K. Yasuda C. Meis S. Matsumura Nucl. Instrum. Methods Phys. Res., Sect. B 2008 266 5120 5125
37. A. Guglielmetti N. Pannier A. Chartier L. Van Brutzel Nucl. Instrum. Methods Phys. Res., Sect. B 2009 267 3118 3121
38. M. Norgett M. Robinson I. Torrens Nucl. Eng. Des. 1975 33 50 54
39. J. Soullard A. Alamo Radiat. Eff. Defects Solids 1978 38 133 139
40. J. Soullard J. Nucl. Mater. 1985 135 190 196
41. T. Diaz de la Rubia M. W. Guinan Mater. Sci. Forum 1992 97-99 23 42
42. R. E. Stoller, in, I. Roberston, L. Rehn, S. Zinkle, and, W. Phythian, Editors, Microstructure of Irradiated Materials, MRS Symposium Proceedings, 373, Material Research Society, Pittsburgh, 1995, p 21-26
43. J. C. Turbatte and J. Ruste, Internal report EDF, HT-41/96-019/A, 1996
44. F. Gao D. J. Bacon Philos. Mag. A 1995 71 43 64
45. A. Höh Hj. Matzke J. Nucl. Mater. 1973 48 157 164
46. J. A. Turnbull C. A. Friskney J. R. Findlay F. A. Johnson A. J. Walter J. Nucl. Mater. 1982 107 168 184
47. W. H. Hocking R. A. Verrall I. J. Muir J. Nucl. Mater. 2001 294 45 52
48. L. Van Brutzel and J.-P. Crocombette, in, J. Aktaa, M. Samaras, M. S. de Caro, M. Victoria, and, B. Wirth, Editors, Structural and Refractory Materials for Fusion and Fission Technologies, MRS Symposium Proceedings, 981E, Material Research Society, Pittsburgh, 2007, 0981-JJ01-01
49. G. Martin, P. Garcia, C. Sabathier, L. Van Brutzel, F. Garrido, and S. Maillard, submitted to Phys. Rev. Lett.
50. C. B. Basak A. K. Sengupta H. S. Kamath J. Alloys Compd. 2003 360 210 216
51. D. S. Aidhy P. C. Millett T. Desai D. Wold S. R. Phillpot Phys. Rev. B: Condens. Matter Mater. Phys. 2009 80 104107
52. M. R. Sørensen A. F. Voter J. Chem. Phys. 2000 112 9599 9606
53. T. Ichinomiya B. P. Uberuaga K. E. Sickafus Y. Nishiura M. Itakura Y. Chen Y. Kaneta M. Kinoshita J. Nucl. Mater. 2009 384 315 321
54. E. Yakub C. Ronchi D. Staicu J. Nucl. Mater. 2009 389 119 126
55. H. Y. Geng Y. Chen Y. Kaneta M. Kinoshita J. Alloys Compd. 2008 457 465 471
56. F. Pietrucci M. Bernasconi A. Laio M. Parrinello Phys. Rev. B: Condens. Matter Mater. Phys. 2008 78 094301
57. R. Devanathan W. J. Weber S. C. Singhal J. D. Gale Solid State Ionics 2006 177 1251 1258
58. R. L. Fleischer P. B. Price R. M. Walker E. L. Hubbard Phys. Rev. 1967 156 353 355
59. E. M. Bringa R. E. Johnson Phys. Rev. Lett. 2002 88 165501
60. R. Devanathan P. Durham J. Du L. R. Corrales E. M. Bringa Nucl. Instrum. Methods Phys. Res., Sect. B 2007 255 172 176
61. Y. Sasajima T. Akabane T. Nakazawa A. Iwase Nucl. Instrum. Methods Phys. Res., Sect. B 2007 264 259 266
62. D. A. Young Nucl. Instrum. Methods Phys. Res., Sect. B 2006 252 175 182
63. J.-P. Crocombette Nucl. Instrum. Methods Phys. Res., Sect. B 2009 267 3152 3154
64. D. Duffy S. Khakshouri A. M. Rutherford Nucl. Instrum. Methods Phys. Res., Sect. B 2009 267 3050 3054
65. E. Vincent-Aublant J. M. Delaye L. Van Brutzel J. Nucl. Mater. 2009 392 114 120
66. E. C. Dickey F. Xundong S. J. Pennycook J. Am. Ceram. Soc. 2001 84 1361 1368
67. L. Van Brutzel E. Vincent-Aublant J. Nucl. Mater. 2008 377 522 527
68. V. Pavankumar, PhD Thesis, 2005, oai:etd.lsu.edu:etd-06292005-160447
69. P. Tiwary A. van de Walle N. Grønbech-Jensen Phys. Rev. B: Condens. Matter Mater. Phys. 2009 80 174302
70. A. C. T. van Duin B. V. Merinov S. S. Jang W. A. Goddard III J. Phys. Chem. A 2008 112 3133 3140
71. M. Abramowski R. W. Grimes S. Owens J. Nucl. Mater. 1999 275 12 18
72. T. R. Mattsson M. D. Lane K. R. Cochrane M. P. Desjarlais A. P. Thompson F. Pierce G. S. Grest Phys. Rev. B: Condens. Matter Mater. Phys. 2010 81 054103
73. D. C. Parfitt R. W. Grimes J. Nucl. Mater. 2009 392 28 34
74. D. Schwen M. Huang P. Bellon R. S. Averback J. Nucl. Mater. 2009 392 35 39
75. S. Y. Hu C. H. Henager Jr. H. L. Heinisch M. Stan M. I. Baskes S. M. Valone J. Nucl. Mater. 2009 392 292 300
76. C. C. Battaile D. J. Srolovitz J. E. Butler J. Appl. Phys. 1997 82 6293 6300
77. H. Huang G. H. Gilmer T. Diaz de la Rubia J. Appl. Phys. 1998 84 3636 3649
78. M. P. Anderson D. J. Srolovitz G. S. Grest P. S. Sahni Acta Metall. 1984 32 783 791
79. E. A. Holm J. A. Glazier D. J. Srolovitz G. S. Grest Phys. Rev. A: At., Mol., Opt. Phys. 1991 43 2662 2668
80. E. A. Holm G. N. Hassold M. A. Miodownik Acta Mater. 2001 49 2981 2991
81. E. A. Holm M. A. Miodownik A. D. Rollett Acta Mater. 2003 51 2701 2716
82. M. Miodownik J. W. Martin A. Cerezo Philos. Mag. A 1999 79 203 222
83. V. Tikare M. Miodownik E. A. Holm J. Am. Ceram. Soc. 2001 84 1379 1385
84. V. Tikare J. D. Cawley Acta Mater. 1998 46 1343 1356
85. G. N. Hassold I.-W. Chen D. J. Srolovitz J. Am. Ceram. Soc. 1990 73 2857 2864
86. V. Tikare M. Braginsky E. A. Olevsky J. Am. Ceram. Soc. 2003 86 49 53
87. M. Braginsky V. Tikare E. Olevsky Int. J. Solids Struct. 2005 42 621 636
88. V. Tikare M. Braginsky D. Bouvard A. Vagnon Comput. Mater. Sci. 2010 48 317 325
89. A. E. Lobkowsky A. Karma M. I. Mendelev M. Haataja D. J. Srolovitz Acta Mater. 2004 52 285 292
90. A. L. Garcia V. Tikare E. A. Holm Scr. Mater. 2008 59 6 661 664
91. A. D. Rollett D. J. Srolovitz M. P. Anderson R. D. Doherty Acta Metall 1992 40 3475 3495
92. E. A. Holm M. A. Miodownik A. D. Rollett Acta Mater. 2003 51 2701 2716
93. A. D. Rollett M. J. Luton D. J. Srolovitz Acta Metall 1992 40 43 55
94. 2 Nuclear Fuels, MMSNF-8, Albuquerque, NM, October 2009
95. V. Tikare M. Braginsky D. Bouvard A. Vagnon Comput. Mater. Sci. 2010 48 317 325
96. W. J. Boettinger J. A. Warren C. Beckermann A. Karma Annu. Rev. Mater. Res. 2002 32 163 194
97. S. Y. Hu Y. L. Li X. Sun F. Gao R. Devanathan C. H. Henager Jr. M. Khaleel Intl. J. Mater. Res. 2010 101 515 522
98. M. J. Welland B. J. Lewis W. T. Thompson J. Nucl. Mater. 2008 376 229 239
99. S. Y. Hu C. H. Henager Jr. J. Nucl. Mater. 2009 394 155 159
100. S. Y. Hu C. H. Henager Jr. J. Cryst. Growth 2009 311 3184 3194
101. S. Y. Hu L. Q. Chen Acta Mater. 2001 49 463 472
102. Y. L. Li S. Y. Hu Z. K. Liu L. Q. Chen Acta Mater. 2002 50 395 411
103. V. Vaithyanathan L. Q. Chen Acta Mater. 2002 50 4061 4073
104. L. Q. Chen Annu. Rev. Mater. Res. 2002 32 113 140
105. J. Z. Zhu Z. K. Liu V. Vaithyanathan L. Q. Chen Scr. Mater. 2002 46 401 406
106. H. L. Lukas, S. G. Fries and B. Sundman, The Calphad Method, Cambridge University Press, Cambridge, 2007
107. M. Stan J. C. Ramirez P. Cristea S. Y. Hu C. Deo B. P. Uberuaga S. Srivilliputhur S. P. Rudin J. M. Wills J. Alloys Compd. 2007 444-445 415 423
108. J. W. Hastie, E. R. Plante and D. W. Bonnell, Vaporization of Simulated Nuclear Waste Glass, NBSIR 83, Gaithersburg, MD, 1983, 2731
109. J. W. Hastie Pure Appl. Chem. 1984 56 1583 1600
110. J. W. Hastie D. W. Bonnell High Temp. Sci. 1985 19 275 306
111. D. W. Bonnell J. W. Hastie High Temp. Sci. 1989 26 313 334
112. B. Sundman J. Agren J. Phys. Chem. Solids 1981 42 297 301
113. T. B. Lindemer T. M. Besmann J. Nucl. Mater. 1985 130 473 488
114. T. M. Besmann T. B. Lindemer J. Nucl. Mater. 1985 130 489 504
115. T. M. Besmann T. B. Lindemer J. Nucl. Mater. 1986 137 292 293
116. T. M. Besmann J. Nucl. Mater. 1987 144 141 150
117. B. J. Lewis F. A. Thompson D. M. Thompson C. Thurgood J. Higgs J. Nucl. Mater. 2004 328 180 196
118. P. Y. Chevalier E. Fischer B. Cheyenet J. Nucl. Mater. 2002 303 1 28
119. C. Guéneau M. Baichi D. Labroche C. Chatillon B. Sundman J. Nucl. Mater. 2002 304 161 175
120. M. Hillert J. Alloys Compd. 2001 320 161 176
121. P. Y. Chevalier E. Fischer B. Cheyenet Comput. Coupling Phase Diag. Thermochem. 2004 28 15 40
122. H. Kinoshita D. Setoyama Y. Saito M. Hirota M. Kurosaki M. Uno S. Yamanaka J. Chem. Thermodyn. 2003 35 719 731
123. T. M. Besmann J. Nucl. Mater. 2010 397 69 73
124. P. Cristea M. Stan J. C. Ramirez J. Optoelectr. Advanced Mater. 2007 9 1750 1756
125. A. Nakamura T. Fujino J. Nucl. Mater. 1989 167 36
126. C. Guéneau C. Chatillon B. Sundman J. Nucl. Mater. 2008 378 257 272
127. V. Ozolins Phys. Rev. Lett. 2009 102 065702
128. M. Zinkevich, Computational Thermodynamics: Learning, Doing and Using, Presentation at the International Max Planck Research School for Advanced Materials: Theoretical and Computational Materials Science, 1st Summer School, Stuttgart, Germany, 2003
129. C. Guéneau, S. Chatain, J. C. Duams, J. Lechelle, C. Rado, F. Defoort, N. Dupin, B. Sundman, H. Noel and R. Konings, Proceedings HTR2006: 3rd International Topical Meeting on High Temperature Reactor Technology, Johannesburg, South Africa, 2006
130. S. Yamanaka H. Kinoshita K. Kurosaki J. Nucl. Mater. 2004 326 185 194
131. P. Van Uffelen C. Gyri A. Schubert J. van de Laar Z. Hózer G. Spykman J. Nucl. Mater. 2008 383 137 143
132. B. Mihaila M. Stan J. C. Ramirez A. Zubelewicz P. Cristea J. Nucl. Mater. 2009 394 182 189
133. B. J. Lewis W. T. Thompson F. Akbari D. M. Thompson C. Thurgood J. Higgs J. Nucl. Mater. 2004 328 180 196
134. M. Stan J. Nucl. Eng. Tech. 2009 41 39 52
135. C. Ronchi High Temp. 2007 45 552 571
136. M. Suzuki and H. Saitou, Light Water Reactor Fuel Analysis Code FEMAXI-6 (Ver.1), 2006, JAEA
137. J. Rashid, Behavioral modeling of LWR fuel as represented in the FALCON code, in Workshop on Materials Modeling and Simulations for Nuclear Fuel, 2003. New Orleans, USA
138. F. Bentejac and N. Hourdequin, TOUTATIS, an application of the CAST3M finite element code for PCI three-dimensional modeling, in International Seminar on Pellet-Clad Interaction in Water Reactor Fuels. 2004. Aix-en-Provence, France
139. G. Thouvenin, B. Michel, J. Sercombe, D. Plancq and P. Thevenin, Multidimensional modeling of a ramp test with the PWR performance code ALCYONE, Proceedings of the 2007 International LWR Fuel Performance Meeting, San Francisco, CA, 2007, paper 1044
140. B. Liu T. Liang C. Tang A review of TRISO-coated particle nuclear fuel performance models, Rare Metals 2006 25 337 342
141. T. Watanabe S. G. Srivilliputhur P. K. Schelling J. S. Tulenko S. B. Sinnott S. R. Phillpot J. Am. Ceram. Soc. 2009 92 850 856
142. E. A. Kotomin Yu. A. Mastrikov S. N. Rashkeev P. Van Uffelen J. Nucl. Mater. 2009 393 292 299
143. C. Newman G. Hansen D. Gaston J. Nucl. Mater. 2009 392 6 15