Reuse & Permissions

It is not necessary to obtain permission to reuse this article or its components as it is available under the terms of the Creative Commons Attribution 4.0 International license. This license permits unrestricted use, distribution, and reproduction in any medium, provided attribution to the author(s) and the published article's title, journal citation, and DOI are maintained. Please note that some figures may have been included with permission from other third parties. It is your responsibility to obtain the proper permission from the rights holder directly for these figures.

Export citation

Export citation

Choose format for download:

Download Citation
  • Open Access

Athermal swelling and creep of heavily irradiated iron under uniaxial stress

Luca Stefanescu*

Max Boleininger and Pui-Wai Ma†

  • University College London, Department of Physics, Gower St, London, WC1E 6BT, United Kingdom

  • United Kingdom Atomic Energy Authority, Culham Science Centre, Abingdon, Oxfordshire, OX14 3DB, United Kingdom

  • *lucastu2013@gmail.com
  • †Corresponding author: Leo.Ma@ukaea.uk

Phys. Rev. Materials 7, 073604 – Published 13 July, 2023

DOI: https://doi.org/10.1103/PhysRevMaterials.7.073604

Abstract

The athermal irradiation-induced swelling and creep in iron under the influence of external uniaxial stress were investigated through atomic scale simulations using the creation-relaxation algorithm. The defect relaxation volume density tensors (or eigenstrains) were evaluated as a function of external uniaxial stress. When the dose exceeded the level at which isolated defects were formed, interstitial-type defect clusters were formed with polarization, resulting in crystal growth in the direction where tensile stress was applied, and growth in the other two perpendicular directions when compressive stress was applied. The concentration of vacancies, isolated self-interstitial atoms, Laves phases clusters, and dislocations in the microstructure were largely unaffected by external stress up to ±1 GPa. Biased crystal growth was primarily attributed to the anisotropic formation of new lattice planes through the coalescence of interstitial defect clusters, leading to plastic deformation depending on the direction and magnitude of the external stress.

View figure in article

Physics Subject Headings (PhySH)

Article Text

References (57)

  1. H. Tanigawa, E. Gaganidze, T. Hirose, M. Ando, S. Zinkle, R. Lindau, and E. Diegele, Development of benchmark reduced activation ferritic/martensitic steels for fusion energy applications, Nucl. Fusion 57, 092004 (2017).
  2. D. Stork, P. Agostini, J.-L. Boutard, D. Buckthorpe, E. Diegele, S. L. Dudarev, C. English, G. Federici, M. R. Gilbert, S. Gonzalez, A. Ibarra, C. Linsmeier, A. L. Puma, G. Marbach, L. W. Packer, B. Raj, M. Rieth, M. Q. Tran, D. J. Ward, and S. J. Zinkle, Materials R&D for a timely DEMO: Key findings and recommendations of the EU Roadmap Materials Assessment Group, Fusion Eng. Des. 89, 1586 (2014).
  3. F. A. Garner, M. B. Toloczko, and B. H. Sencer, Comparison of swelling and irradiation creep behavior of fcc-austenitic and bcc-ferritic/martensitic alloys at high neutron exposure, J. Nucl. Mater. 276, 123 (2000).
  4. D. S. Gelles, Void swelling in pFeCr alloys at 200 dpa, J. Nucl. Mater. 225, 163 (1995).
  5. M. Norgett, M. Robinson, and I. Torrens, A proposed method of calculating displacement dose rates, Nucl. Eng. Des. 33, 50 (1975).
  6. A. E. Sand, S. L. Dudarev, and K. Nordlund, High-energy collision cascades in tungsten: Dislocation loops structure and clustering scaling laws, Europhys. Lett. 103, 46003 (2013).
  7. A. E. Sand, K. Nordlund, and S. L. Dudarev, Radiation damage production in massive cascades initiated by fusion neutrons in tungsten, J. Nucl. Mater. 455, 207 (2014), Proceedings of the 16th International Conference on Fusion Reactor Materials (ICFRM-16).
  8. A. E. Sand, M. J. Aliaga, M. J. Caturla, and K. Nordlund, Surface effects and statistical laws of defects in primary radiation damage: Tungsten vs. iron, Europhys. Lett. 115, 36001 (2016).
  9. A. E. Sand, D. R. Mason, A. D. Backer, X. Yi, S. L. Dudarev, and K. Nordlund, Cascade fragmentation: Deviation from power law in primary radiation damage, Mater. Res. Lett. 5, 357 (2017).
  10. D. R. Mason, A. E. Sand, X. Yi, and S. L. Dudarev, Direct observation of the spatial distribution of primary cascade damage in tungsten, Acta Mater. 144, 905 (2018).
  11. X. Yi, A. E. Sand, D. R. Mason, M. A. Kirk, S. G. Roberts, K. Nordlund, and S. L. Dudarev, Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades, Europhys. Lett. 110, 36001 (2015).
  12. R. Alexander, M.-C. Marinica, L. Proville, F. Willaime, K. Arakawa, M. R. Gilbert, and S. L. Dudarev, Ab initio scaling laws for the formation energy of nanosized interstitial defect clusters in iron, tungsten, and vanadium, Phys. Rev. B 94, 024103 (2016).
  13. F. Hofmann, D. R. Mason, J. K. Eliason, A. A. Maznev, K. A. Nelson, and S. L. Dudarev, Non-contact measurement of thermal diffusivity in ion-implanted nuclear materials, Sci. Rep. 5, 16042 (2015).
  14. S. Cui, R. P. Doerner, M. J. Simmonds, C. Xu, Y. Wang, E. Dechaumphai, E. Fu, G. R. Tynan, and R. Chen, Thermal conductivity degradation and recovery in ion beam damaged tungsten at different temperature, J. Nucl. Mater. 511, 141 (2018), Special Section on 18th International Conference on Fusion Reactor Materials.
  15. A. Reza, H. Yu, K. Mizohata, and F. Hofmann, Thermal diffusivity degradation and point defect density in self-ion implanted tungsten, Acta Mater. 193, 270 (2020).
  16. A. Hasegawa, M. Fukuda, S. Nogami, and K. Yabuuchi, Neutron irradiation effects on tungsten materials, Fusion Eng. Des. 89, 1568 (2014), Proceedings of the 11th International Symposium on Fusion Nuclear Technology-11 (ISFNT-11) Barcelona, Spain, 15–20 September, 2013.
  17. M. Durrand-Charre, Microstructure of Steels and Cast Irons (Springer-Verlag, Berlin, 2003).
  18. E. Gaganidze, C. Petersen, E. Materna-Morris, C. Dethloff, O. J. Weiß, J. Aktaa, A. Povstyanko, A. Fedoseev, O. Makarov, and V. Prokhorov, Mechanical properties and TEM examination of RAFM steels irradiated up to 70 dpa in BOR-60, J. Nucl. Mater. 417, 93 (2011).
  19. C. Cabet, F. Dalle, E. Gaganidze, J. Henry, and H. Tanigawa, Ferritic-martensitic steels for fission and fusion applications, J. Nucl. Mater. 523, 510 (2019).
  20. K. Ochiai, S. Sato, H. Kondo, M. Ohta, M. Oyaidzu, M. Nakamura, S. Kwon, H. Tanigawa, T. Nozawa, A. Kasugai, K. Sakamoto, and S. Ishida, Conceptual design progress of advanced fusion neutron source, Nucl. Fusion 61, 025001 (2021).
  21. M. R. Gilbert, S. Zheng, R. Kemp, L. W. Packer, S. L. Dudarev, and J.-C. Sublet, Comparative assessment of material performance in demo fusion reactors, Fusion Sci. Technol. 66, 9 (2014).
  22. S. J. Zinkle, H. Tanigawa, and B. D. Wirth, Chapter 5 - radiation and thermomechanical degradation effects in reactor structural alloys, in Structural Alloys for Nuclear Energy Applications, edited by G. R. Odette and S. J. Zinkle (Elsevier, Boston, 2019), pp. 163–210.
  23. J. Matthews and M. Finnis, Irradiation creep models an overview, J. Nucl. Mater. 159, 257 (1988).
  24. K. Ehrlich, Irradiation creep and interrelation with swelling in austenitic stainless steels, J. Nucl. Mater. 100, 149 (1981).
  25. F. Granberg, J. J. Byggmästar, and K. Nordlund, Molecular dynamics simulations of high-dose damage production and defect evolution in tungsten, J. Nucl. Mater. 556, 153158 (2021).
  26. C. A. Hirst, F. Granberg, B. Kombaiah, P. Cao, S. Middlemas, R. S. Kemp, J. Li, K. Nordlund, and M. P. Short, Revealing hidden defects through stored energy measurements of radiation damage, Sci. Adv. 8, eabn2733 (2022).
  27. M. Boleininger, S. L. Dudarev, D. R. Mason, and E. Martínez, Volume of a dislocation network, Phys. Rev. Mater. 6, 063601 (2022).
  28. M. Boleininger, D. R. Mason, A. E. Sand, and S. L. Dudarev, Microstructure of a heavily irradiated metal exposed to a spectrum of atomic recoils, Sci. Rep. 13, 1684 (2023).
  29. P. M. Derlet and S. L. Dudarev, Microscopic structure of a heavily irradiated material, Phys. Rev. Mater. 4, 023605 (2020).
  30. S. Wang, W. Guo, T. Schwarz-Selinger, Y. Yuan, L. Ge, L. Cheng, X. Zhang, X. Cao, E. Fu, and G.-H. Lu, Dynamic equilibrium of displacement damage defects in heavy-ion irradiated tungsten, Acta Mater. 244, 118578 (2023).
  31. D. R. Mason, S. Das, P. M. Derlet, S. L. Dudarev, A. J. London, H. Yu, N. W. Phillips, D. Yang, K. Mizohata, R. Xu, and F. Hofmann, Observation of Transient and Asymptotic Driven Structural States of Tungsten Exposed to Radiation, Phys. Rev. Lett. 125, 225503 (2020).
  32. D. R. Mason, F. Granberg, M. Boleininger, T. Schwarz-Selinger, K. Nordlund, and S. L. Dudarev, Parameter-free quantitative simulation of high-dose microstructure and hydrogen retention in ion-irradiated tungsten, Phys. Rev. Mater. 5, 095403 (2021).
  33. A. R. Warwick, R. Thomas, M. Boleininger, O. Koç, G. Zilahi, G. Ribárik, Z. Hegedues, U. Lienert, T. Ungar, C. Race, M. Preuss, P. Frankel, and S. Dudarev, Dislocation density transients and saturation in irradiated zirconium, Int. J. Plast. 164, 103590 (2023).
  34. J. Tian, H. Wang, Q. Feng, J. Zheng, X. Liu, and W. Zhou, Heavy radiation damage in alpha zirconium at cryogenic temperature: A computational study, J. Nucl. Mater. 555, 153159 (2021).
  35. A. R. Warwick, M. Boleininger, and S. L. Dudarev, Microstructural complexity and dimensional changes in heavily irradiated zirconium, Phys. Rev. Mater. 5, 113604 (2021).
  36. A. Chartier and M. C. Marinica, Rearrangement of interstitial defects in alpha-Fe under extreme condition, Acta Mater. 180, 141 (2019).
  37. L. Reali, M. Boleininger, M. R. Gilbert, and S. L. Dudarev, Macroscopic elastic stress and strain produced by irradiation, Nucl. Fusion 62, 016002 (2022).
  38. T. Mura, Micromechanics of Defects in Solids (Kluwer Academic Publishers, Dordecht, 1998).
  39. G. J. Ackland, M. I. Mendelev, D. J. Srolovitz, S. Han, and A. V. Barashev, Development of an interatomic potential for phosphorus impurities in α-iron, J. Phys.: Condens. Matter 16, S2629 (2004).
  40. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Oxford science publications (Clarendon Press, Oxford, 1987).
  41. A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton, LAMMPS – a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales, Comput. Phys. Commun. 271, 108171 (2022).
  42. P.-W. Ma and S. L. Dudarev, Universality of point defect structure in body-centered cubic metals, Phys. Rev. Mater. 3, 013605 (2019).
  43. P.-W. Ma and S. Dudarev, CALANIE: Anisotropic elastic correction to the total energy, to mitigate the effect of periodic boundary conditions, Comput. Phys. Commun. 252, 107130 (2020).
  44. P.-W. Ma and S. L. Dudarev, Symmetry-broken self-interstitial defects in chromium, molybdenum, and tungsten, Phys. Rev. Mater. 3, 043606 (2019).
  45. P.-W. Ma and S. L. Dudarev, Effect of stress on vacancy formation and migration in body-centered-cubic metals, Phys. Rev. Mater. 3, 063601 (2019).
  46. P.-W. Ma and S. L. Dudarev, Nonuniversal structure of point defects in face-centered cubic metals, Phys. Rev. Mater. 5, 013601 (2021).
  47. D. R. Mason, D. Nguyen-Manh, M.-C. Marinica, R. Alexander, A. E. Sand, and S. L. Dudarev, Relaxation volumes of microscopic and mesoscopic irradiation-induced defects in tungsten, J. Appl. Phys. 126, 075112 (2019).
  48. P.-W. Ma, D. R. Mason, and S. L. Dudarev, Multiscale analysis of dislocation loops and voids in tungsten, Phys. Rev. Mater. 4, 103609 (2020).
  49. S. L. Dudarev, D. R. Mason, E. Tarleton, P.-W. Ma, and A. E. Sand, A multi-scale model for stresses, strains and swelling of reactor components under irradiation, Nucl. Fusion 58, 126002 (2018).
  50. A. P. Sutton, Physics of Elasticity and Crystal Defects (Oxford University Press, Oxford, 2020), p. 39.
  51. A. Stukowski, Visualization and analysis of atomistic simulation data with ovito–the open visualization tool, Modell. Simul. Mater. Sci. Eng. 18, 015012 (2010).
  52. P. M. Larsen, S. Schmidt, and J. Schiøtz, Robust structural identification via polyhedral template matching, Modell. Simul. Mater. Sci. Eng. 24, 055007 (2016).
  53. A. M. Goryaeva, C. Lapointe, C. Dai, J. Dérès, J.-B. Maillet, and M.-C. Marinica, Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores, Nat. Commun. 11, 4691 (2020).
  54. Z. Xie, D. Chauraud, E. Bitzek, S. Korte-Kerzel, and J. Guénolé, Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases, J. Mater. Res. 36, 2010 (2021).
  55. A. Stukowski, V. V. Bulatov, and A. Arsenlis, Automated identification and indexing of dislocations in crystal interfaces, Modell. Simul. Mater. Sci. Eng. 20, 085007 (2012).
  56. J. Byggmästar and F. Granberg, Dynamical stability of radiation-induced C15 clusters in iron, J. Nucl. Mater. 528, 151893 (2020).
  57. www.csd3.cam.ac.uk.

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation