Giovanni Bonny

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Bonny, Giovanni

  • Microstructural and Non-destructive Analysis

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  1. A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations

    Messina, L., Quaglino, A., Goryaeva, A., Marinica, M-C., Domain, C., Castin, N., Bonny, G. & Krause, R., 15 Nov 2020, In : Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 483, p. 15-21 7 p.

    Research output: Contribution to journal › Article

  2. Anisotropy in the hardness of single crystal tungsten before and after neutron irradiation

    Yin, C., Bonny, G. & Terentyev, D., 28 Dec 2020, In : Journal of Nuclear Materials. 546, p. 1-7 7 p., 152759.

    Research output: Contribution to journal › Article

  3. Effect of SieNieP on the emergence of dislocations loops in Fee9Cr matrix under neutron irradiation: TEM study and OKMC modelling

    Dubinko, A., Castin, N., Terentyev, D., Bonny, G. & Konstantinovic, M., 15 Jul 2020, In : Journal of Nuclear Materials. 540, p. 1-14 14 p., 152395.

    Research output: Contribution to journal › Article

  4. Trends in vacancy distribution and hardness of high temperature neutron irradiated single crystal tungsten

    Bonny, G., Konstantinovic, M., Bakaeva, A., Yin, C., Castin, N., Mergia, K., Chatzikos, V., Dellis, S., Khvan, T., Bakaev, A., Dubinko, A. & Terentyev, D., 1 Oct 2020, In : Acta Materialia. 198, p. 1-9 9 p.

    Research output: Contribution to journal › Article

  5. Modelling phase separation in Fe–Cr system using different atomistic kinetic Monte Carlo techniques

    Castin, N., Bonny, G., Terentyev, D., Lavrentiev, M. Y. & Nguyen-Manh, D., 2011, In : Journal of Nuclear Materials. 417, 1-3, p. 1086-1089 4 p.

    Research output: Contribution to journal › Article

  6. Further development of large-scale atomistic modelling techniques for Fe–Cr alloys

    Terentyev, D., Bonny, G., Castin, N., Domain, C., Malerba, L., Olsson, P., Molodtsov, V. L. & Pasianot, R. C., 15 Feb 2011, In : Journal of Nuclear Materials. 409, 2, p. 167-175 9 p.

    Research output: Contribution to journal › Article

  7. The dominant mechanisms for the formation of solute-rich clusters in low-Cu steels under irradiation

    Castin, N., Bonny, G., Bakaev, A., Bergner, F., Domain, C., Hyde, J. M., Messina, L., Radiguet, B. & Malerba, L., 3 Jul 2020, In : Materials Today Energy. 100472.

    Research output: Contribution to journal › Article

  8. The effect on the mechanical response of Cr and Ni segregation on dislocation lines in bcc Fe

    Pascuet, M. I., Bonny, G., Monnet, G. & Malerba, L., Oct 2020, In : Journal of Nuclear Materials. 539, p. 1-9 9 p., 152319.

    Research output: Contribution to journal › Article

  9. Effects of cascade-induced dislocation structures on the long-term microstructural evolution in tungsten

    Bonny, G., Castin, N., Bakaev, A., Sand, A. & Terentyev, D., Aug 2020, In : Computational Materials Science. 181, p. 1-10 10 p., 109727.

    Research output: Contribution to journal › Article

  10. Models and regressions to describe primary damage in silicon carbide

    Bonny, G., Buongiorno, L., Bakaev, A. & Castin, N., 26 Jun 2020, In : Scientific Reports. 10, p. 1-10 10 p., 10483.

    Research output: Contribution to journal › Article

  11. The effect of rhenium on the diffusion of small interstitial clusters in tungsten

    Castin, N., Dwivedi, P., Bakaev, A., Terentyev, D., Bonny, G. & Messina, L., May 2020, In : Computational Materials Science. 177, p. 1-7 7 p., 109580.

    Research output: Contribution to journal › Article

  12. Assessment of hardening due to non-coherent precipitates in tungsten-rhenium alloys at the atomic scale

    Bonny, G., Bakaev, A., Terentyev, D., Leenaers, A. & Terentyev, D., 1 Jan 2019, In : Scientific Reports. 9, p. 1-10 10 p., 16215.

    Research output: Contribution to journal › Article

  13. Energetic Stability of Vacancy-Carbon Clusters in Solid Solution Alloys: The Fe-Cr-C Case

    Bonny, G., Bakaev, A. & Terentyev, D., 1 Nov 2019, In : Physica Status Solidi (B). 256, 11, p. 1-6 6 p., 1900130.

    Research output: Contribution to journal › Article

  14. Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

    Bakaev, A., Zinovev, A., Terentyev, D., Bonny, G., Yin, C., Castin, N. & Mastrikov, Y., 19 Aug 2019, In : Journal of Applied Physics. 126, 7, p. 1-17 17 p., 075110.

    Research output: Contribution to journal › Article

  15. The influence of carbon impurities on the formation of loops in tungsten irradiated with self-ions

    Castin, N., Dubinko, A., Bonny, G., Bakaev, A. & Terentyev, D., 15 Dec 2019, In : Journal of Nuclear Materials. 527, p. 8 1 p., 151808.

    Research output: Contribution to journal › Article

  16. Thermal stability and the structure of vacancy–solute clusters in iron alloys

    Konstantinovic, M. & Bonny, G., 15 Feb 2015, In : Acta Materialia. 85, p. 107-111 4 p.

    Research output: Contribution to journal › Article

  17. Materials research for nuclear fusion energy - Analysing the flow properties of Eurofer91

    Vermeersch, A., Bonny, G. & Terentyev, D., 1 Jul 2019, 58 p.

    Research output: Thesis › Master's thesis

  18. Atomistic study of radiation damage in advanced SiC grades

    Buongiorno, L. & Bonny, G., 1 Jul 2019, 119 p.

    Research output: Thesis › Master's thesis

  19. Classical interatomic potential for quaternary Ni–Fe–Cr–Pd solid solution alloys

    Bonny, G., Chakraborty, D., Pandey, S., Manzoor, A., Castin, N., Phillpot, S. R. & Aidhy, D. S., 2 Aug 2018, In : Modelling and Simulation in Materials Science and Engineering. 26, 6, p. 1-21 21 p., 065014.

    Research output: Contribution to journal › Article

  20. Neutron-induced damage simulations: Beyond defect production cross-section, displacement per atom and iron-based metrics

    Sublet, J. C., Bondarenko, I. P., Bonny, G., Conlin, J. L., Gilbert, M. R., Greenwood, L. R., Griffin, P. J., Helgesson, P., Iwamoto, Y., Khryachkov, T. A., Konobeyev, A., Lazarev, N., Luneville, L., Mota, F., Ortiz, C. J., Rochman, D., Simakov, S. P., Simeone, D., Simeone, D., Terentyev, D. & Villa, R., 23 Jul 2019, In : The European Physical Journal Plus. 134, 350, p. 1-50 50 p.

    Research output: Contribution to journal › Article

  21. The impact of alloying elements on the precipitation stability and kinetics in iron based alloys: An atomistic study

    Bonny, G., Domain, C., Castin, N., Malerba, L. & Olsson, P., 28 Feb 2019, In : Computational Materials Science. 161, p. 309-320 12 p.

    Research output: Contribution to journal › Article

  22. Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe

    Pascuet, M. I., Monnet, G., Martinez, E., Lim, J. J. H., Burke, M. G., Bonny, G. & Malerba, L., 3 Apr 2019, In : Journal of Nuclear Materials. June 2019, p. 265-273 9 p.

    Research output: Contribution to journal › Article

  23. Molecular dynamics simulation of hydrogen and helium trapping in tungsten

    Grigorev, P., Zinovev, A., Terentyev, D., Bonny, G., Zhurkin, E. E., Van Oost, G. & Noterdaeme, J. M., 25 May 2018, In : Journal of Nuclear Materials. 508, p. 451-458 8 p.

    Research output: Contribution to journal › Article

  24. Object kinetic Monte Carlo model for neutron and ion irradiation in tungsten: Impact of transmutation and carbon impurities

    Castin, N., Bonny, G., Bakaev, A., Ortiz, C. J., Sand, A. E. & Terentyev, D., 2018, In : Journal of Nuclear Materials. 500, p. 15-25 10 p.

    Research output: Contribution to journal › Article

  25. Kinetic Monte Carlo model for 1-D migration in a field of strong traps: Application to self-interstitial clusters in W-Re alloys

    Bonny, G., Castin, N., Bakaev, A. & Terentyev, D., 1 Jan 2018, In : Computational Materials Science. 144, p. 335-362 27 p.

    Research output: Contribution to journal › Article

  26. Atomistic study of the hardening of ferritic iron by Ni-Cr decorated dislocation loops

    Bonny, G., Bakaev, A., Terentyev, D., Zhurkin, E. E. & Posselt, M., 1 Jan 2018, In : Journal of Nuclear Materials. 498, 01, p. 430-437 8 p.

    Research output: Contribution to journal › Article

  27. Density functional theory-based cluster expansion to simulate thermal annealing in FeCrW alloys

    Bonny, G., Castin, N., Domain, C., Olsson, P., Verreyken, B., Pascuet, M. I. & Terentyev, D., 1 Jan 2017, In : Philosophical Magazine. 97, 5 (299-317), p. 299-317 20 p.

    Research output: Contribution to journal › Article

  28. Nucleation and growth of hydrogen bubbles on dislocations in tungsten under high flux low energy plasma exposure

    Grigorev, P., Terentyev, D., Dubinko, V. I., Bonny, G., Van Oost, G., Noterdaeme, J. M. & Zhurkin, E. E., 1 Jun 2015, In : Nuclear Instruments and Methods in Physics Research Section B. 352, p. 96-99 3 p.

    Research output: Contribution to journal › Article

  29. Hardening due to dislocation loop damage in RPV model alloys: Role of Mn segregation

    Terentyev, D., Bonny, G., Bakaev, A., Zhurkin, E. E. & Malerba, L., 14 Feb 2015, In : Journal of Nuclear Materials. 457, p. 173-181 9 p.

    Research output: Contribution to journal › Article

  30. Assessment of the dislocation bias in fcc metals and extrapolation to austenitic steels

    Chang, Z., Sandberg, N., Terentyev, D., Samuelsson, C., Bonny, G. & Olsson, P., 3 Oct 2015, In : Journal of Nuclear Materials. 465, p. 13-19 6 p.

    Research output: Contribution to journal › Article

  31. Interatomic potential to study the formation of NiCr clusters in high Cr ferritic steels

    Bonny, G., Bakaev, A., Olsson, P., Domain, C., Zhurkin, E. E. & Posselt, M., 17 Nov 2016, In : Journal of Nuclear Materials. 484, p. 42-50 8 p.

    Research output: Contribution to journal › Article

  32. Exact mean field concept to compute defect energetics in random alloys on rigid lattices

    Bonny, G., Castin, N., Pascuet, I. & Çelik, Y., 1 Jan 2017, In : Physica B: Condensed Matter. 517, p. 25-29 4 p.

    Research output: Contribution to journal › Article

  33. Interatomic potential to study plastic deformation in tungsten-rhenium alloys

    Bonny, G., Bakaev, A., Terentyev, D. & Mastrikov, Y., 1 Jan 2017, In : Journal of Applied Physics. 121, 165107.

    Research output: Contribution to journal › Article

  34. On the onset of void swelling in pure tungsten under neutron irradiation: An object kinetic Monte Carlo approach

    Castin, N., Bakaev, A., Bonny, G., Malerba, L. & Terentyev, D., 17 Jun 2017, In : Journal of Nuclear Materials.

    Research output: Contribution to journal › Article

  35. Displacement cascades in Fe-Ni-Mn-Cu alloys: RVP model alloys: Journal of Nuclear Materials, vol. 475, p. 132-139, DOI

    Terentyev, D., Bonny, G. & Zinovev, A., 1 Jun 2016, In : Journal of Nuclear Materials. 475, p. 132-138

    Research output: Contribution to journal › Article

  36. Mobility of hydrogen-helium clusters in tungsten studied by molecular dynamics

    Terentyev, D., Bonny, G., Grigorev, P., Zhurkin, E. E., Van Oost, G. & Noterdaeme, J-M., 1 Jun 2016, In : Journal of Nuclear Materials. 474, p. 143-149

    Research output: Contribution to journal › Article

  37. Analysis of Radiation Damage in Light Water Reactors: Comparison of Cluster Analysis Methods for the Analysis of Atom Probe Data

    Hyde, J. M., DaCosta, G., Hatzoglou, C., Weekes, H. A., Radiguet, B., Styman, P. D., Vurpillot, F., Pareige, C., Etienne, A., Bonny, G., Castin, N., Malerba, L. & Pareige, P., 30 Jan 2017, In : Microscopy and Microanalysis. 23, Special Issue 2, p. 366-375 10 p., 28132662.

    Research output: Contribution to journal › Special issue

  38. Elastic properties of the sigma W-Re phase: A first principles investigation

    Bonny, G., Bakaev, A., Terentyev, D. & Mastrikov, Y., 29 Sep 2016, In : Scripta Materialia. 128, p. 45 48 p.

    Research output: Contribution to journal › Article

  39. Inconsistencies in modelling interstitials in FeCr with empirical potentials

    Klaver, P., del Rio, E., Bonny, G., Eich, S. & Caro, A., 20 Apr 2016, In : Computational Materials Science. 121, p. 204-208 5 p.

    Research output: Contribution to journal › Article

  40. Assessment of hardening due to dislocation loops in bcc iron: Overview and analysis of atomistic simulations for edge dislocations

    Bonny, G., Terentyev, D., Elena, J., Zinovev, A., Minov, B. & Zhurkin, E., 2 Mar 2016, In : Journal of Nuclear Materials. 473, p. 283-289 7 p.

    Research output: Contribution to journal › Article

  41. Calculation of proper energy barriers for atomistic kinetic Monte Carlo simulations on rigid lattice with chemical and strain field long-range effects using artificial neural networks

    Castin, N., Malerba, L., Terentyev, D. & Bonny, G., 21 Feb 2010, In : The Journal of Chemical Physics. 132, 7, p. 074507-074507

    Research output: Contribution to journal › Article

  42. Characterization of dislocation loops and chromium-rich precipitates in ferritic iron-chromium alloys as means of void swelling suppression

    Terentyev, D., Olsson, P., Malerba, L., Barashev, A. V. & Bonny, G., 31 May 2007, In : Journal of Nuclear Materials. 362, 2-3, p. 167-173

    Research output: Contribution to journal › Article

  43. Radiation-induced strengthening and absorption of dislocation loops in ferritic Fe–Cr alloys: the role of Cr segregation

    Terentyev, D., Bakaev, A. & Bonny, G., 12 Jun 2013, In : Journal of Physics: Condensed Matter. 25, 26, p. 1-11

    Research output: Contribution to journal › Article

  44. Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies

    Terentyev, D., Bonny, G., Domain, C., Monnet, G., Malerba, L. & Bakaev, A., Nov 2013, In : Journal of Nuclear Materials. 442, 1-3, p. 470-485

    Research output: Contribution to journal › Article

  45. Interstitial helium diffusion mechanisms in 〈1 1 0〉 tilt grain boundaries in BCC FeCr alloys: A atomistic study

    He, X., Terentyev, D., Lin, Y., Yang, W. & Bonny, G., Nov 2013, In : Journal of Nuclear Materials. 442, 1-3, p. 660-666

    Research output: Contribution to journal › Article

  46. Prediction of point-defect migration energy barriers in alloys using artificial intelligence for atomistic kinetic Monte Carlo applications

    Castin, N., Malerba, L. & Bonny, G., Jun 2009, In : Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 267, p. 3148-3151

    Research output: Contribution to journal › Article

  47. Fe-Cu-Ni many-body potential consistent with thermodynamics

    Bonny, G., Pasianot, R., Castin, N., Malerba, L. & Al Mazouzi, A., 27 Oct 2008, Tackling Materials Complexities via Computational Science. Tallahassee, FL, United States, p. 619-622

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  48. Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation

    Malerba, L., Bonny, G., Terentyev, D., Zhurkin, E., Hou, M., Vörtler, K., Nordlund, K. & Castin, N., 26 Oct 2013, In : Journal of Nuclear Materials. 442, 1-3, p. 486-498

    Research output: Contribution to journal › Article

  49. The hardening of iron–chromium alloys under thermal ageing: An atomistic study

    Bonny, G., Terentyev, D., Malerba, L. & Lucon, E., 31 Mar 2009, In : Journal of Nuclear Materials. 385, 2, p. 278-283

    Research output: Contribution to journal › Article

  50. New Approach To Model Point Defects Migration Using A Monte-Carlo Paradigm Coupled With Artificial Intelligence.

    Castin, N., Malerba, L., Bonny, G. & Terentyev, D., Oct 2008, Proceedings of the Fourth International Conference on Multiscale Materials Modeling. Tallahassee, FL, United States

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  51. Simulation of displacement cascades in Fe90Cr10 using a two band model potential

    Björkas, C., Nordlund, K., Malerba, L., Terentyev, D., Olsson, P. & Bonny, G., Jan 2008, In : Journal of Nuclear Materials. 372, 2-3, p. 312-317

    Research output: Contribution to journal › Article

  52. Mobility of dislocations in thermal aged and irradiated Fe-Cr alloys

    Terentyev, D., Bonny, G., Malerba, L. & Chaouadi, R., 30 Apr 2009, In : Journal of Nuclear Materials. 386-388, p. 257-260

    Research output: Contribution to journal › Article

  53. Ordering and clustering in FeCr binary alloys : An atomistic simulation study

    Bonny, G., Malerba, L., Terentyev, D., Olsson, P., Domain, C., Lucon, E. & Decréton, M., 18 Sep 2006, 3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany. Stuttgart, Germany, Vol. 1. p. 752-754

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  54. Overview of interatomic potentials

    Bonny, G., Malerba, L. & Al Mazouzi, A., 25 Nov 2005, 1 ed. SCK CEN. 25 p. (SCK•CEN Reports; no. BLG-1022)

    Research output: Report/book › BLG - Open report

  55. Solving the Puzzle of (100) Interstitial Loop Formation in bcc Iron

    Xu, H., Stoller, R. E., Osetsky, Y. N., Terentyev, D. & Bonny, G., 26 Jun 2013, In : Physical review Letters. 110, p. 1-5

    Research output: Contribution to journal › Article

  56. Stability and mobility of Cu–vacancy clusters in Fe–Cu alloys: A computational study based on the use of artificial neural networks for energy barrier calculations

    Pascuet, M. I., Castin, N., Becquart, C., Malerba, L., Terentyev, D. & Bonny, G., 1 May 2011, In : Journal of Nuclear Materials. 421, 1, p. 106-115

    Research output: Contribution to journal › Article

  57. Structure and strength of <1 1 0 > tilt grain boundaries in bcc Fe: An atomistic study

    Terentyev, D., He, X., Serra, A., Kuriplach, J. & Bonny, G., 1 Aug 2010, In : Computational Materials Science. 49, 2, p. 419-429

    Research output: Contribution to journal › Article

  58. The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys

    Vörtler, K., Juslin, N., Bonny, G., Malerba, L., Nordlund, K. & Terentyev, D., 16 Aug 2011, In : Journal of Physics: Condensed Matter. 23, 35, p. 355007-13

    Research output: Contribution to journal › Article

  59. On the thermal stability of vacancy-carbon complexes in alpha iron

    Terentyev, D., Bonny, G., Bakaev, A., Van Neck, D. & Konstantinovic, M., 1 Jan 2012, In : Journal of Physics: Condensed Matter. 24, 38, p. 385401-385401

    Research output: Contribution to journal › Article

  60. Many-Body Interatomic Potentials for the Study of Radiation Effects in Nuclear Structural Materials

    Bonny, G. & Terentyev, D., 29 Jun 2009, Gent, Belgium: UGent - Universiteit Gent. 226 p.

    Research output: Thesis › Doctoral thesis

  61. Dislocations mediate hydrogen retention in tungsten

    Terentyev, D., Dubinko, A., Bakaev, A., Zayachuk, Y., Van Renterghem, W., Grigorev, P. & Bonny, G., 21 Mar 2014, In : International Atomic Energy Agency 10.1088/0029-5515/54/4/042004. 54, 4, p. 1-5

    Research output: Contribution to journal › Article

  62. Interplay of strengthening mechanisms in the interaction of a 1/2<1 1 1 > screw dislocation with Cr precipitates in bcc Fe: An atomistic study

    Terentyev, D., Bonny, G., Malerba, L. & Lucon, E., 15 Sep 2009, In : Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 267, 18, p. 3155-3158

    Research output: Contribution to journal › Article

  63. The influence of short range order on the thermodynamics of Fe-Cr alloys

    Bonny, G., Erhart, P., Caro, A., Pasianot, R., Malerba, L., Caro, M. & Lucon, E., 20 Jan 2009, In : Modelling and Simulation in Materials Science and Engineering. 17, 2, p. 025006-025006

    Research output: Contribution to journal › Article

  64. Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron

    Terentyev, D., Monnet, G., Grigorev, P. & Bonny, G., Oct 2013, In : Scripta Materialia. 69, 8, p. 578-581

    Research output: Contribution to journal › Article

  65. Confinement of motion of interstitial clusters and dislocation loops in BCC Fe-Cr alloys

    Terentyev, D., Klimenkov, M., Malerba, L. & Bonny, G., 1 Aug 2009, In : Journal of Nuclear Materials. 393, 1, p. 30-35 5 p.

    Research output: Contribution to journal › Article

  66. Aspects of radiation damage effects in Fe-Cr alloys from the point of view of atomistic modelling

    Terentyev, D., Olsson, P. & Bonny, G., 1 Mar 2009, In : Problems in Atomic Science and Technology. 4, p. 68-79

    Research output: Contribution to journal › Article

  67. Carbon–vacancy interaction controls lattice damage recovery in iron

    Ternon, C., Heinola, K., Bakaev, A., Zhurkin, E. & Bonny, G., Sep 2014, In : Scripta Materialia. 86, p. 9-12

    Research output: Contribution to journal › Article

  68. Emission of full and partial dislocations from a crack in BCC and FCC metals: An atomistic study

    Terentyev, D., Zhurkin, E. E., Bonny, G. & Konstantinovic, M., 1 Feb 2012, In : Computational Materials Science. 55, 1, p. 313-321

    Research output: Contribution to journal › Article

  69. Determination of the phase diagram from interatomic potentials: The iron–chromium case

    Bonny, G., Pasianot, R., Zhurkin, E., Hou, M. & Malerba, L., Apr 2011, In : Computational Materials Science. 50, 7, p. 2216-2220

    Research output: Contribution to journal › Article

  70. Numerical prediction of thermodynamic properties of iron–chromium alloys using semi-empirical cohesive models: The state of the art

    Bonny, G., Pasianot, R., Malerba, L., Caro, A., Olsson, P., Lavrentiev, M. & Lucon, E., 31 Mar 2009, In : Journal of Nuclear Materials. 385, 2, p. 268-277

    Research output: Contribution to journal › Article

  71. Cr segregation on dislocation loops enhances hardening in ferritic Fe–Cr alloys

    Terentyev, D., Bergner, F., Osetsky, Y. & Bonny, G., Mar 2013, In : Acta Materialia. 61, 5, p. 1444-1453

    Research output: Contribution to journal › Article

  72. Diffusion of 3D-migrating self-interstitial clusters in diluted and concentrated Fe-Cr alloys

    Terentyev, D., Olsson, P., Malerba, L. & Bonny, G., 30 Apr 2009, In : Journal of Nuclear Materials. 386-388, p. 140-142

    Research output: Contribution to journal › Article

  73. Many-body interatomic U and Al–U potentials

    Pascuet, M. I., Bonny, G., Fernandez, J. & Castin, N., 9 Mar 2012, In : Journal of Nuclear Materials. 424, 1-3, p. 158-163

    Research output: Contribution to journal › Article

  74. Identification and characterization of Cr-rich precipitates in FeCr alloys : An atomistic study

    Bonny, G., Terentyev, D., Malerba, L., Castin, N. & Al Mazouzi, A., 6 Sep 2007, In : Computational Materials Science. 42, 1, p. 107-112

    Research output: Contribution to journal › Article

  75. Atomistic kinetic Monte Carlo simulation of precipitation and segregation in metals for nuclear applications, using a novel methodology based on artificial neural networks

    Castin, N., Malerba, L., Terentyev, D. & Bonny, G., Jun 2011, Brussels, Belgium: ULB - Université Libre de Bruxelles. 252 p.

    Research output: Thesis › Doctoral thesis

  76. Many-body interatomic potentials to model radiation damage in reactor pressure vessel steels and in-core components

    Bonny, G., Pasianot, R., Malerba, L. & Al Mazouzi, A., 4 Jun 2009, Proceedings of the 2nd International Youth Conference on Energetics. Budapest, Hungary

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  77. Fe-Ni many-body potential for metallurgical applications

    Bonny, G., Pasianot, R., Malerba, L. & Al Mazouzi, A., 21 Jan 2009, In : Modelling and Simulation in Materials Science and Engineering. 17, 2, p. 025010-025010

    Research output: Contribution to journal › Article

  78. Interatomic potentials consistent with thermodynamics: the cases of FeCu and FeCr

    Pasianot, R. C., Bonny, G., Malerba, L. & Terentyev, D., Sep 2006, MMM*** Third International Conference Multiscale Materials Modeling. Stuttgart, Germany, Vol. 1. p. 783-785

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  79. Formation of stable sessile interstitial complexes in reactions between glissile dislocation loops in bcc Fe

    Terentyev, D., Malerba, L., Klaver, P., Olsson, P. & Bonny, G., Nov 2008, In : Journal of Nuclear Materials. 382, 2-3, p. 126-133

    Research output: Contribution to journal › Article

  80. Benchmarking FeCr empirical potentials against density functional theory data

    Klaver, P., Bonny, G., Olsson, P., Terentyev, D. & Malerba, L., 24 Aug 2010, In : Modelling and Simulation in Materials Science and Engineering. 18, 7, p. 075004-075004

    Research output: Contribution to journal › Article

  81. Modeling the first stages of Cu precipitation in α-Fe using a hybrid atomistic kinetic Monte Carlo approach

    Castin, N., Pascuet, M. I., Malerba, L., Terentyev, D. & Bonny, G., Aug 2011, In : The Journal of Chemical Physics. 135, 6, p. 064502-064502

    Research output: Contribution to journal › Article

  82. Effect of Cr atoms on the formation of double kinks in screw dislocations in Fe and its correlation with solute hardening and softening in Fe–Cr alloys

    Terentyev, D., Malerba, L. & Bonny, G., May 2008, In : Computational Materials Science. 43, 4, p. 855-866

    Research output: Contribution to journal › Article

  83. Interaction of carbon with vacancy and self-interstitial atom clusters in a-iron studied using metallic–covalent interatomic potential

    Terentyev, D., Anento, N., Serra, A., Jansson, V., Khater, H. & Bonny, G., 31 Jan 2011, In : Journal of Nuclear Materials. 408, 3, p. 272-284 13 p.

    Research output: Contribution to journal › Article

  84. Strengthening due to coherent Cr precipitates in Fe–Cr alloys: Atomistic simulations and theoretical models

    Terentyev, D., Bonny, G., Malerba, L. & Chaouadi, R., 1 Mar 2008, In : Acta Materialia. 56, 13, p. 3229-3235

    Research output: Contribution to journal › Article

  85. Multiscale modelling of radiation effects in nuclear materials

    Malerba, L., Bertolus, M. & Bonny, G., Dec 2014, Conference Proceedings FISA 2013 - 8th European conference on Euratom research and training in reactor systems. Luxembourg, Luxembourg, Vol. 1. p. 407-429

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  86. Energetics of radiation defects in Fe-based austenitic alloys: Atomic scale study

    Bakaev, A., Terentyev, D., He, X., Zhurkin, E. & Bonny, G., 15 May 2013, In : Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 303, p. 33-36

    Research output: Contribution to journal › Article

  87. Dimensionality of interstitial He migration in <1 1 0 > tilt grain boundaries in alpha-Fe

    Terentyev, D., He, X. & Bonny, G., 1 Oct 2010, In : Computational Materials Science. 49, 4, p. 858-864

    Research output: Contribution to journal › Article

  88. Interaction of dislocations with Frank loops in Fe–Ni alloys and pure Ni: An MD study

    Terentyev, D., Bakaev, A., Osetsky, Y. N. & Bonny, G., Nov 2013, In : Journal of Nuclear Materials. 442, 1-3, p. S628-S632

    Research output: Contribution to journal › Article

  89. New contribution to the thermodynamics of Fe-Cr alloys as base for ferritic steels

    Bonny, G., Terentyev, D., Malerba, L. & Castin, N., 6 Aug 2010, In : Journal of phase equilibria and diffusion. 31, 5, p. 439-444

    Research output: Contribution to journal › Article

  90. Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy

    Bonny, G., Castin, N. & Terentyev, D., 23 Oct 2013, In : Modelling and Simulation in Materials Science and Engineering. 21, 8, p. 1-15

    Research output: Contribution to journal › Article

  91. Primary radiation damage in bcc Fe and Fe–Cr crystals containing dislocation loops

    Terentyev, D., Vortler, K., Bjorkas, C., Nordlund, K., Malerba, L. & Bonny, G., 1 Oct 2011, In : Journal of Nuclear Materials. 417, 1-3, p. 1063-1066

    Research output: Contribution to journal › Article

  92. On the alpha - alpha-prime miscibility gap of Fe-Cr alloys

    Bonny, G., Terentyev, D., Malerba, L. & Lucon, E., 23 Aug 2008, In : Scripta Materialia. 59, 11, p. 1193-1196

    Research output: Contribution to journal › Article

  93. Interatomic potentials consistent with thermodynamics: the FeCu system

    Pasianot, R. C., Malerba, L. & Bonny, G., Feb 2007, In : Journal of Nuclear Materials. 360, 2, p. 118-127

    Research output: Contribution to journal › Article

  94. Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

    Bonny, G., Pasianot, R. C., Castin, N., Malerba, L. & Terentyev, D., 1 Dec 2009, In : Philosophical Magazine. 89, 34-36, p. 3531-3546

    Research output: Contribution to journal › Article

  95. Characterisation of dislocation behaviour in RPV steel

    Monnet, G., Domain, C., Bacon, D., Terentyev, D. & Bonny, G., 1 May 2009, In : Problems in Atomic Science and Technology. 4, p. 42-51

    Research output: Contribution to journal › Article

  96. Critical assessment of Cr-rich precipitates in neutron-irradiated Fe–12 at%Cr: Comparison of SANS and APT

    Bergner, F., Pareige, C., Kuksenko, V., Malerba, L., Pareige, P., Ulbricht, A., Wagner, A. & Bonny, G., Oct 2013, In : Journal of Nuclear Materials. 442, 1-3, p. 463-469

    Research output: Contribution to journal › Article

  97. Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation

    Soisson, F., Becquart, C., Castin, N., Domain, C., Malerba, L., Vincent, E., Terentyev, D. & Bonny, G., Nov 2010, In : Journal of Nuclear Materials. 406, 1, p. 55-67

    Research output: Contribution to journal › Article

  98. Molecular dynamics and Metropolis Monte Carlo studies with embedded-atom-method potentials in Fe-Cr alloys

    Malerba, L., Bonny, G., Terentyev, D., Zhurkin, E., Hou, M., Vörtler, K., Nordlund, K., Domain, C., Del Rio, E. & Castin, N., Oct 2011, 0 ed. SCK CEN. 58 p. (SCK•CEN Reports; no. BLG-1081)

    Research output: Report/book › BLG - Open report

  99. Effect of carbon decoration on the absorption of (100) dislocation loops by dislocations in iron

    Terentyev, D., Bakaev, A., Zhurkin, E. & Bonny, G., Apr 2014, In : Journal of Physics: Condensed Matter. 26, 16, p. 1-10

    Research output: Contribution to journal › Article

  100. On the thermal stability of late blooming phases in reactor pressure vessel steels: An atomistic study

    Bonny, G., Terentyev, D., Bakaev, A., Zhurkin, E., Hou, M., Van Neck, D. & Malerba, L., 3 Sep 2013, In : Journal of Nuclear Materials. 442, 1-3, p. 282-291

    Research output: Contribution to journal › Article

  101. Interatomic Potential to Simulate Radiation Damage in Fe-Cr Alloys

    Bonny, G., Pasianot, R., Terentyev, D., Malerba, L. & Castin, N., Mar 2011, 0 ed. SCK CEN. 38 p. (SCK•CEN Reports; no. BLG-1077)

    Research output: Report/book › BLG - Open report

  102. Interaction of a screw dislocation with Frank loops in Fe–10Ni–20Cr alloy

    Terentyev, D., Bakaev, A. & Bonny, G., Nov 2013, In : Journal of Nuclear Materials. 442, 1-3, p. 208-217

    Research output: Contribution to journal › Article

  103. Interatomic potentials for alloys: Fitting concentration dependent properties

    Bonny, G., Pasianot, R. C., Malerba, L. & Lucon, E., 11 Mar 2009, In : Philosophical Magazine. 89, 8, p. 711-725

    Research output: Contribution to journal › Article

  104. Modelling of Radiation Damage in FeCr Alloys

    Malerba, L., Terentyev, D., Bonny, G., Barashev, A. V., Björkas, C., Juslin, N., Nordlund, K., Domain, C., Olsson, P., Sandberg, N., Wallenius, J. & Al Mazouzi, A., Jul 2007, In : Journal of ASTM International. 4, 6, p. 1-19

    Research output: Contribution to journal › Article

  105. Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy

    Bonny, G., Terentyev, D., Pasianot, R. C., Poncé, S., Bakaev, A. & Malerba, L., 3 Nov 2011, In : Modelling and Simulation in Materials Science and Engineering. 19, 8, p. 085008-14

    Research output: Contribution to journal › Article

  106. Interaction of hydrogen with dislocations in tungsten: An atomistic study

    Grigorev, P., Terentyev, D., Bonny, G., Zhurkin, E., Van Oost, G., Noterdaeme, J-M. & Malerba, L., 12 Jun 2015, In : Journal of Nuclear Materials. 465, p. 364-372 8 p.

    Research output: Contribution to journal › Article

  107. Modelling radiation-induced phase changes in binary FeCu and ternary FeCuNi alloys using an artificial intelligence-based atomistic kinetic Monte Carlo approach

    Castin, N., Malerba, L., Bonny, G., Pascuet, I., Hou, M. & Terentyev, D., 15 Sep 2009, In : Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 267, 18, p. 3002-3008

    Research output: Contribution to journal › Article

  108. Simulation of defect evolution in electron-irradiated dilute FeCr alloys

    Ortiz, C. J., Terentyev, D., Olsson, P., Vila, R., Malerba, L. & Bonny, G., 1 Jan 2011, In : Journal of Nuclear Materials. 417, 1-3, p. 1078-1081

    Research output: Contribution to journal › Article

  109. Iron chromium potential to model high-chromium ferritic alloys

    Bonny, G., Pasianot, R., Terentyev, D., Malerba, L. & Castin, N., 8 Feb 2011, In : Philosophical Magazine. 91, 12, p. 1724-1746

    Research output: Contribution to journal › Article

  110. Monte Carlo study of decorated dislocation loops in FeNiMnCu model alloys

    Bonny, G., Terentyev, D., Zhurkin, E., Malerba, L. & Bakaev, A., 2 Jun 2014, In : Journal of Nuclear Materials. 452, p. 486-492

    Research output: Contribution to journal › Article

  111. Early stages of alpha-alpha prime phase separation in Fe-Cr alloys: An atomistic study

    Bonny, G., Terentyev, D., Malerba, L., Van Neck, D. & Lucon, E., 24 Mar 2009, In : Physical Review B. 79, 10, p. 104207-104207

    Research output: Contribution to journal › Article

  112. The effect of Cr concentration on radiation damage in Fe–Cr alloys

    Vörtler, K., Björkas, C., Terentyev, D., Malerba, L., Nordlund, K. & Bonny, G., Oct 2008, In : Journal of Nuclear Materials. 382, 1, p. 24-30

    Research output: Contribution to journal › Article

  113. Vibrational contribution to the thermodynamics of nanosized precipitates: vacancy-copper clusters in bcc-Fe

    Talati, M., Posselt, M., Bonny, G., Al-Motasem, A., Bergner, F. & Castin, N., 4 May 2012, In : Journal of Physics: Condensed Matter. 24, 22, p. 225402-225402

    Research output: Contribution to journal › Article

  114. α-α' phase separation in Fe-Cr alloys and its impact on mechanical properties: An atomistic study

    Bonny, G., Terentyev, D., Malerba, L. & Lucon, E., 27 Oct 2008, Tackling Materials Complexities via Computational Science. Tallahassee, Florida, United States, Vol. 1. p. 293-296

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  115. Interaction of an edge dislocation with Cu–Ni-vacancy clusters in bcc iron

    Terentyev, D., Malerba, L., Bonny, G., AlMotasem, A. T. & Posselt, M., 24 Aug 2011, In : Journal of Nuclear Materials. 419, 1-3, p. 134-139 6 p.

    Research output: Contribution to journal › Article

  116. Interaction of carbon–vacancy complex with minor alloying elements of ferritic steels

    Bakaev, A., Terentyev, D., He, X., Zhurkin, E., Van Neck, D. & Bonny, G., Aug 2014, In : Journal of Nuclear Materials. 451, 1-3, p. 82-87

    Research output: Contribution to journal › Article

  117. High temperature strain hardening behavior in double forged and potassium doped tungsten

    Sheng, H., Van Oost, G., Zhurkin, E., Terentyev, D., Dubinko, V. I., Uytdenhouwen, I., Vleugels, J. & Bonny, G., Jan 2014, In : Journal of Nuclear Materials. 444, 1-3, p. 214-219

    Research output: Contribution to journal › Article

  118. The impact of short range order on Fe-Cr thermodynamics

    Bonny, G., Erhart, P., Caro, A., Pasianot, R., Malerba, L., Serrano de Caro, M. & Lucon, E., 27 Oct 2008, Tackling Materials Complexities via Computational Science. Tallahassee, FL, United States, Vol. 1. p. 379-382

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  119. Fitting interatomic potentials consistent with thermodynamics: Fe, Cu, Ni and their alloys

    Bonny, G., Pasianot, R. C., Malerba, L. & Castin, N., 1 Dec 2009, In : Philosophical Magazine. 89, 34-36, p. 3451-3464

    Research output: Contribution to journal › Article

  120. Metropolis Monte-Carlo simulation of segregation in Fe–Cr alloys

    Zhurkin, E. E., Terentyev, D., Hou, M., Malerba, L., Bonny, G. & Konstantinovic, M., 1 Jan 2011, In : Journal of Nuclear Materials. 417, 1-3, p. 1082-1085

    Research output: Contribution to journal › Article

  121. Interaction of a 1/2 <111 > screw dislocation with Cr precipitates in bcc Fe studied by molecular dynamics

    Terentyev, D., Bonny, G., Domain, C., Pasianot, R. C. & Chaouadi, R., 9 Jun 2010, In : Physical Review B. 81, 21, p. 214106-214106

    Research output: Contribution to journal › Article

  122. On the mobility of vacancy clusters in reduced activation steels: an atomistic study in the Fe-Cr-W model alloy

    Bonny, G., Castin, N., Bullens, J., Bakaev, A., Klaver, P., Terentyev, D. & Jansson, V., 10 Jul 2013, In : Journal of Physics: Condensed Matter. 25, 31, p. 1-12

    Research output: Contribution to journal › Article

  123. Interaction of screw and edge dislocations with chromium precipitates in ferritic iron: An atomistic study

    Bonny, G., Terentyev, D., Malerba, L. & Castin, N., Sep 2011, In : Journal of Nuclear Materials. 416, 1-2, p. 70-74

    Research output: Contribution to journal › Article

  124. Gauge transformations to combine multi-component many-body interatomic potentials

    Bonny, G., Pasianot, R. & Malerba, L., 23 Apr 2010, In : Philosophical Magazine Letters. 90, 8, p. 559-563

    Research output: Contribution to journal › Article

  125. Blunting of a brittle crack at grain boundaries: An atomistic study in BCC Iron

    Terentyev, D., Gao, F. & Bonny, G., Aug 2013, In : Materials Science and Engineering: A. 576, p. 231-238

    Research output: Contribution to journal › Article

  126. Stability of uncommon interstitial clusters in Fe

    Terentyev, D., Malerba, L., Klaver, P., Willaime, F. & Bonny, G., Apr 2007, Proceedings of the Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications. LaGrange Park, IL, United States

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  127. Modelling radiation-induced phase changes in ternary Fe-Cu-Ni alloys using a Monte-Carlo Artificial Intelligence approach

    Castin, N., Bonny, G., Malerba, L. & Terentyev, D., Oct 2008, Proceedings of the Fourth international conference on Multiscale Materials Modeling. Tallahassee, FL, United States

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  128. Trapping of plasma components in neutron irradiated tungsten: atomistic study

    Maceina, T. J. & Bonny, G., 24 Jul 2012, Gent, Belgium: UGent - Universiteit Gent. 50 p.

    Research output: Thesis › Master's thesis

  129. Metropolis Monte Carlo Simulations of Ordering and Clustering in FeCr Alloys

    Zhurkin, E. E., Pereira, R., Castin, N., Malerba, L., Hou, M. & Bonny, G., Mar 2009, Materials for Future Fusion and Fission Technologies. Warrendale, PA, United States, Vol. 1. p. 121-126 (Materials Research Society Symposium Proceedings; no. 1125-R07-37).

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  130. Iron-Copper-Nickel Many-Body Potential Consistent with Thermodynamics

    Bonny, G., Pasianot, R., Castin, N., Terentyev, D., Malerba, L. & Al Mazouzi, A., 12 Jul 2009, Poceedings of the 17th International Conference on Nuclear Engineering. New York, NY, United States

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  131. Understanding radiation damage in FeCr Alloys

    Malerba, L., Al Mazouzi, A., Terentyev, D., Matijasevic, M. & Bonny, G., Jun 2008, Structural Materials for Innovative Nuclear Systems. Paris, France, p. 229-239 (Nuclear Science).

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  132. Dislocation bias factors in fcc copper derived from atomistic calculations

    Chang, Z., Olsson, P., Terentyev, D., Sanderberg, N. & Bonny, G., Oct 2013, In : Journal of Nuclear Materials. 441, 1-3, p. 357-363

    Research output: Contribution to journal › Article

  133. Many-body central force potentials for tungsten

    Bonny, G., Terentyev, D., Bakaev, A., Grigorev, P., Van Neck, D. & Malerba, L., 23 Jun 2014, In : Modelling and Simulation in Materials Science and Engineering. 22, 5, p. 1-22

    Research output: Contribution to journal › Article

  134. Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

    Messina, L., Malerba, L., Olsson, P. & Bonny, G., Jun 2015, In : Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 352, p. 61-66

    Research output: Contribution to journal › Article

  135. Properties of grain boundaries in BCC iron and iron-based alloys

    Terentyev, D., He, X. & Bonny, G., 8 Oct 2010, 0 ed. SCK CEN. 70 p. (SCK•CEN Reports; no. BLG-1072)

    Research output: Report/book › BLG - Open report

  136. Use of computational intelligence for the prediction of vacancy migration energies in atomistic kinetic monte carlo simulations

    Castin, N., Domingos, R., Malerba, L., Terentyev, D. & Bonny, G., Dec 2008, In : International Journal of Computational Intelligence Systems. 1, 4, p. 340-352

    Research output: Contribution to journal › Article

  137. Effect of low-temperature phase transition o nmechanical behavior of Fe-CU alloys

    Minov, B., Terentyev, D., Van Renterghem, W., Osetsky, Y., Konstantinovic, M. & Bonny, G., 12 Mar 2014, In : Materials Science and Engineering: A. 597, p. 46-51

    Research output: Contribution to journal › Article

  138. Mobility and stability of large vacancy and vacancy–copper clusters in iron: An atomistic kinetic Monte Carlo study

    Castin, N., Pascuet, M. I., Malerba, L., Terentyev, D. & Bonny, G., Jun 2012, In : Journal of Nuclear Materials. 429, 1-3, p. 315-324

    Research output: Contribution to journal › Article

  139. Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: an atomic-level study

    Terentyev, D., Malerba, L., Klaver, P., Olsson, P. & Bonny, G., Apr 2007, Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications. LaGrange Park, IL, United States

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

  140. Prediction of radiation induced hardening of reactor pressure vessel steels using artificial neural networks

    Castin, N., Malerba, L., Chaouadi, R., Terentyev, D. & Bonny, G., Jan 2011, In : Journal of Nuclear Materials. 408, 1, p. 30-39

    Research output: Contribution to journal › Article

  141. Interatomic potentials consistent with thermodynamics

    Bonny, G., Pasianot, R. C., Olsson, P., Malerba, L. & Terentyev, D., Jun 2008, Structural Materials for Innovative Nuclear Systems. Paris, France, p. 467-473 (Nuclear Science).

    Research output: Contribution to report/book/conference proceedings › In-proceedings paper

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