Skip to main content
SpringerLink
Log in

A perspective on coupled multiscale simulation and validation in nuclear materials

  • Technical Feature
  • Published:
MRS Bulletin Aims and scope Submit manuscript

Abstract

The field of nuclear materials encompasses numerous opportunities to address and ultimately solve longstanding industrial problems by improving the fundamental understanding of materials through the integration of experiments with multiscale modeling and high-performance simulation. A particularly noteworthy example is an ongoing study of axial power distortions in a nuclear reactor induced by corrosion deposits, known as CRUD (Chalk River unidentified deposits). We describe how progress is being made toward achieving scientific advances and technological solutions on two fronts. Specifically, the study of thermal conductivity of CRUD phases has augmented missing data as well as revealed new mechanisms. Additionally, the development of a multiscale simulation framework shows potential for the validation of a new capability to predict the power distribution of a reactor, in effect direct evidence of technological impact. The material- and system-level challenges identified in the study of CRUD are similar to other well-known vexing problems in nuclear materials, such as irradiation accelerated corrosion, stress corrosion cracking, and void swelling; they all involve connecting materials science fundamentals at the atomistic- and meso-scales to technology challenges at the macroscale.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Figure 1
Figure 2
Figure 3

Similar content being viewed by others

Notes

  1. * MPO Advanced Materials/Boron Analyzer—Boron Deposition Model. “MPO” stands for materials performance and optimization, one of the five focus areas established by the Consortium for Advanced Simulation of Light Water Reactors.

  2. † This effective thermal conductivity can be estimated from microscale simulations by treating the CRUD as a homogeneous solid and calculating what its thermal conductivity would have to be based on the temperature difference across it.

  3. ‡ CRUD is typically composed of any number of the following phases: nickel metal, NiO, Fe3O4, NiFe2O4 (trevorite), and ZrO2. Boron-lithium compounds that form within its pores include LiBO2, Li2B4O7, B2O3, higher-order polymorphs of Li/B/O compounds, and Ni2FeBO5 (bonaccordite).

References

  1. J. Roberto, T. De La Rubia, “Basic Research Needs for Advanced Nuclear Energy Systems” (US DOE, 2006).

  2. T. Allen, H. Burlet, R.K. Nanstad, M. Samaras, S. Ukai, MRS Bull. 34 (1), 20 (2009).

    Google Scholar 

  3. S.J. Zinkle, G.S. Was, Acta Mater. 61 (3), 735 (2013).

    Google Scholar 

  4. Y. Guerin, G.S. Was, S.J. Zinkle, MRS Bull. 34, 10 (2009).

    Google Scholar 

  5. A. Misra, L. Thilly, MRS Bull. 35, 965 (2010).

    Google Scholar 

  6. D. Gaston, C. Newman, G. Hansen, D. Lebrun-Grandié, Nucl. Eng. Des. 239 (10), 1768 (2009).

    Google Scholar 

  7. M. Tonks, D. Gaston, P. Millet, D. Andrs, T. Paul, Comput. Mater. Sci. 51 (1), 20 (2012).

    Google Scholar 

  8. D. Gaston, C. Permann, in International Conference on Mathematics and Computational Methods Applied to Nuclear Science & Engineering (M&C 2013), (Sun Valley, ID, 2013).

  9. US Department of Energy; www.casl.gov (accessed July 10, 2013).

  10. J. Deshon, D. Hussey, B. Kendrick, J. McGurk, J. Secker, M.P. Short, JOM 63 (8), 366 (2012).

    Google Scholar 

  11. M.P. Short, D. Hussey, B. Kendrick, T. Besmann, C. Stanek, S. Yip, J. Nucl. Mater. 443 (1–3), 579 (2013).

    Google Scholar 

  12. R. Adamson, F. Garzarolli, B. Cox, A. Strasser, ZIRAT Special Topic Report: Corrosion Mechanisms in Zirconium Alloys (ANT International Skultuna, Sweden, 2007).

  13. Quantitative Micro-Nano Working Group, www.staehleconsulting.com (2013).

  14. F.A. Garner, D.S. Gelles, in Proceedings of Symposium on Effects of Radiation on Materials: 14th International Symposium; ASTM STP 1046 (Philadelphia, 1990).

  15. F.A. Garner, in Comprehensive Nuclear Materials 4, R.J.M. Konings, Ed. (Elsevier, Amsterdam, 2012), pp. 33–95.

  16. S. Yip, M.P. Short, Nat. Mater. 12, 774–777 (2013), doi:10.1038/nmat3746.

  17. PWR Axial Offset Anomaly (AOA) Guidelines, Revision 1, EPRI, Palo Alto, CA, 2004 (1008102) .

  18. P. Combrade, P. Scott, M. Foucault, E. Andrieu, P. Marcus, Proceedings of the 12th International Conference on Environmental Degradation of Materials in Nuclear Power Systems (Salt Lake City, UT, 2005).

  19. J.-W. Yeon, I.-K. Choi, K.-K. Park, H.-M. Kwon, K. Song, J. Nucl. Mater. 404 (2), 160 (2010).

    Google Scholar 

  20. C.F.C. Neves, G.M. Alvial, M.M.A. Schvartzman, L.F.F. Alves, R.G. Paula, Energy Mater. 3 (2), 126 (2008).

    Google Scholar 

  21. H. Bindra, B.G. Jones, Colloids Surf. A 397, 85 (2012).

    Google Scholar 

  22. D. Wells, “EPRI Chemistry and Radiation Management PWR Primary Water Chemistry Guidelines Revision Project Updates—Optimized Fuel Crud and SRMP Revision,” in EPRI P-TAC Summer Meeting (EPRI, Atlanta, GA, 2012).

  23. J. Henshaw, J. McGurk, H.E. Sims, A. Tuson, S. Dickinson, J. Deshon, J. Nucl. Mater. 353 (1–2), 1 (2006).

    Google Scholar 

  24. Modeling PWR Fuel Corrosion Product Deposition and Growth Process: Final Report, EPRI, Palo Alto, CA, 2005 (1011743).

  25. P. Cohen, AlChE. Symp. Ser. 70, 71 (1974).

    Google Scholar 

  26. C. Pan, B. Jones, A.J. Machiels, Nucl. Eng. Des. 99, 317 (1987).

    Google Scholar 

  27. I. Haq, N. Cinosi, M. Bluck, G. Hewitt, S. Walker, Nucl. Eng. Des. 241 (1), 155 (2011).

    Google Scholar 

  28. Simulated Fuel Crud Thermal Conductivity Measurements under Pressurized Water Reactor Conditions. EPRI, Palo Alto, CA, 2011 (1022896).

  29. J. Uhle, “Boiling Heat Transfer Characteristics of Steam Generator U-Tube Fouling” (Cambridge, MA, 1996).

  30. W.D. Kingery, J. Francl, R.L. Coble, T. Vasilos, J. Am. Ceram. Soc. 37 (2), 107 (1954).

    Google Scholar 

  31. “Thermal Expansion, Heat Capacity and Thermal Conductivity of Nickel Ferrite (NiFe2O4),” Los Alamos Technical Report, Number LA-UR-13–28786 (2013).

  32. President’s Information Technology Advisory Committee, “Computational Science—Ensuring America’s Competitiveness” (Arlington, VA, 2005).

  33. National Science Foundation, “Simulation-Based Engineering Science—Revolutionizing Engineering Science through Simulation” (Wiley, NY, 2006).

  34. B.S. Kirk, J.W. Peterson, R.H. Stogner, G.F. Carey, Eng. Comput. 22 (3–4), 237 (2006).

    Google Scholar 

  35. S. Balay, J. Brown, K. Buschelman, V. Eijkhout, W.D. Gropp, D. Kaushik, M. Knepley, L. Curfman McInnes, B. Smith, H. Zhang, “PETSc User’s Manual” (Argonne National Laboratory, TN, 2013).

  36. Y. Wang, in International Conference on Mathematics, Computational Methods & Reactor Physics (M&C 2013) (Sun Valley, ID, 2013).

  37. H. Zhang, L. Zou, D. Andrs, H. Zhao, R. Martineau, in International Conference on Mathematics and Computational Methods Applied to Nuclear Science & Engineering (M&C 2013) (Sun Valley, ID, 2013).

  38. R.L. Williamson, J.D. Hales, S.R. Novascone, M.R. Tonks, D.R. Gaston, C.J. Permann, D. Andrs, R.C. Martineau, J. Nucl. Mater. 423, 149 (2012).

    Google Scholar 

  39. D. Walter, B. Collins, V. Petrov, B.K. Kendrick, A. Manera, T. Downar, in The 15th International Topical Meeting on Nuclear Reactor Thermalhydraulics, NURETH-15 (Pisa, Italy, 2013).

  40. US Department of Energy, “From Quanta to the Continuum: Opportunities for Mesoscale Science” (2012).

  41. G.W. Crabtree, J.L. Sarrao, MRS Bull. 37, 1079 (2012).

    Google Scholar 

  42. R.B. Laughlin, D. Pines, J. Schmalian, B.P. Stojkovic, P. Wolynes, Proc. Natl. Acad. Sci. U.S.A. 97, 32 (2000).

    Google Scholar 

  43. G.S. Was, P.L. Andresen, JOM 44 (4), 8 (1992).

    Google Scholar 

  44. F. Garzarolli, R. Adamson, B. Cox, A. Strasser, in ZIRAT Special Topic Report: Corrosion Mechanisms in Zirconium Alloys (ANT International, Sweden, 2007).

  45. Idaho National Laboratory, “BISON Enables Complex Nuclear Fuel Modeling, Simulation,” https://inlportal.inl.gov/portal/server.pt/community/newsroom/257/feature_story_details/1269?featurestory=DA_612645 (accessed 2013).

  46. Evaluation of Fuel Clad Corrosion Product Deposits and Circulating Corrosion Products in PWRs, EPRI, Palo Alto, CA, and Westinghouse Electric Company, Pittsburgh, PA, 2004 (1009951).

Download references

Acknowledgments

The authors acknowledge funding from the Consortium for Advanced Simulation of LWRs (CASL) and laboratory directed research and development (LDRD) funding from the Idaho National Laboratory (INL). Thanks are due to Yaqi Wang and Andrew Slaughter for preparing calculations related to the fullcore simulation. The work would also not have been possible without the insight and technical expertise of Cody Permann, David Andrs, Rich Williamson, Richard Martineau (INL), David Andersson and Brian Kendrick (LANL), Brian Wirth (U. Tennessee), Don Brenner and Chris O’Brien (NCSU), Dennis Hussey (EPRI), and Zeses Karoutas and Jeff Secker (Westinghouse).

Author information

Authors and Affiliations

  1. MIT, Cambridge, MA, UK

    M. P. Short

  2. Idaho National Laboratory, USA

    D. Gaston

  3. Materials Science and Technology Division, Los Alamos National Laboratory, UK

    C. R. Stanek

  4. MIT, Cambridge, MA, UK

    S. Yip

Authors
  1. M. P. Short
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. D. Gaston
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. C. R. Stanek
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. S. Yip
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to M. P. Short.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Short, M.P., Gaston, D., Stanek, C.R. et al. A perspective on coupled multiscale simulation and validation in nuclear materials. MRS Bulletin 39, 71–77 (2014). https://doi.org/10.1557/mrs.2013.315

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1557/mrs.2013.315

Search

Navigation