Dr. Alexander Bakaev

Multiscale modelling of

  • radiation damage in austenitic steels (nucleation and growth of radiation defects)
  • hardening of austenitic steels under irradiation (interaction of dislocations with radiation defects)
  • radiation-induced degradation and plasma isotopes retention in materials for fusion applications
  • effects of minor alloying elements entering ferritic steels for nuclear applications

 

On the 10th of July 2014 Alexander Bakaev has been awarded with the ENEN PhD 2014 prize for the best presentation.

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A1 Publications

Published

2016

Glide of dislocations in < 1 1 1 >{321} slip system: an atomistic study , D. Terentyev, A. Bakaev, D. Van Neck, E. Zhurkin , Philosophical Magazine , 96 (1), 71-83 , 2016 , IF: 1.632 , 17/73 [Q1]

2015

Energetic stability of solute-carbon-vacancy complexes in bcc iron , A. Bakaev, D. Terentyev, E. Zhurkin, D. Van Neck , Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms , 352, 47-50 , 2015 , IF: 1.389 , 5/32 [Q1]
Hardening due to dislocation loop damage in RPV model alloys: role of Mn segregation , D. Terentyev, X. He, G. Bonny, A. Bakaev, E. Zhurkin, L. Malerba , Journal of Nuclear Materials , 457, 173–181 , 2015 , IF: 2.199 , 2/32 [Q1]

2014

Review of many-body central force potentials for tungsten , G. Bonny, D. Terentyev, A. Bakaev, P. Grigorev, D. Van Neck , Modelling and Simulation in Materials Science and Engineering , 22, 053001 , 2014 , IF: 2.167 , 77/259 [Q2]
Interaction of carbon-vacancy complex with minor alloying elements of ferritic steels , A. Bakaev, D. Terentyev, X. He, E. Zhurkin, D. Van Neck , Journal of Nuclear Materials , 451 (1-3), 82-87 , 2014 , IF: 1.865 , 2/34 [Q1]
Synergetic Effects of Mn and Si in the Interaction with Point Defects in bcc Fe , A. Bakaev, D. Terentyev, X. He, D. Van Neck , Journal of Nuclear Materials , 455 (1-3), 5-9 , 2014 , IF: 1.865 , 2/34 [Q1]
Dislocation mechanism of deuterium retention in tungsten under plasma implantation , V. Dubinko, D. Terentyev, P. Grigorev, A. Bakaev, G. Van Oost, F. Gao, D. Van Neck, E. Zhurkin , Journal of Physics: Condensed Matter , 26, 395001 , 2014 , IF: 2.346 , 20/67 [Q2]
Carbon-vacancy interaction controls lattice damage recovery in Iron , D. Terentyev, K. Heinola, A. Bakaev, E. Zhurkin , Scripta Materialia , 86, 9-12 , 2014 , IF: 3.224 , 3/74 [Q1]
Atomistic simulation of the interaction between mobile edge dislocations and radiation-induced defects in Fe-Ni-Cr austenitic alloys , A. Bakaev, D. Terentyev, P. Grigorev, E. Zhurkin , JOURNAL OF SURFACE INVESTIGATION-X-RAY SYNCHROTRON AND NEUTRON TECHNIQUES , 8 (2), 220-228 , 2014
Dislocations mediate hydrogen retention in tungsten , D. Terentyev, V. Dubinko, A. Bakaev, Y. Zayachuk, W. Van Renterghem, P. Grigorev , Nuclear Fusion , 54 (4), 042004 , 2014 , IF: 3.062 , 4/31 [Q1]
Effect of carbon decoration on the absorption of < 100 > dislocation loops by dislocations in iron , D. Terentyev, A. Bakaev , Journal of Physics: Condensed Matter , 26 (16), 165402 , 2014 , IF: 2.346 , 20/67 [Q2]
Deuterium accumulation in tungsten under low-energy high-flux plasma exposure , P. Grigorev, V. Dubinko, D. Terentyev, A. Bakaev, E. Zhurkin , JOURNAL OF SURFACE INVESTIGATION-X-RAY SYNCHROTRON AND NEUTRON TECHNIQUES , 8 (2), 234–238 , 2014
Interaction of minor alloying elements of high-Cr ferritic steels with lattice defects: An ab initio study , A. Bakaev, D. Terentyev, G. Bonny, T.P.C. Klaver, P. Olsson, D. Van Neck , Journal of Nuclear Materials , 444 (1-3), 237-246 , 2014 , IF: 1.865 , 2/34 [Q1]

2013

Molecular 7 dynamics simulation of the interaction of dislocations with radiation-induced defects in Fe-Ni-Cr austenitic alloys , A. Bakaev, D. Terentyev, E. Zhurkin, P. Grigorev , JOURNAL OF SURFACE INVESTIGATION-X-RAY SYNCHROTRON AND NEUTRON TECHNIQUES , 7 (2), 211-217 , 2013
On the thermal stability of late blooming phases in reactor pressure vessel steels: An atomistic study , G. Bonny, D. Terentyev, A. Bakaev, E. Zhurkin, M. Hou, L. Malerba , Journal of Nuclear Materials , 442 (1-3), 282–291 , 2013 , IF: 2.016 , 2/33 [Q1]
Radiation-induced strengthening and absorption of dislocation loops in ferritic Fe-Cr alloys: the role of Cr segregation , D. Terentyev, A. Bakaev , Journal of Physics: Condensed Matter , 25 (26), 265702 , 2013 , IF: 2.223 , 22/67 [Q2]
On the mobility of vacancy clusters in reduced activation steels: an atomistic study in the Fe-Cr-W model alloy , G. Bonny, N. Castin, J. Bullens, A. Bakaev, T.P.C. Klaver, D. Terentyev , Journal of Physics: Condensed Matter , 25 (31), 315401 , 2013 , IF: 2.223 , 22/67 [Q2]
Interaction of a screw dislocation with Frank loops in Fe-10Ni-20Cr alloy , D. Terentyev, A. Bakaev , Journal of Nuclear Materials , 442 (1-3), 208-217 , 2013 , IF: 2.016 , 2/33 [Q1]
Interaction of dislocations with Frank loops in Fe–Ni alloys and pure Ni: An MD study , D. Terentyev, A. Bakaev, Y. Osetsky , Journal of Nuclear Materials , 442 (1–3), S628–S632 , 2013 , IF: 2.016 , 2/33 [Q1]
Energetics of radiation defects in Fe-based austenitic alloys: Atomic scale study , A. Bakaev, D. Terentyev, X. He, E. Zhurkin , Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms , 303, 33–36 , 2013 , IF: 1.186 , 12/33 [Q2]

2012

On the thermal stability of vacancy–carbon complexes in alpha iron , D. Terentyev, G. Bonny, A. Bakaev, D. Van Neck , Journal of Physics: Condensed Matter , 24, 385401 , 2012 , IF: 2.355 , 20/68 [Q2]

2011

Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy , G. Bonny, D. Terentyev, R. C. Pasianot, S. Poncé, A. Bakaev , Modelling and Simulation in Materials Science and Engineering , 19 (8), 085008 , 2011 , IF: 2.298
Segregation of Cr at tilt grain boundaries in Fe-Cr alloys: A Metropolis Monte Carlo study , D. Terentyev, X. He, E. Zhurkin, A. Bakaev , Journal of Nuclear Materials , 408, 161–170 , 2011 , IF: 2.052

Non CMM publications (A1)

Simulation of doping and primary radiation damage to the SiC(111) surface under bombardment by Si (N) atomic and cluster ions (N=1, 5, and 60) using classical molecular dynamics , A. Bakaev, E. Zhurkin , JOURNAL OF SURFACE INVESTIGATION-X-RAY SYNCHROTRON AND NEUTRON TECHNIQUES , 5 2, 249-255 , 2011

Other Publications

Dissertations

(D1) , Radiation effects in structural steels for nuclear applications: an atomistic study , A. Bakaev , Supervisor(s): Prof. Dr. Dimitri Van Neck, Prof. Dr. Guido Van Oost, Dr. D. Terentyev , 10/10/2014

Keynote / Plenary / Invited talks

2014

Invited talk
Segregation-induced embrittlement in RPV steels: assessment by atomistic simulations , A. Bakaev, D. Terentyev, G. Bonny, E. Zhurkin, D. Van Neck , 8th ENEN PhD Event 2014 , Burgos, Spain , Wed, 09/07/2014 to Thu, 10/07/2014

Talks

2013

Ab initio study of synergetic effects of Mn and Si in the interaction with point defects in BCC Fe , A. Bakaev, D. Terentyev, D. Van Neck , 5th Workshop on Nuclear Fe Alloys (n-FAME) , Rome, Italy , Thu, 28/11/2013 to Fri, 29/11/2013
Ab initio study of basic properties of minor alloying elements in high-Cr ferritic steels , A. Bakaev, L. Malerba , 4th n-FAME and 22nd Fe-Cr alloys workshop , Edinburgh, Scotland , Tue, 04/06/2013 to Wed, 05/06/2013
Atomistic modelling of interaction of edge dislocations with radiation defects in austenitic alloys FeNiCr , A. Bakaev, D. Terentyev, P. Grigorev, E. Zhurkin , XXXXIII Tulinov conference. Physics of interaction of charged particles with crystals , Moscow, Russia , Tue, 28/05/2013 to Thu, 30/05/2013
Ab initio study of W-Ta (-H,-He) alloy for fusion applications , A. Bakaev , TEC PhD Day at DIFFER , Nieuwegein, Netherlands , p. , Fri, 25/01/2013

2012

Modelling of radiation hardening of austenitic alloys , A. Bakaev , 2nd Day of the PhD's 2012, SCK-CEN , Mol, Belgium , p. , Fri, 26/10/2012
Microchemistry of dislocation loops in ferritic Fe-Cr and Fe-Cu-Ni-Mn alloys studied by atomistic Metropolis Monte Carlo , G. Bonny, D. Terentyev, E. Zhurkin, A. Bakaev , COSIRES 2012 (COmputer SImulations of Radiation Effects in Solids) , Santa Fe, USA , p. , Sun, 24/06/2012 to Fri, 29/06/2012

2011

Interaction of W and Mo with vacancy defects in bcc Fe studied by ab initio methods , D. Terentyev, A. Bakaev, G. Bonny, V. Van Speybroeck , EMRS 2011 Spring Meeting , Nice, France , Mon, 09/05/2011 to Fri, 13/05/2011
Ab initio calculations towards development of Fe-Cr-X Interatomic Potentials , A. Bakaev , 18th Workshop on Multiscale Modelling and Basic Experiments of Iron-Chromium Alloys for Nuclear Applications , Dresden, Germany , p. , Wed, 04/05/2011 to Thu, 05/05/2011
Ab initio calculations in W-based alloys , A. Bakaev , PhD Day UG / FZJ / SCK.CEN , Julich, Germany , p. , Thu, 20/01/2011

Posters

2014

Synergy of interaction between point defects, carbon and typical alloying elements of Fe-based steels , A. Bakaev, D. Terentyev, D. Van Neck , COSIRES 2014: Computer Simulation of Radiation Effects in Solids , Alicante, Spain , Sun, 08/06/2014 to Fri, 13/06/2014
Interaction of moving dislocations with perfect dislocation loops in austenitic alloys FeNiCr , A. Bakaev, D. Terentyev, P. Grigorev, E. Zhurkin , XLIV Tulinov conference. Physics of interaction of charged particles with crystals , Moscow, Russia , Tue, 27/05/2014 to Thu, 29/05/2014
Synergetic effects of Mn and Si in the interaction with point defects in bcc Fe , A. Bakaev, D. Terentyev, D. Van Neck , International Conference: Towards Reality in Nanoscale Materials VII , Levi, Finland , Mon, 10/02/2014 to Wed, 12/02/2014

2013

Ab initio modeling of fusion reactor materials: Unravelling the hydrogen retention mechanisms , A. Bakaev, P. Grigorev, V. Dubinko, D. Terentyev, W. Van Renterghem, G. Van Oost , International Conference on Scientific Computing 2013 , Paphos, Cyprus , Tue, 03/12/2013 to Fri, 06/12/2013
Modelling the interaction of radiation defects with dislocation in Fe-10Ni-20Cr alloys , A. Bakaev, D. Terentyev, X. He , 16th International Conference On Fusion Reactor Materials , Beijing, China , Sun, 20/10/2013 to Sat, 26/10/2013
Interaction of minor alloying elements with lattice defects in ferritic high-Cr steels: ab initio study , A. Bakaev, D. Terentyev, P. Olsson, X. He , 16th International Conference On Fusion Reactor Materials , Beijing, China , Sun, 20/10/2013 to Sat, 26/10/2013
Trapping of H on dislocations and grain boundaries in W alloys: an atomistic study , A. Bakaev, P. Grigorev, V. Dubinko, D. Terentyev, W. Van Renterghem, G. Van Oost , 14th International Conference on Plasma-Facing Materials and Components for Fusion Applications , Julich, Germany , Mon, 13/05/2013 to Fri, 17/05/2013

2012

Interaction of Dislocations with Frank Loops in FeNiCr Austenitic Alloys , A. Bakaev, G. Bonny , MMM-2012 (Multiscale Materials Modeling) , Biopolis, Singapore , Mon, 15/10/2012 to Fri, 19/10/2012
CHARACTERIZATION OF RADIATION DEFECTS IN Fe-BASED AUSTENITIC ALLOYS , A. Bakaev, D. Terentyev, E. Zhurkin , COSIRES 2012 (COmputer SImulations of Radiation Effects in Solids) , Santa Fe, USA , Sun, 24/06/2012 to Fri, 29/06/2012
Molecular dynamics modelling of interaction of dislocations with radiation defects in austenitic alloys FeNiCr , A. Bakaev, P. Grigorev, E. Zhurkin, D. Terentyev , ХХXXII Tulinov conference. Physics of interaction of charged particles with crystals , Moscow, Russia , Tue, 29/05/2012 to Thu, 31/05/2012

2011

Plastic deformation of Fe-Ni-Cr alloys under irradiation: atomic-level study , A. Bakaev, D. Van Neck, G. Van Oost, D. Terentyev , Day of the PhD's 2011, SCK-CEN , Mol, Belgium , Thu, 06/10/2011

Funding