Effect of radiation defects on the early stages of nanoindentation tests in bcc Fe and Fe-Cr alloys

Bakaev，Alexander1; Zhao，Junlei2,3; Terentyev，Dmitry1; Bonny，Giovanni1; Castin，Nicolas1; Kuronen，Antti2; Kvashin，Nikolai4; Nordlund，Kai2; Bakaev，Viktor A.5; Golikov，Igor G.5

2022-03-01

10.1016/j.commatsci.2021.111151

COMPUTATIONAL MATERIALS SCIENCE   影响因子和分区

0927-0256

1879-0801

Classical molecular dynamics (MD) simulations of nanoindentation tests are performed in defect-free at 300, 600 and 1000 K and defected crystals at 300 and 600 K of pure Fe and Fe-9Cr alloy. The aim of the work is to evaluate the effect of the presence of various defects specific to neutron/heavy ion irradiation (i.e., voids, dislocation loops and Cr precipitates) on the material response during the early stages of nanoindentation (i.e., at indentation depths up to 20 Å). We establish that even a relatively large density of the radiation defects (∼10 m) does not induce any significant change in the material response, i.e., it is not unambiguously detectable at the force-depth curves neither in pure Fe nor in Fe-9Cr alloys. The macroscopic parameters, which can be derived from these curves, such as hardness and reduced modulus, calculated in the crystals with and without radiation defects also cannot clearly reveal the contribution from the presence of the radiation defects given the resulting uncertainty of their extraction. However, several distinct features typical for nanoindentation tests observed in crystals with radiation defects only were identified, such as a) obstruction of emission of dislocation loops under the indenter during loading for crystals with precipitates and dislocation loops, and b) special residual imprint pattern for crystals with dislocation loops. The results of this work provide useful data for the parameterization and validation of the higher-scale methods, such as dislocation dynamics and (crystal plasticity-) finite-element method. The details of the transferability of MD results to these methods are also discussed.

bcc Fe Dislocation loops Dislocations Fe-based alloys FeCr alloys Ferritic-martensitic steels Hardness Molecular dynamics Nanoindentation Precipitates Radiation defects Reduced modulus Voids

SCI ; EI

英语

其他

Euratom research and training programme[755039]

Materials Science

Materials Science, Multidisciplinary

WOS:000805836300003

ELSEVIER

20220411494577

Binary alloys ; Chromium alloys ; Dislocations (crystals) ; Hardness ; Ion bombardment ; Iron alloys ; Nanoindentation ; Neutron irradiation ; Radiation

Chromium and Alloys:543.1 ; Iron Alloys:545.2 ; Nanotechnology:761 ; Physical Chemistry:801.4 ; High Energy Physics:932.1 ; Mechanical Variables Measurements:943.2 ; Materials Science:951

MATERIALS SCIENCE

2-s2.0-85123031473

Scopus

1.SCK CEN,Nuclear Materials Science Institute,Mol,Boeretang 200,B-2400,Belgium
2.Department of Physics and Helsinki Institute of Physics,University of Helsinki,FIN-00014 Helsinki,P.O. Box 43,Finland
3.Department of Electrical and Electronic Engineering,Southern University of Science and Technology,Shenzhen,518055,China
4.Department of Civil and Environmental Engineering,Universitat Politècnica de Catalunya,Barcelona,08034,Spain
5.Peter the Great St. Petersburg Polytechnic University (SPbPU),St. Petersburg,Polytechnicheskaya, 29,195251,Russian Federation

Bakaev，Alexander,Zhao，Junlei,Terentyev，Dmitry,et al. Effect of radiation defects on the early stages of nanoindentation tests in bcc Fe and Fe-Cr alloys[J]. COMPUTATIONAL MATERIALS SCIENCE,2022,204.

Bakaev，Alexander.,Zhao，Junlei.,Terentyev，Dmitry.,Bonny，Giovanni.,Castin，Nicolas.,...&Golikov，Igor G..(2022).Effect of radiation defects on the early stages of nanoindentation tests in bcc Fe and Fe-Cr alloys.COMPUTATIONAL MATERIALS SCIENCE,204.

Bakaev，Alexander,et al."Effect of radiation defects on the early stages of nanoindentation tests in bcc Fe and Fe-Cr alloys".COMPUTATIONAL MATERIALS SCIENCE 204(2022).