Insights from an OKMC simulation of dose rate effects on the irradiated microstructure of RPV model alloys
1
조회
0
다운로드
0
인용
0
참고문헌
키워드
초록
This work studies the defect features in a dilute FeMnNi alloy by an Object Kinetic Monte Carlo (OKMC) model based on the "grey-alloy" method. The dose rate effect is studied at 573 K in a wide range of dose rates from 108 to 104 displacement per atom (dpa)/s and demonstrates that the density of defect clusters rises while the average size of defect clusters decreases with increasing dose rate. However, the dose-rate effect decreases with increasing irradiation dose. The model considered two realistic mechanisms for producing <100>-type self-interstitial atom (SIA) loops and gave reasonable production ratios compared with experimental results. Our simulation shows that the proportion of <100>-type SIA loops could change obviously with the dose rate, influencing hardening prediction for various dose rates irradiation. We also investigated ways to compensate for the dose rate effect. The simulation results verified that about a 100 K temperature shift at a high dose rate of 1 104 dpa/s could produce similar irradiation microstructures to a lower dose rate of 1 107 dpa/s irradiation, including matrix defects and deduced solute migration events. The work brings new insight into the OKMC modeling and the dose rate effect of the Fe-based alloys.
Abstract
This work studies the defect features in a dilute FeMnNi alloy by an Object Kinetic Monte Carlo (OKMC) model based on the "grey-alloy" method. The dose rate effect is studied at 573 K in a wide range of dose rates from 108 to 104 displacement per atom (dpa)/s and demonstrates that the density of defect clusters rises while the average size of defect clusters decreases with increasing dose rate. However, the dose-rate effect decreases with increasing irradiation dose. The model considered two realistic mechanisms for producing <100>-type self-interstitial atom (SIA) loops and gave reasonable production ratios compared with experimental results. Our simulation shows that the proportion of <100>-type SIA loops could change obviously with the dose rate, influencing hardening prediction for various dose rates irradiation. We also investigated ways to compensate for the dose rate effect. The simulation results verified that about a 100 K temperature shift at a high dose rate of 1 104 dpa/s could produce similar irradiation microstructures to a lower dose rate of 1 107 dpa/s irradiation, including matrix defects and deduced solute migration events. The work brings new insight into the OKMC modeling and the dose rate effect of the Fe-based alloys.
참고문헌 (68)
- Steven J. Zinkle, "Structural materials for fission & fusion energy", Materials Today, 12(11), pp.12~19 (2009), Elsevier BV[DOI]
- C. English, "Comprehensive Nuclear Materials", pp.151~180 (2012), Elsevier
- Junfeng Nie, "Study on the irradiation effect of mechanical properties of RPV steels using crystal plasticity model", Nuclear Engineering and Technology, 51(2), pp.501~509 (2019), 한국원자력학회[DOI]
- W.Y. Chen, "Neutron irradiation effects in Fe and Fe-Cr at 300℃", Acta Mater, 111, pp.407~416 (2016)
- E. Meslin, "Radiation-induced precipitation in a ferritic model alloy: an experimental and theoretical study", Acta Mater, 61, pp.6246~6254 (2013)
- "ASTM: E521-16, Standard Practice for Investigating the Effects of Neutron Radiation Damage Using Charged-Particle Irradiation", American society of testing and material, ~ (2016)
- Gary S. Was, "Challenges to the use of ion irradiation for emulating reactor irradiation", Journal of Materials Research, 30(9), pp.1158~1182 (2015), Springer Science and Business Media LLC[DOI]
- G. S. Was, "Radiation Effects in Solids", pp.65~98 (2007), Springer
- R. E. Stoller, "Primary damage formation in bcc iron", J. Nucl. Mater, 251, pp.49~60 (1997)
- K. Fukuya, "Irradiation Simulation Techniques for the Study of RPV Embrittlement", pp.181~210 (2015), Institute of Nuclear Safety System Inc.
- A. Ballesteros, "Irradiation temperature, flux and spectrum effects", Progress in Nuclear Energy, 53(6), pp.756~759 (2011), Elsevier BV[DOI]
- Katsuhiko Fujii, "Effects of solute elements on irradiation hardening and microstructural evolution in low alloy steels", J. Nucl. Mater, 417, pp.949~952 (2011)
- Christopher D. Hardie, "Effects of irradiation temperature and dose rate on the mechanical properties of self-ion implanted Fe and Fe-Cr alloys", J. Nucl. Mater, 439, pp.33~40 (2013)
- Kristina Lindgren, "Evolution of precipitation in reactor pressure vessel steel welds under neutron irradiation", J. Nucl. Mater, 488, pp.222~230 (2017)
- A. Wagner, "Effect of neutron flux on the characteristics of irradiation-induced nanofeatures and hardening in pressure vessel steels", Acta Mater, 104, pp.131~142 (2016)
- M. Chiapetto, "Simulation of nanostructural evolution under irradiation in Fe-9%Cr-C alloys : an object kinetic Monte Carlo study of the effect of temperature and dose-rate", Nuclear Materials and Energy, 9, pp.565~570 (2016)
- V. Jansson, "OKMC simulations of Fe-C systems under irradiation : sensitivity studies", J. Nucl. Mater, 452, pp.118~124 (2014)
- N. Soneda, "Modeling the microstructural evolution in bcc-Fe during irradiation using kinetic Monte Carlo computer simulation", J. Nucl. Mater, 323, pp.169~180 (2003)
- L. K. Mansur, "Theory of transitions in dose dependence of radiation effects in structural alloys", J. Nucl. Mater, 206, pp.306~323 (1993)
- M. Chiapetto, "Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: revised Object kinetic Monte Carlo model", Nucl. Instrum. Methods Phys. Res., Sect. B, 393, pp.105~109 (2017)
- M. Chiapetto, "Nanostructure evolution under irradiation in FeMnNi alloys: A “grey alloy” object kinetic Monte Carlo model", Journal of Nuclear Materials, 462, pp.91~99 (2015), Elsevier BV[DOI]
- Jianyang Li, "An Object Kinetic Monte Carlo Simulation for Defect Evolution of Neutron‐Irradiated Reactor Pressure Vessel Steels: Carbon Sensitive Study", physica status solidi (b), 258(11) (2021), Wiley[DOI]
- S. L. Dudarev, "Effect of the agPhase transition on the stability of dislocation loops in bcc iron", Phys. Rev. Lett, 100, pp.135503~ (2008)
- Ignacio Martin-Bragado, "MmonCa, An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion", Comput. Phys. Commun, 184, pp.2703~2710 (2013)
- D. Terentyev, "Evolution of dislocation loops in iron under irradiation : the impact of carbon", Scripta Mater, 97, pp.5~8 (2015)
- J. P. Balbuena, "Insights from atomistic models on loop nucleation and growth in a-Fe thin films under Feþ 100 keV irradiation", J. Nucl. Mater, 521, pp.71~80 (2019)
- S. Plimpton, "Fast parallel algorithms for short-range molecular dynamics", J. Comp. Physiol, 117, pp.1~19 (1995)
- J. Byggmastar, "Effects of the short-range repulsive potential on cascade damage in iron", J. Nucl. Mater, 508, pp.530~539 (2018)
- J. Marian, "Mechanism of formation and growth of <100>interstitial loops in ferritic materials", Phys. Rev. Lett, 88, pp.255507~ (2002)
- F. Granberg, "Cascade debris overlap mechanism of <100> dislocation loop formation in Fe and FeCr", Europhys. Lett, 119, pp.56003~ (2017)
- Yufeng Du, "In-situ WB-STEM observation of dislocation loop behavior in reactor pressure vessel steel during post-irradiation annealing", Materialia, 12, pp.100778~ (2020)
- M. -C. Marinica, "Irradiation-Induced formation of nanocrystallites with C15 laves phase structure in bcc iron", Phys. Rev. Lett, 108(2), pp.025501~ (2012)
- C. Domain, "Solute-<111> interstitial loop interaction in a-Fe : a DFT study", J. Nucl. Mater, 499, pp.582~594 (2018)
- D. Terentyev, "Carbonevacancy interaction controls lattice damage recovery in iron", Scripta Mater, 86, pp.9~ (2014)
- E. Meslin, "Characterization of neutron-irradiated ferritic model alloys and a RPV steel from combined APT, SANS, TEM and PAS analyses", J. Nucl. Mater, 406, pp.73~83 (2010)
- N. Soneda, "Defect production, annealing kinetics and damage evolution in a-Fe: an atomic-scale computer simulation", Philos. Mag. A, 78, pp.995~ (1998)
- Jin Gao, "Ion-irradiation hardening and microstructural evolution in F82H and ferritic alloys", J. Nucl. Mater, 515, pp.294~302 (2019)
- L. Tan, "Formulating the strength factor a for improved predictability of radiation hardening", J. Nucl. Mater, 465, pp.724~730 (2015)
- D. Terentyev, "Hardening due to dislocation loop damage in RPV model alloys: Role of Mn segregation", Journal of Nuclear Materials, 457, pp.173~181 (2015), Elsevier BV[DOI]
- M. I. Pascuet, "Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe", J. Nucl. Mater, 519, pp.265~273 (2019)
- A. Stukowski, "Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool", Model. Simulat. Mater. Sci. Eng, 18(1), pp.015012~ (2010)
- Luca Messina, "Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic FeeX (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys", Acta Mater, 191, pp.166~185 (2020)
- G. Bonny, "Monte Carlo study of decorated dislocation loops in FeNiMnCu model alloys", J. Nucl. Mater, 452, pp.486~492 (2014)
- M. J. Caturla, "Comparative study of radiation damage accumulation in Cu and Fe", J. Nucl. Mater, 276, pp.13~21 (2000)
- Kai Nordlund, "Improving atomic displacement and replacement calculations with physically realistic damage models", Nat. Commun, 9, pp.1084~ (2018)
- R. Schaeublin, "Microstructure of irradiated ferritic", martensitic steels in relation to mechanical properties, 2002, pp.307-311, 197~202[DOI]
- M. Hernandez-Mayoral, "Transmission electron microscopy investigation of the microstructure of Fe-Cr alloys induced by neutron and ion irradiation at 300C", J. Nucl. Mater, 474, pp.88~98 (2016)
- J. Chen, "Dislocation loops in ultra-high purity Fe(Cr) alloys after 7.2 MeV proton irradiation", Journal of Nuclear Materials, 503, pp.81~90 (2018), Elsevier BV[DOI]
- J. Xue, "Temperature-dependent irradiation-induced clustering in a FeeMneNi alloy", Metall. Mater. Trans. A, 52, pp.4264~4274 (2021)
- Aaron Dunn, "Multiscale simulation of radiation damage accumulation and subsequent hardening in neutronirradiated a-Fe", Model. Simulat. Mater. Sci. Eng, 24, pp.015005~ (2016)
- Jianyang Li, "Irradiation dose-rate effect in Fe-C system: an Object Kinetic Monte Carlo simulation", J. Nucl. Mater, pp.153529~ (2022)
- J. Gao, "Characterization of ordered dislocation loop raft in Fe3þ irradiated pure iron at 300 ℃", J. Nucl. Mater, 511, pp.304~311 (2018)
- M. Hernandez-Mayoral, "Heavy-ion irradiations of Fe and Fe-Cr model alloys Part 2: damage evolution in thin-foils at higherdoses, 21", Philos. Mag. A, 88(21), pp.2881~2897 (2008)
- L.L. Horton, "A TEM study of neutron-irradiated iron", J. Nucl. Mater, 108&109, pp.222~ (1982)
- K. Fujii, "Characterization of defect clusters in ion-irradiated A533B steel", J. Nucl. Mater, 336, pp.323~330 (2005)
- A. Prokhodtseva, "Comparison between bulk and thin foil ion irradiation of ultra high purity Fe", J. Nucl. Mater, 442, pp.S786~S789 (2013)
- Hailong Liu, "The effect of dislocations on MnNi-rich clusters in self-ion irradiated FeMnNi alloy", Journal of Nuclear Materials, 519, pp.64~73 (2019), Elsevier BV[DOI]
- L. T. Belkacemi, "Striking effect of solute elements (Mn, Ni) on radiation-induced segregation", precipitation in iron-based model alloys, 2021, pp.548, 152807~
- Benjamin, W. Spencer, "Cluster dynamics modeling of Mn-Ni-Si precipitates coupled with radiation-induced segregation in low-Cu reactor pressure vessel steels", J. Nucl. Mater, 569, pp.153910~ (2022)
- O. Tissot, "Influence of injected interstitials on α′ precipitation in Fe–Cr alloys under self-ion irradiation", Materials Research Letters, 5(2), pp.117~123 (2016), Informa UK Limited[DOI]
- G. R. Odette, "Precipitation in reactor pressure vessel steels under ion and neutron irradiation : on the role of segregated network dislocations", Acta Mater, 212, pp.116922~ (2021)
- K. Fujii, "Concomitant formation of different nature clusters and hardening in reactor pressure vessel steels irradiated by heavy ions", J. Nucl. Mater, 443, pp.378~385 (2013)
- Qi Chen, "Irradiationinduced clustering in a Fe-Mn-Si alloy at different doses and temperatures", J. Nucl. Mater, 557, pp.153237~ (2021)
- Aaron Dunn, "Displacement rate and temperature equivalence in stochastic cluster dynamics simulations of irradiated pure a-Fe", J. Nucl. Mater, 480, pp.129~137 (2016)
- Shipeng Shu, "A kinetic lattice Monte Carlo study of post-irradiation annealing of model reactor pressure vessel steels", J. Nucl. Mater, 524, pp.312~322 (2019)
- N. Almirall, "On the elevated temperature thermal stability of nanoscale Mn-Ni-Si precipitates formed at lower temperature in highly irradiated reactor pressure vessel steels", Sci. Rep, 9, pp.1~12 (2019)
- S. J. Zinkle, "Opportunities and limitations for ion beams in radiation effects studies : bridging critical gaps between charged particle and neutron irradiations", Scripta Mater, 143, pp.154~160 (2018)
- K. Vogel, "Depth distribution of irradiation-induced dislocation loops in an Fe-9Cr model alloy irradiated with Fe ions: the effect of ion energy", Nucl. Mater. Energy, 27, pp.101007~ (2021)
