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Philosophical Magazine Volume 83, 2003 - Issue 31-34: Multiscale Modelling of Nano- and Micro-mechanics of Materials
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Original Articles

Coherent motion of interstitial defects in a crystalline material

S. L. Dudarev† EURATOM–UK Atomic Energy Authority Fusion Association, Culham Science Centre, Oxfordshire OX14 3DB, UKView further author information
Pages 3577-3597 | Received 22 Jul 2002, Accepted 24 Jan 2003, Published online: 12 May 2010

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Asmat Ullah, Qingyu Wang & Yushou Song. (2023) Dynamic and kinetic properties of point defects in γ U-10Mo: a molecular dynamics study. Radiation Effects and Defects in Solids 178:3-4, pages 208-218.
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Y. Satoh, H. Abe & T. Matsunaga. (2013) Modeling of fluctuating interaction energy between a gliding interstitial cluster and solute atoms in random binary alloys. Philosophical Magazine 93:14, pages 1652-1676.
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Mark R. Gilbert & Sergei L. Dudarev. (2010) Ab initio multi-string Frenkel–Kontorova model for a b = a/2[111] screw dislocation in bcc iron. Philosophical Magazine 90:7-8, pages 1035-1061.
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S. Chiesa, M.R. Gilbert, S.L. Dudarev, P.M. Derlet & H. Van Swygenhoven. (2009) The non-degenerate core structure of a ½⟨111⟩ screw dislocation in bcc transition metals modelled using Finnis–Sinclair potentials: The necessary and sufficient conditions. Philosophical Magazine 89:34-36, pages 3235-3243.
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D. Terentyev, L. Malerba & A. V. Barashev. (2008) Modelling the diffusion of self-interstitial atom clusters in Fe–Cr alloys. Philosophical Magazine 88:1, pages 21-29.
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Z. Zhou, M. L. Jenkins, S. L. Dudarev, A. P. Sutton & M. A. Kirk. (2006) Simulations of weak-beam diffraction contrast images of dislocation loops by the many-beam Howie–Basinski equations. Philosophical Magazine 86:29-31, pages 4851-4881.
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Articles from other publishers (65)

Yalin Li & Wenjiang Qiang. (2023) Defect properties of a body-centered cubic equiatomic TiVZrTa high-entropy alloy from atomistic simulations. Journal of Physics: Condensed Matter 35:34, pages 345701.
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Yalin Li, Dongbo Yang & Wenjiang Qiang. (2023) Atomistic simulations of enhanced irradiation resistance and defect properties in body-centered cubic W-V-Cr and W-Ta-V alloys. Journal of Alloys and Compounds 948, pages 169744.
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Utkarsh Bhardwaj, Andrea E. Sand & Manoj Warrier. (2022) Stability of  dislocations formed in W collision cascades . Journal of Nuclear Materials 569, pages 153938.
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Max Boleininger, Sergei L. Dudarev, Daniel R. Mason & Enrique Martínez. (2022) Volume of a dislocation network. Physical Review Materials 6:6.
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Jie Gao, Ermile Gaganidze & Jarir Aktaa. (2022) Parameterization on formation free energy of dislocation loops up to 1100 K in bcc iron. Journal of Nuclear Materials 559, pages 153409.
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S. A. Starikov, A. R. Kuznetsov & V. V. Sagaradze. (2021) Crowdion in Deformed FCC Metal. Atomistic Modeling. Physics of Metals and Metallography 122:12, pages 1207-1212.
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Utkarsh Bhardwaj, Andrea E. Sand & Manoj Warrier. (2021) Graph theory based approach to characterize self interstitial defect morphology. Computational Materials Science 195, pages 110474.
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Marjolein de Jager, Joris de Jong & Laura Filion. (2021) Defects in crystals of soft colloidal particles. Soft Matter 17:23, pages 5718-5729.
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Rinske M. Alkemade, Marjolein de Jager, Berend van der Meer, Frank Smallenburg & Laura Filion. (2021) Point defects in crystals of charged colloids. The Journal of Chemical Physics 154:16.
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I.A. Shepelev, D.V. Bachurin, E.A. Korznikova, A.M. Bayazitov & S.V. Dmitriev. (2021) Mechanism of remote vacancy emergence by a supersonic crowdion cluster in a 2D Morse lattice. Chinese Journal of Physics 70, pages 355-362.
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J. Wang, Q. Hou & B.L. Zhang. (2021) Migration behavior of self-interstitial defects in tungsten and iron. Solid State Communications 325, pages 114158.
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R T Murzaev, E A Korznikova & S V Dmitriev. (2020) Dynamics of supersonic N-crowdions in bcc tungsten. IOP Conference Series: Materials Science and Engineering 1008:1, pages 012067.
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I A Shepelev, S V Dmitriev, A Yu Morkina, S Yu Fomin & E A Korznikova. (2020) Mass transfer in platinum by crowdion clusters initiated by the impact of a Pt 2 molecule . IOP Conference Series: Materials Science and Engineering 1008:1, pages 012036.
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E A Korznikova, I A Shepelev, E L Vardanyan, K N Ramazanov & P V Zakharov. (2020) Regimes of mass transfer in a 2D crystal in nonequilibrium states. IOP Conference Series: Materials Science and Engineering 1008:1, pages 012034.
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I.A. Shepelev, S.V. Dmitriev, A.A. Kudreyko, M.G. Velarde & E.A. Korznikova. (2020) Supersonic voidions in 2D Morse lattice. Chaos, Solitons & Fractals 140, pages 110217.
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Igor A. Shepelev, Dmitry V. Bachurin, Elena A. Korznikova & Sergey V. Dmitriev. (2020) Energy exchange in M-crowdion clusters in 2D Morse lattice. The European Physical Journal B 93:9.
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Max Boleininger, Thomas D. Swinburne, Laurent Dupuy & Sergei L. Dudarev. (2020) Ultraviolet catastrophe of a fluctuating curved dislocation line. Physical Review Research 2:3.
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Kazuto Arakawa, Mihai-Cosmin Marinica, Steven Fitzgerald, Laurent Proville, Duc Nguyen-Manh, Sergei L. Dudarev, Pui-Wai Ma, Thomas D. Swinburne, Alexandra M. Goryaeva, Tetsuya Yamada, Takafumi Amino, Shigeo Arai, Yuta Yamamoto, Kimitaka Higuchi, Nobuo Tanaka, Hidehiro Yasuda, Tetsuya Yasuda & Hirotaro Mori. (2020) Quantum de-trapping and transport of heavy defects in tungsten. Nature Materials 19:5, pages 508-511.
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I.A. Shepelev, E.A. Korznikova, D.V. Bachurin, A.S. Semenov, A.P. Chetverikov & S.V. Dmitriev. (2020) Supersonic crowdion clusters in 2D Morse lattice. Physics Letters A 384:1, pages 126032.
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Max Boleininger & Sergei L. Dudarev. (2019) Continuum model for the core of a straight mixed dislocation. Physical Review Materials 3:9.
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D R Mason, A E Sand & S L Dudarev. (2019) Atomistic-object kinetic Monte Carlo simulations of irradiation damage in tungsten. Modelling and Simulation in Materials Science and Engineering 27:5, pages 055003.
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Pui-Wai Ma & S. L. Dudarev. (2019) Effect of stress on vacancy formation and migration in body-centered-cubic metals. Physical Review Materials 3:6.
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Rita I. Babicheva, Iman Evazzade, Elena A. Korznikova, Igor A. Shepelev, Kun Zhou & Sergey V. Dmitriev. (2019) Low-energy channel for mass transfer in Pt crystal initiated by molecule impact. Computational Materials Science 163, pages 248-255.
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Elena Korznikova, Ilsiya Sunagatova, Ayrat Bayazitov, Alexander Semenov & Sergey Dmitirev. (2019) Effect of interatomic potentials on mass transfer by supersonic 2‑crowdions. Letters on Materials 9:4, pages 386-390.
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E. A. Korznikova, I. A. Shepelev, A. P. Chetverikov, S. V. Dmitriev, S. Yu. Fomin & Kun Zhou. (2019) Dynamics and Stability of Subsonic Crowdion Clusters in 2D Morse Crystal. Journal of Experimental and Theoretical Physics 127:6, pages 1009-1015.
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B. van der Meer, R. van Damme, M. Dijkstra, F. Smallenburg & L. Filion. (2018) Revealing a Vacancy Analog of the Crowdion Interstitial in Simple Cubic Crystals. Physical Review Letters 121:25.
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Wenwang Wu & R. Schäublin. (2018) Simulations of weak-beam diffraction contrast images of dislocation loops by the many-beam Schaeublin–Stadelmann equations. Journal of Materials Science 53:22, pages 15694-15702.
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S. P. Fitzgerald. (2019) Structure and dynamics of crowdion defects in bcc metals. Journal of Micromechanics and Molecular Physics 03:03n04, pages 1840003.
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Max Boleininger, Thomas D. Swinburne & Sergei L. Dudarev. (2018) Atomistic-to-continuum description of edge dislocation core: Unification of the Peierls-Nabarro model with linear elasticity. Physical Review Materials 2:8.
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A. Moradi Marjaneh, Danial Saadatmand, I. Evazzade, R. I. Babicheva, E. G. Soboleva, N. Srikanth, Kun Zhou, E. A. Korznikova & S. V. Dmitriev. (2018) Mass transfer in the Frenkel-Kontorova chain initiated by molecule impact. Physical Review E 98:2.
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S. V. Dmitriev, E. A. Korznikova & A. P. Chetverikov. (2018) Supersonic N-Crowdions in a Two-Dimensional Morse Crystal. Journal of Experimental and Theoretical Physics 126:3, pages 347-352.
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S. L. Dudarev & Pui-Wai Ma. (2018) Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals. Physical Review Materials 2:3.
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T.I. Mazilova, E.V. Sadanov, V.N. Voyevodin, V.A. Ksenofontov & I.M. Mikhailovskij. (2018) Impact-induced concerted mass transport on W surfaces by a voidion mechanism. Surface Science 669, pages 10-15.
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Sergey V. Dmitriev, Nikolay N. Medvedev, Alexander P. Chetverikov, Kun Zhou & Manuel G. Velarde. (2017) Highly Enhanced Transport by Supersonic N -Crowdions . physica status solidi (RRL) - Rapid Research Letters 11:12, pages 1700298.
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Wahyu Setyawan, Giridhar Nandipati & Richard J. Kurtz. (2017) Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W. Journal of Nuclear Materials 484, pages 30-41.
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S. P. Fitzgerald. (2016) Kink pair production and dislocation motion. Scientific Reports 6:1.
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R. Alexander, M.-C. Marinica, L. Proville, F. Willaime, K. Arakawa, M. R. Gilbert & S. L. Dudarev. (2016) Ab initio scaling laws for the formation energy of nanosized interstitial defect clusters in iron, tungsten, and vanadium . Physical Review B 94:2.
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A. Hammad, T. D. Swinburne, H. Hasan, S. Del Rosso, L. Iannucci & A. P. Sutton. (2015) Theory of the deformation of aligned polyethylene. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 471:2180, pages 20150171.
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D. Kato, H. Iwakiri, Y. Watanabe, K. Morishita & T. Muroga. (2015) Super-saturated hydrogen effects on radiation damages in tungsten under the high-flux divertor plasma irradiation. Nuclear Fusion 55:8, pages 083019.
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S.P. Fitzgerald. (2015) Crowdion–solute interactions: Analytical modelling and stochastic simulation. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 352, pages 14-17.
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Wang Huai Zhou, Chuan Guo Zhang, Yong Gang Li & Zhi Zeng. (2014) Creeping Motion of Self Interstitial Atom Clusters in Tungsten. Scientific Reports 4:1.
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P. Mukherjee, Xiujuan Jiang, Y. Q. Wu, M. J. Kramer & J. E. Shield. (2013) Nucleation-Suppressed Phase Stabilization in Fe–Au Nanoparticles. The Journal of Physical Chemistry C 117:45, pages 24071-24078.
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S.L. Dudarev. (2013) Density Functional Theory Models for Radiation Damage. Annual Review of Materials Research 43:1, pages 35-61.
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P. Mukherjee, Lin Zhou, M. J. Kramer & J. E. Shield. (2013) Formation of non-equilibrium Fe-Au solid solutions in nanoclusters. Applied Physics Letters 102:24.
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Lisa Ventelon, F. Willaime, Chu-Chun Fu, M. Heran & I. Ginoux. (2012) Ab initio investigation of radiation defects in tungsten: Structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals. Journal of Nuclear Materials 425:1-3, pages 16-21.
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P. M. Derlet, M. R. Gilbert & S. L. Dudarev. (2011) Simulating dislocation loop internal dynamics and collective diffusion using stochastic differential equations. Physical Review B 84:13.
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P A Gordon, T Neeraj, Y Li & J Li. (2010) Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation. Modelling and Simulation in Materials Science and Engineering 18:8, pages 085008.
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S. L. Dudarev, M. R. Gilbert, K. Arakawa, H. Mori, Z. Yao, M. L. Jenkins & P. M. Derlet. (2010) Langevin model for real-time Brownian dynamics of interacting nanodefects in irradiated metals. Physical Review B 81:22.
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T. Ahlgren, K. Heinola, N. Juslin & A. Kuronen. (2010) Bond-order potential for point and extended defect simulations in tungsten. Journal of Applied Physics 107:3.
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S. P. Fitzgerald & D. Nguyen-Manh. (2008) Peierls Potential for Crowdions in the bcc Transition Metals. Physical Review Letters 101:11.
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Sergei L. Dudarev. (2008) The non-Arrhenius migration of interstitial defects in bcc transition metals. Comptes Rendus Physique 9:3-4, pages 409-417.
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Duc Nguyen-Manh, Matous Mrovec & Steven P. Fitzgerald. (2008) Dislocation Driven Problems in Atomistic Modelling of Materials. MATERIALS TRANSACTIONS 49:11, pages 2497-2506.
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Yoshitaka MatsukawaSteven J. Zinkle. (2007) One-Dimensional Fast Migration of Vacancy Clusters in Metals. Science 318:5852, pages 959-962.
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P. M. Derlet, D. Nguyen-Manh & S. L. Dudarev. (2007) Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals. Physical Review B 76:5.
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Kazuhito Ohsawa & Eiichi Kuramoto. (2007) Thermally activated transport of a dislocation loop within an elastic model. Journal of Nuclear Materials 367-370, pages 327-331.
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D. Nguyen-Manh, S.L. Dudarev & A.P. Horsfield. (2007) Systematic group-specific trends for point defects in bcc transition metals: An ab initio study. Journal of Nuclear Materials 367-370, pages 257-262.
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S.L. Dudarev, P.M. Derlet & C.H. Woo. (2007) Driven mobility of self-interstitial defects under electron irradiation. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 256:1, pages 253-259.
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S. Haq, A. B. Movchan & G. J. Rodin. (2006) Analysis of Lattices with Non-linear Interphases. Acta Mechanica Sinica 22:4, pages 323-330.
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D. Nguyen-Manh & S.L. Dudarev. (2006) Multi-scale modelling of defect behavior in bcc transition metals and iron alloys for future fusion power plants. Materials Science and Engineering: A 423:1-2, pages 74-78.
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D. Nguyen-Manh & S.L. Dudarev. (2006) Multi-scale modelling of materials for fusion power plants. Computational Materials Science 36:1-2, pages 112-116.
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K. Arakawa & Hirotaro Mori. (2006) Process of the One-Dimensional Motion of Small Interstitial-Type Dislocation Loops in Iron. Materials Science Forum 512, pages 103-106.
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D. Nguyen-Manh, A. P. Horsfield & S. L. Dudarev. (2006) Self-interstitial atom defects in bcc transition metals: Group-specific trends. Physical Review B 73:2.
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S.L. Dudarev, A.A. Semenov & C.H. Woo. (2005) Segregated void swelling in a spatially heterogeneous material. Fusion Engineering and Design 75-79, pages 1031-1035.
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Toby S. HudsonSergei L. DudarevAdrian P. Sutton. (2004) Confinement of interstitial cluster diffusion by oversized solute atoms. Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences 460:2049, pages 2457-2475.
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M. Samaras, P. M. Derlet, H. Van Swygenhoven & M. Victoria. (2003) Movement of interstitial clusters in stress gradients of grain boundaries. Physical Review B 68:22.
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