A multiscale model of creep in steels with account for the microstructure

Cover Page

Cite item

Full Text

Open Access Open Access
Restricted Access Access granted
Restricted Access Subscription Access

Abstract

A multiscale model has been developed to describe the influence of microstructure and alloying element content on the rate of radiation creep in EP823 and EK164 steels. A scheme is proposed for modeling the motion of dislocations and the interaction of dislocations with point defects within the molecular dynamics method, in real alloys containing loops, pores, and precipitates with characteristic sizes and composition determined experimentally. Disordered Fe-based solid solutions of Cr and Cr + Ni corresponding to the specifications of EP 823 and EK 164 steels are used as a matrix. The evolution of the local dislocation density in the grain is calculated using the method of discrete dislocation dynamics, taking into account the dislocation climb and slip. It is shown that the local dislocation density changes with the formation of a microstructure. The distribution of local stresses in the lattice caused by the microstructure is calculated. The creep rate values in FeCr and FeCrNi alloys are calculated taking into account the presence of microstructure. The creep rate values obtained as a result of modeling differ from measured values by 20–50%. Factors limiting the accuracy of the model are revealed, and a modeling algorithm is proposed to improve the accuracy of creep rate prediction.

Full Text

Restricted Access

About the authors

K. Y. Khromov

National Research Center "Kurchatov Institute"

Author for correspondence.
Email: khromov_ky@nrcki.ru
Russian Federation, Moscow, 123098

V. A. Ryabov

National Research Center "Kurchatov Institute"

Email: khromov_ky@nrcki.ru
Russian Federation, Moscow, 123098

A. V. Kozlov

JSC “Institute of Nuclear Materials”

Email: khromov_ky@nrcki.ru
Russian Federation, Zarechny, Sverdlovsk region, 624250

V. L. Panchenko

JSC “Institute of Nuclear Materials”

Email: khromov_ky@nrcki.ru
Russian Federation, Zarechny, Sverdlovsk region, 624250

References

  1. Plimpton S. Fast Parallel Algorithms for Short-Range Molecular Dynamics // J. Comp. Phys. 1995. V. 117. P. 1–19. http://lammps.sandia.gov
  2. Schuler T., Nastar M., Soisson F. Towards the modeling of the interplay between radiation induced segregation and sink microstructure // J. Appl. Phys. 2022. V. 132. Iss. 8. P. 080903. https:// doi.org/10.1063/5.0100298
  3. Mansouri E., Olsson P. Modeling of irradiation-induced microstructure evolution in Fe: Impact of Frenkel pair distribution // Comp. Mater. Sci. 2024. V. 236. P. 112852.
  4. Castin N., Messina L., Domain C., Pasianot R.C., Olsson P. Improved atomistic Monte Carlo models based on ab-initio-trained neural networks: Application to FeCu and FeCr alloys // Phys. Rev. B. 2017. V. 95. P. 214117.
  5. Khromov K. Yu., Kovalishin A.A., Ryabov V.A., Tsvetkov T.V., Velikhov V.E. A topologically correct method of dislocations construction for atomistic modeling // Comp. Mater. Sci. 2019. V. 156. P. 301–309. WOS:000449375500038, https:// doi.org/10.1016/j.commatsci.2018.09.048 https:// www.ctcms.nist.gov/potentials/.
  6. Bonny G., Pasianot R.C., Terentyev D., Malerba L. Iron chromium potential to model high-chromium ferritic alloys // Philosop. Magazine. 2011. V. 91(12). P. 1724–1746. https:// doi.org/10.1080/ 14786435.2010.545780
  7. Béland L.K., Tamm A., Mu S., Samolyuk G.D., Osetsky Y.N., Aabloo A., Klintenberg M., Caro A., Stoller R.E. Accurate classical short-range forces for the study of collision cascades in Fe–Ni–Cr // Computer Physics Communications. 2017. V. 219. P. 11–19. https:// doi.org/10.1016/j.cpc.2017.05.001
  8. Osetsky Y.N., Bacon D.J., Mohles V. Atomic modelling of strengthening mechanisms due to voids and copper precipitates in α-iron // Philosop. Magazine. 2003. V. 83(31–34). P. 3623–3641.
  9. Bacon D.J., Kocks U.F., Scattergood R.O. The effect of dislocation self-interaction on the Orowan stress // Phil. Mag. 1973. V. 28 (6). P. 1241–1263. https:// umet.univ-lille.fr/Projets/RheoMan.

Supplementary files

Supplementary Files
Action
1. JATS XML
Download
2. Fig. 1. The field of deformations around dislocation nuclei in pure Fe (a) and Fe–12%Cr (b) alloy.

Download (310KB)
Indexing metadata
3. Fig. 2. Gray drain model.

Download (79KB)
Indexing metadata
4. Fig. 3. Accumulated deformation as a function of time for sliding and sliding-over mechanisms.

Download (78KB)
Indexing metadata
5. Fig. 4. Distribution of dislocations before irradiation (a) and after irradiation (b) in the DDD simulation cell. The crosses show the position of the dislocations.

Download (145KB)
Indexing metadata
6. Fig. 5. Stress distribution before irradiation (a) and after irradiation (b) in the DDD simulation cell corresponding to the dislocation distribution shown in Fig. 4.

Download (455KB)
Indexing metadata