Deliverables
The deliverable will report the results of different FE approaches used in Task 62 to model nanoindentation at scales that commensurate with the indentation affected zone and to provide a uniaxially equivalent indentation stressstrain curve
Third Activity Progress ReportReport describing the activities carried out and the results obtained during the third reporting period
Results of nanoindentation testsThe report will include results from nanoindentation using different indenter shapes and from the semi-empirical length-scale enabled analytical analysis of pristine material data carried out in subtask 6.3.
Simulation of post-yield post-necking behaviour by using the UMAT implementation of the developed-constitutive equations; Impact of rational use of post yield post necking behaviour of F/M steels on the development of the advanced design rulesReport on the simulation of the tensile tests using the developed UMAT to verify the constitutive equations, particularly their capability to describe the post yield and post necking behaviour observed experimentally. Describe the impact of rational use of post yield post necking behaviour of F/M steels on the development of the advanced design rules against non-ductile fracture.
Comparison between predictions and experimental observationsReport on the comparison between computed and measured channel thickness channel spacing channelling threshold accounting for precise information about the local microstructure grain size orientation neighbour characteristics
Final WorkshopProceedings of the final workshop of M4F Project
Validation of microstructure evolution models: limitations and applicabilityA report that describes the status of the modelling tools used in this WP, particularly OKMC models, in terms of features included and those that must be developed, as well as the existing parameter set and needs. This assessment will be done comparing the results of the simulations to the existing experimental data at this point.
Recommendation of test protocols to identify different types of irradiation damage on the nanoindentation curvesThe report will combine experimental data and semiempirical modelling from subtasks 632 and 642 to propose protocols that account for irradiation damage
Physically based constitutive equations for describing deformation damage behaviour of F/M steelsReport on the development of physically based constitutive equations for describing deformation damage behaviour of F/M steels for large rotation and large deformation
Dislocation mobility law and strengthening coefficients due to the interaction between dislocations and irradiation defects in presence of Cr and C decorationsReport on the development of a mobility law for dislocations in steels accounting for the statistical interactions of the dislocations with C and Cr solute atoms and strengthening effect due to the interaction with subnanoscale and nanoscale radiation defects decorated by Cr and C atoms
Polycrystal mean-field and full-field homogenization prediction s of tensile behaviourReport on the comparison of predictions of the tensile behaviour of irradiated FM steels with experimental curves and local measured values plastic slip rotations from Task 54
Open access publicationsReport listing and describing the open access publications produced during the project duration
PIE of ion- and neutron-irradiated FeCrC alloys aimed at exploring the effect of variations of Cr and C content and the initial microstructure on the evolution of microstructural and mechanical propertiesThis report will provide the experimental results related to the defect properties caused by irradiation; namely the type, number density, size distribution and spatial distribution of the irradiation-induced features including dislocation loops, irradiation-enhanced/-accelerated precipitates, vacancy-C-rich clusters as well as defect-solute clusters as a function of different irradiation conditions and matrix compositions.
Atomistic modelling of point defects, point defect cluster and diffusion in Fe-Cr-C alloysThe report will provide the results of ab initio calculations, on-lattice models (based on a Magnetic Cluster Expansion) and off-lattice models (developed with machine learning methods) on the stability and diffusion of point defects and point defect clusters in Fe-Cr-C alloys, including the effects of the ferro-paramagnetic transition and the interaction between Cr and C distributions. It will also include the result of extracting data from the DFT database. These methods will provide effective parameters to OKMC or cluster dynamics methods, used to model the evolution of the microstructure under irradiation. Finally, the dissolution energies of small Va-C clusters obtained by DFT calculation will be compared with experiments.
Report on the relationship between irradiation dose and nanoscale mechanical properties extracted from combined MD and FEM modellingReport on the relationship between irradiation dose and nanoscale mechanical properties extracted from MD and FEM modelling.
OKMC study of microstructure evolution under neutron irradiationThis report will provide information about radiation-defect clusters: vacancy clusters, interstitial dislocation loops, etc. in terms of density and size versus radiation dose for a given temperature, taking into account the effect of C.
Conditions for optimal transferability between ions and neutrons: experimental outcome and their relation to modellingA report on the main experimental results obtained within this WP comparing ion and neutron conditions and relating to the outcome available for modelling
Report on the transferability of ion to neutron irradiation effects as characterized by nanoindentationThe deliverable will report the results obtained by means of nanoindentation on the selected ion- and neutron-irradiated materials and conclude about the best strategies for the use of ion-irradiated materials to gain information about neutron damage.
Dissemination action planThe report outlines the plan for the dissemination of the results of M4F Project
Conditions for optimal transferability between ions and neutrons: modelling outcome and their relation to experimentsA report on the main results from modelling ion and neutron irradiation describing the validity of the models and the ion irradiation conditions that would closer represent neutron damage
Primary damage distributions in Fe and FeCrA report that describes the main features of the initial damage distribution under different ion and neutron irradiation parameters. This information will be needed to select the optimal ion irradiation conditions.
Data Management PlanThe report contains the plan for the management of the data produced by M4F
Project quality planThe report describes the measures for ensuring the quality management. I will describe: organisation of the working team; roles and responsibilities of each participant; control actions planned; time schedules; definition of requirement specifications and quality objectives; procedures for acceptance and quality control
Large-scale simulation of plasticity in irradiated single grainsReport on the largescale simulation of a 3D grain containing a representative density of radiationinduced defects using the NumodisAmitex coupling and a segment code to predict channelling depending on crossslip properties
First Activity Progress ReportThe report describes the activities performed during the first reporting period and outlines the results obtained
SEM-FEG, TEM, and AFM study of ion, proton and neutron irradiated and deformed specimensReport recording the results of SEMFEG EBSD TEM and AFM experiments on ion proton and neutron irradiated and deformed specimens aiming at study of surface steps localization of deformation and plastic instability the process leading to clear band formation and damage initiation and misorientations or local rotations compared to the nondeformed material
MD simulations of dislocation – grain boundary interactionsReport on the transferability of dislocations through GBs and the role of the intrinsic defects at GBs.
Terms of reference for the SACThe report describes the role and the duties of the SAC and will list the members, outlining their competencies and contribution to the Project
Final ReportReport summarizing the activities and the results of the Project
Report on the application of MD techniques for nano indentation measurementsThe report will summarize MD results describing mechanisms taking place at the initial stage of plastic deformation upon the nanoindentation conditions.
Meso-scale mechanisms of interaction between dislocations and irradiation defectsReport on a detailed comparison between in-situ TEM observations and DD simulations of dislocation-radiation induced loop interactions, with an investigation of the variation of effective energies, which characterize the thermal activation of dislocation motion in presence of radiation defects.
Atomic-scale models for magnetism, finite temperatures and alloy concentration effectsThis report will provide DFT data related to energetic properties of solutes, point defects and point defect clusters, by taking into account magnetic interactions and finite temperature effects
Continuum scale modelling of slip localizationReport on the continuum laws ruling the evolution of mobile dislocations and irradiation defects during plastic flow Bifurcation analysis Discussion of the predicted patterning conditions with respect to experimental observations
Ductile damage initiation in irradiated F/M steels and consequences in terms of continuous nucleation rate and cavity growthReport on ductile damage initiation in irradiated F/M steels and consequences in terms of continuous nucleation rate and cavity growth.
Determination of true stress true strain curves of irradiated F/M steelsReport on the determination of true stress true strain curves on selected irradiated F/M steels; Measurement of local deformation fields; investigation of strain rate effects (number of tests on n-irradiated materials is linked to the funding available).
Second Activity Progress ReportReport describing the activities and the results of the second reporting period
Nanoindentation test matrixDescription of the experimental work to be carried out including sample preparation protocol, nanoindentation test matrix and protocols for testing irradiated materials.
Publications
Author(s):
G. Kapoor; P. Chekhonin; C. Kaden; K. Vogel; F. Bergner
Published in:
Nuclear Materials and Energy, Vol 30, Iss , Pp 101105- (2022), Issue 3, 2022, ISSN 2352-1791
Publisher:
Elsevier Limited
DOI:
10.1016/j.nme.2021.101105
Author(s):
Alexandra M. Goryaeva, Clovis Lapointe, Chendi Dai, Julien Dérès, Jean-Bernard Maillet, Mihai-Cosmin Marinica
Published in:
Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-020-18282-2
Author(s):
M. Boleininger, M. Gallauer, S.L. Dudarev, T.D. Swinburne, D.R. Mason, D. Perez
Published in:
Physical Review Research, 2020, ISSN 2643-1564
Publisher:
American Physical Society.
DOI:
10.1103/physrevresearch.2.043254
Author(s):
K. Vogel, P. Chekhonin, C. Kaden, M. Hernández-Mayoral, S. Akhmadaliev, F. Bergner
Published in:
Nuclear Materials and Energy, 2021, ISSN 2352-1791
Publisher:
Elsevier Limited
DOI:
10.1016/j.nme.2021.101007
Author(s):
Lyubomira Veleva, Peter Hähner, Andrii Dubinko, Tymofii Khvan, Dmitry Terentyev and Ana Ruiz-Moreno
Published in:
Nanomaterials, 2021, ISSN 2079-4991
Publisher:
MDPI
DOI:
10.3390/nano11010071
Author(s):
N. Kvashin; N. Anento; D. Terentyev; A. Bakaev; Anna Serra
Published in:
Phisical Review Materials, Issue 2, 2021, ISSN 2475-9953
Publisher:
APS Physics
DOI:
10.1103/physrevmaterials.5.013605
Author(s):
M. Clozel, L. Kurpaska, I. Jóźwik, J. Jagielski, M. Turek, R. Diduszko, E. Wyszkowska
Published in:
Surface and Coatings Technology, Issue 393, 2020, Page(s) 125833, ISSN 0257-8972
Publisher:
Elsevier BV
DOI:
10.1016/j.surfcoat.2020.125833
Author(s):
K. Vogel, C. Heintze, P. Chekhonin, S. Akhmadaliev, E. Altstadt, F. Bergner
Published in:
Nuclear Materials and Energy, Issue 24, 2020, Page(s) 100759, ISSN 2352-1791
Publisher:
Elsevier Limited
DOI:
10.1016/j.nme.2020.100759
Author(s):
Dome Tanguy
Published in:
Physical Review Materials, Issue 8(3), 2024, Page(s) 033604, ISSN 2475-9953
Publisher:
American Physics Society
DOI:
10.1103/physrevmaterials.8.033604
Author(s):
N. Kvashin, P. L. García-Müller, N. Anento, A. Serra
Published in:
Physical Review Materials, Issue 4/7, 2020, ISSN 2475-9953
Publisher:
American Physical Society
DOI:
10.1103/physrevmaterials.4.073604
Author(s):
Alexander Bakaev, Junlei Zhao, Dmitry Terentyev, Giovanni Bonny, Nicolas Castin, Antti Kuronen, Nikolai Kvashin, Kai Nordlund, Viktor A. Bakaev, Igor G. Golikov
Published in:
Computational Materials Scienc, 2022, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2021.111151
Author(s):
L. Malerba, M.J. Caturla, E. Gaganidze, C. Kaden, M.J. Konstantinović, P. Olsson, C. Robertson, D. Rodney, A.M. Ruiz-Moreno, M. Serrano, J. Aktaa, N. Anento, S. Austin, A. Bakaev, J.P. Balbuena, F. Bergner, F. Boioli, M. Boleininger, G. Bonny, N. Castin, J.B.J. Chapman, P. Chekhonin, M. Clozel, B. Devincre, L. Dupuy, G. Diego, S.L. Dudarev, C.-C. Fu, R. Gatti, L. Gélébart, B. Gómez-Ferrer, D.
Published in:
Nuclear Materials and Energy, 2021, ISSN 2352-1791
Publisher:
Elsevier Limited
DOI:
10.1016/j.nme.2021.101051
Author(s):
M. Boleininger, T. D. Swinburne, S.L. Dudarev,
Published in:
Physical Review Materials, 2018, ISSN 2475-9953
Publisher:
American Physical Society
DOI:
10.1103/physrevmaterials.2.083803
Author(s):
María J. Caturla
Published in:
Computational Materials Science, Issue 156, 2019, Page(s) 452-459, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2018.05.024
Author(s):
Jacob B. J. Chapman, Pui-Wai Ma, Sergei L. Dudarev
Published in:
Physical Review B, Issue 99/18, 2019, ISSN 2469-9950
Publisher:
American Physical Society
DOI:
10.1103/PhysRevB.99.184413
Author(s):
Rebecca Alexander, Laurent Proville, Charlotte S. Becquart, Alexandra M. Goryeava, Julien Dérès, Clovis Lapointe, Mihai-Cosmin Marinica
Published in:
Journal of Nuclear Materials, Issue 535, 2020, Page(s) 152141, ISSN 0022-3115
Publisher:
Elsevier BV
DOI:
10.1016/j.jnucmat.2020.152141
Author(s):
N. Kvashin, A. Ostapovets, N. Anento, A. Serra
Published in:
Computational Materials Science, 2021, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2021.110509
Author(s):
Austin,T.; Bey,K.; Efthymiadis,T.; Koumoulos,E.P.
Published in:
Data 2021, Issue 11, 2021, ISSN 2306-5729
Publisher:
MDPI
DOI:
10.3390/data6090096
Author(s):
Jan S. Wróbel; Marcin R. Zemła; Duc Nguyen-Manh; Pär Olsson; Luca Messina; Christophe Domain; Tomasz Wejrzanowski; Sergei L. Dudarev
Published in:
Crossref, Issue 10, 2021, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2021.110435
Author(s):
M.J. Konstantinović, A. Ulbricht, T. Brodziansky, N. Castin, L. Malerba
Published in:
Journal of Nuclear Materials, Issue 540, 2020, Page(s) 152341, ISSN 0022-3115
Publisher:
Elsevier BV
DOI:
10.1016/j.jnucmat.2020.152341
Author(s):
N. Castin, M.I. Pascuet, L. Messina, C. Domain, P. Olsson, R.C. Pasianot, L. Malerba
Published in:
Computational Materials Science, Issue 148, 2018, Page(s) 116-130, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2018.02.025
Author(s):
Lorenzo Malerba, Pietro Agostini, Marjorie Bertolus, Fabienne Delage, Annelise Gallais-During, Christian Grisolia, Karine Liger, Pierre-François Giroux
Published in:
EPJ Nuclear Sciences & Technologies, Issue 6, 2020, Page(s) 32, ISSN 2491-9292
Publisher:
EDP open
DOI:
10.1051/epjn/2019021
Author(s):
Frank Bergner, Mercedes Hernández-Mayoral, Cornelia Heintze, Milan J. Konstantinović, Lorenzo Malerba, Cristelle Pareige
Published in:
Metals, Issue 10/1, 2020, Page(s) 147, ISSN 2075-4701
Publisher:
MDPI
DOI:
10.3390/met10010147
Author(s):
Ana Ruiz-Moreno, Peter Hähner, Lukasz Kurpaska, Jacek Jagielski, Philippe Spätig, Michal Trebala, Simo-Pekka Hannula, Susana Merino, Gonzalo de Diego, Hygreeva Namburi, Ondrej Libera, Dimitry Terentyev, Tymofii Khvan, Cornelia Heintze, Nigel Jennett
Published in:
Nanomaterials, Issue 10/1, 2020, Page(s) 130, ISSN 2079-4991
Publisher:
MDPI AG
DOI:
10.3390/nano10010130
Author(s):
P. M. Derlet, S. L. Dudarev
Published in:
Physical Review Materials, Issue 4/2, 2020, ISSN 2475-9953
Publisher:
APS
DOI:
10.1103/physrevmaterials.4.023605
Author(s):
Max Boleininger, Sergei L. Dudarev
Published in:
Physical Review Materials, Issue 3/9, 2019, ISSN 2475-9953
Publisher:
American Physical Society
DOI:
10.1103/physrevmaterials.3.093801
Author(s):
Yang Li, Max Boleininger, Christian Robertson, Laurent Dupuy, Sergei L. Dudarev
Published in:
Physical Review Materials, Issue 3/7, 2019, ISSN 2475-9953
Publisher:
American Physical Society
DOI:
10.1103/physrevmaterials.3.073805
Author(s):
Max Boleininger, Thomas D. Swinburne, Laurent Dupuy, Sergei L. Dudarev
Published in:
Physical Review Research, Issue 2/3, 2020, ISSN 2643-1564
Publisher:
American Physical Society
DOI:
10.1103/PhysRevResearch.2.032033
Author(s):
J. P. Balbuena, L. Malerba, N. Castin, G. Bonny, M. J. Caturla
Published in:
Journal of Nuclear Materials, 2021, ISSN 0022-3115
Publisher:
Elsevier BV
DOI:
10.1016/j.jnucmat.2021.153236
Author(s):
B. Gómez-Ferrer, C. Heintze, C. Pareige
Published in:
Journal of Nuclear Materials, Issue 517, 2019, Page(s) 35-44, ISSN 0022-3115
Publisher:
Elsevier BV
DOI:
10.1016/j.jnucmat.2019.01.040
Author(s):
D. Terentyev, A. Bakaev, A. Serra, F. Pavia, K.L. Baker, N. Anento
Published in:
Scripta Materialia, Issue 145, 2018, Page(s) 1-4, ISSN 1359-6462
Publisher:
Pergamon Press Ltd.
DOI:
10.1016/j.scriptamat.2017.10.002
Author(s):
D. Swinburne, S. L. Dudarev
Published in:
Physical Review Materials, 2018, ISSN 2475-9953
Publisher:
American Physical Society
DOI:
10.1103/physrevmaterials.2.073608
Author(s):
Malerba, L.; Anento, N.; Balbuena, J.P.; Becquart, Charlotte; Castin, N.; Caturla, M.J.; Domain, Christophe; Guerrero, C.; Ortiz, C.J.; Pannier, B.; Serra, A.
Published in:
"Nuclear Materials and Energy, Elsevier, 2021, Nuclear Materials and Energy, pp.101069. ⟨10.1016/j.nme.2021.101069⟩", Issue 4, 2020, ISSN 2352-1791
Publisher:
Elsevier Limited
DOI:
10.1016/j.nme.2021.101069
Author(s):
Ana Ruiz-Moreno, Peter Hähner, Francesco Fumagalli, Vendulka Haiblikova, Marcello Conte, Nicholas Randall
Published in:
Materials & Design, Issue 194, 2020, Page(s) 108950, ISSN 0264-1275
Publisher:
Elsevier BV
DOI:
10.1016/j.matdes.2020.108950
Author(s):
A. Dubinko, N. Castin, D. Terentyev, G. Bonny, M.J. Konstantinović
Published in:
Journal of Nuclear Materials, Issue 540, 2020, Page(s) 152395, ISSN 0022-3115
Publisher:
Elsevier BV
DOI:
10.1016/j.jnucmat.2020.152395
Author(s):
S.L. Dudarev, P.-W. Ma
Published in:
Physical Review Materials, 2018, ISSN 2475-9953
Publisher:
American Physical Society
DOI:
10.1103/physrevmaterials.2.033602
Author(s):
Jacob B. J. Chapman; Pui-Wai Ma; Sergei L. Dudarev
Published in:
Phys. Rev. B, Issue 5, 2020, ISSN 2469-9969
Publisher:
APS physics
DOI:
10.1103/physrevb.102.224106
Author(s):
J. P. Balbuena, Maria J. Caturla, E. Martinez
Published in:
Handbook of Materials Modeling - Applications: Current and Emerging Materials, 2018, Page(s) 1-22, ISBN 978-3-319-50257-1
Publisher:
Springer International Publishing
DOI:
10.1007/978-3-319-50257-1_120-1
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