Advertisement

Modeling of Radiation Damage in Materials: Best Practices and Future Directions

  • Kai Nordlund
  • Michael P. Short
Living reference work entry

Abstract

In this section of the Handbook of Materials Modeling, modern methods to model radiation damage in materials are considered. This introductory chapter puts the topic into context, briefly overviews the multiscale nature of radiation effects, and surveys most important methods used to advance this field of physics. Emphasis is given to advances from the past 10 years, highlighting specific bodies of work, some of which are reviewed in this section, which have advanced both our scientific understanding of and best practices for simulating radiation damage. This section differs somewhat from that of Devanathan and Marian entitled “Nuclear Materials,” in that this section focuses more on modeling techniques for radiation damage as applied to pure materials, not necessarily nuclear materials. However, much can be learned from reading the shared perspectives in both sections, as many similar topics are addressed from different points of view. The more specific chapters in this section are introduced in this overview, with emphasis on predicted directions in the field for the next 10 years.

References

  1. Bohr N (1913) On the theory of the decrease of velocity of moving electrified particles on passing through matter. Philos Mag 25:10CrossRefGoogle Scholar
  2. Byggmästar J, Granberg F, Nordlund K (2017) Molecular dynamics simulations of thermally activated edge dislocation unpinning from voids in alpha-Fe. Phys Rev Mater 1:053603CrossRefGoogle Scholar
  3. Chason E, Picraux ST, Poate M, Borland JO, Current MI, Diaz de la Rubia T, Eaglesham DJ, Holland OW, Law ME, Magee CW, Mayer JW, Melngailis J, Tasch AF (1997) Ion beams in silicon processing and characterization. J Appl Phys 81:6513ADSCrossRefGoogle Scholar
  4. Diaz de la Rubia T, Averback RS, Benedek R, King WE (1987) Role of thermal spikes in energetic collision cascades. Phys Rev Lett 59:1930 See also erratum: Phys Rev Lett 60:76 (1988)ADSCrossRefGoogle Scholar
  5. Fermi E, Richtmyer RD (1948) Note on census-taking in Monte Carlo calculations. A declassified report by Enrico Fermi. From the Los Alamos Archive. Technical Report Number LAMS-805, Series A (July 11)Google Scholar
  6. Fermi E, Teller E (1947) The capture of negative mesotrons in matter. Phys Rev 72:399ADSCrossRefGoogle Scholar
  7. Gades H, Urbassek HM (1995) Simulation of ion-induced mixing of metals. Phys Rev B 51:14559ADSCrossRefGoogle Scholar
  8. Grove WR (1852) VII. On the electro-chemical polarity of gases. Philos Trans R Soc 142(I):87ADSCrossRefGoogle Scholar
  9. Hirth JP, Lothe J (1992) Theory of dislocations, 2nd edn. Krieger, MalabarzbMATHGoogle Scholar
  10. Holmström E, Kuronen A, Nordlund K (2008) Threshold defect production in silicon determined by density functional theory molecular dynamics simulations. Phys Rev B 78:045202ADSCrossRefGoogle Scholar
  11. Jones RO, Gunnarsson O (1989) The density functional formalism, its applications and prospects. Rev Mod Phys 61:689ADSCrossRefGoogle Scholar
  12. Kojima S, Satoh Y, Taoka H, Ishida I, Yoshie T, Kiritani M (1989) Confirmation of vacancy-type stacking fault tetrahedra in quenched, deformed and irradiated face-centred cubic metals. Philos Mag A 59:519ADSCrossRefGoogle Scholar
  13. Krasheninnikov AV, Nordlund K (2010) Ion and electron irradiation-induced effects in nanostructured materials. J Appl Phys 107:071301ADSCrossRefGoogle Scholar
  14. Lebensohn RA, Tomé CN (1993) A self-consistent anisotropic approach for the simulation of plastic deformation and texture development of polycrystals: application to zirconium alloys. Acta Metall Mater 41(9):2611–2624CrossRefGoogle Scholar
  15. Lindhard J, Scharff M, Schiott HE (1963) Range concepts and heavy ion ranges. Kgl Danske Vid Selsk Mat Fys Medd 33(14):1Google Scholar
  16. Meldrum A, Zinkle SJ, Boatner LA, Ewing RC (1998) A transient liquid-like phase in the displacement cascades in zircon, hafnon and thorite. Nature 395:56ADSCrossRefGoogle Scholar
  17. Mueller E, Bahadur K (1956) Field ionization of gases at a metal surface and the resolution of the field ion microscope. Phys Rev 102:624ADSCrossRefGoogle Scholar
  18. Nelson WR (1978) Solution of the electromagnetic cascade shower problem by analog Monte Carlo methods – EGS. In: Nelson WR (ed) Computer techniques in radiation transport and dosimetry. New York/London, Plenum PressGoogle Scholar
  19. Nordlund K, Gao F (1999) Formation of stacking fault tetrahedra in collision cascades. Appl Phys Lett 74:2720ADSCrossRefGoogle Scholar
  20. Nordlund K, Ghaly M, Averback RS, Caturla M, Diaz de la Rubia T, Tarus J (1998) Defect production in collision cascades in elemental semiconductors and FCC metals. Phys Rev B 57:7556ADSCrossRefGoogle Scholar
  21. Nordlund K, Wallenius J, Malerba L (2005) Molecular dynamics simulations of threshold energies in Fe. Nucl Instr Meth Phys Res B 246:322ADSCrossRefGoogle Scholar
  22. Olsson P, Becquart CS, Domain C (2016) Ab initio threshold displacement energies in iron. Mater Res Lett 4:216CrossRefGoogle Scholar
  23. Polvi J, Luukkonen P, Nordlund K, Järvi TT, Kemper TW, Sinnott SB (2012) Primary radiation defect production in polyethylene and cellulose. J Phys Chem B 116:13932CrossRefGoogle Scholar
  24. Queyreau S, Monnet G, Devincre B (2010) Orowan strengthening and forest hardening superposition examined by dislocation dynamics simulations. Acta Mater 58:5586CrossRefGoogle Scholar
  25. Robinson MT, Torrens IM (1974) Computer simulation of atomic-displacement cascades in solids in the binary-collision approximation. Phys Rev B 9:5008ADSCrossRefGoogle Scholar
  26. Ruault MO, Chaumont J, Penisson JM, Bourret A (1984) High resolution and in situ investigation of defects in Bi-irradiated Si. Philos Mag A 50:667ADSCrossRefGoogle Scholar
  27. Rutherford E (1911) The scattering of alpha and beta rays by matter and the structure of the atom. Philos Mag 6:31Google Scholar
  28. Seitz F, Koehler JS (1956) Displacement of atoms during irradiation. In: Seitz F, Turnbull D (eds) Solid state physics, vol 2. Academic Press, New York, p 307Google Scholar
  29. Takaki S et al (1983) The resistivity recovery of high purity and carbon doped iron following low temperature electron irradiation. Rad Eff 79(1–4):87–122CrossRefGoogle Scholar
  30. Terentyev D, Klimenkov M, Malerba L (2009) Confinement of motion of interstitial clusters and dislocation loops in BCC Fe–Cr alloys. J Nucl Mater 393:30ADSCrossRefGoogle Scholar
  31. Yi X, Sand AE, Mason DR, Kirk MA, Roberts SG, Nordlund K, Dudarev SL (2015) Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades. Europhys Lett 110:36001ADSCrossRefGoogle Scholar
  32. Ziegler JF, Biersack JP, Littmark U (1985) The stopping and range of ions in matter. Pergamon, New YorkCrossRefGoogle Scholar

Copyright information

© Springer Nature Switzerland AG 2019

Authors and Affiliations

  1. 1.Department of PhysicsUniversity of HelsinkiHelsinkiFinland
  2. 2.Department of Nuclear Science and EngineeringMITCambridgeUSA

Section editors and affiliations

  • Michael P. Short
    • 1
  • Kai Nordlund
    • 2
  1. 1.Department of Nuclear Science and EngineeringMassachusetts Institute of TechnologyCambridgeUSA
  2. 2.Computational Materials PhysicsUniversity of HelsinkiHelsinkiFinland

Personalised recommendations