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Original Articles

Molecular dynamics investigations of surface damage produced by kiloelectronvolt self-bombardment of solids

, &
Pages 795-820 | Received 25 Nov 1997, Accepted 20 May 1998, Published online: 12 Aug 2009

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Read on this site (12)

A. Lopez-Cazalilla, F. Djurabekova, A. Ilinov, C. Fridlund & K. Nordlund. (2020) Direct observation of ion-induced self-organization and ripple propagation processes in atomistic simulations. Materials Research Letters 8:3, pages 110-116.
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Oksana V. Dudka, Vjacheslav A. Ksenofontov, Alexei A. Mazilov, Tatjana I. Mazilova, Evgenij V. Sadanov & Igor M. Mikhailovskij. (2016) Surface diffusion of tungsten adatoms induced by low-energy bombardment with He atoms. Radiation Effects and Defects in Solids 171:7-8, pages 606-614.
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F. Granberg, D. Terentyev, K. O. E. Henriksson, F. Djurabekova & K. Nordlund. (2014) Interaction of Dislocations with Carbides in BCC Fe Studied by Molecular Dynamics. Fusion Science and Technology 66:1, pages 283-288.
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Panagiotis Grammatikopoulos & Kai Nordlund. (2014) Molecular dynamics simulation of Cr-precipitate demixing in FeCr alloys. Radiation Effects and Defects in Solids 169:7, pages 646-654.
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Dingkun Song, Xiaoguai Li, Jianming Xue, Huiling Duan & Zhaohui Jin. (2014) Irradiation-enhanced twin boundary migration in BCC Fe. Philosophical Magazine Letters 94:6, pages 361-369.
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A. A. Leino, O. H. Pakarinen, F. Djurabekova, K. Nordlund, P. Kluth & M. C. Ridgway. (2014) Swift Heavy Ion Shape Transformation of Au Nanocrystals Mediated by Molten Material Flow and Recrystallization. Materials Research Letters 2:1, pages 37-42.
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D Duffy. (2011) Modelling materials for fusion power. International Materials Reviews 56:5-6, pages 324-340.
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N. Juslin, V. Jansson & K. Nordlund. (2010) Simulation of cascades in tungsten–helium. Philosophical Magazine 90:26, pages 3581-3589.
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M. Rajappan, W. Swiech, M. Ondrejcek & C. P. Flynn. (2007) Surface sink action during irradiation for Pt− on Pt(111) by LEEM. Philosophical Magazine 87:29, pages 4501-4518.
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J. Colin, D. Lesueru & J. Grilhé. (2001) Free-surface deformation of irradiated solids. Philosophical Magazine A 81:4, pages 857-866.
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N. de Diego & D.J. Bacon. (2000) Defect production by near-surface displacement cascades in α-Zr. Philosophical Magazine A 80:6, pages 1393-1406.
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Markus. Morgenstern, Thomas. Michely & George. Comsa. (1999) Collective effects in the adatom production by 4.5 keV rare-gas impacts on Pt(111): A low-temperature scanning tunnelling microscopy analysis. Philosophical Magazine A 79:4, pages 775-794.
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Arttu Lehtinen, Fredric Granberg, Lasse Laurson, Kai Nordlund & Mikko J. Alava. (2016) Multiscale modeling of dislocation-precipitate interactions in Fe: From molecular dynamics to discrete dislocations. Physical Review E 93:1.
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Ossi Lehtinen, Boris Naydenov, Pia Börner, Kristina Melentjevic, Christoph Müller, Liam Paul McGuinness, Sebastien Pezzagna, Jan Meijer, Ute Kaiser & Fedor Jelezko. (2016) Molecular dynamics simulations of shallow nitrogen and silicon implantation into diamond. Physical Review B 93:3.
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Pekko Kuopanportti, Erin Hayward, Chu-Chun Fu, Antti Kuronen & Kai Nordlund. (2016) Interatomic Fe-H potential for irradiation and embrittlement simulations. Computational Materials Science 111, pages 525-531.
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James S. Williams. 2016. Ion Beam Modification of Solids. Ion Beam Modification of Solids 243 285 .
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Wei Ren, Ajai Iyer, Jari Koskinen, Antti Kaskela, Esko I. Kauppinen, Konstantin Avchaciov & Kai Nordlund. (2015) Conditions for forming composite carbon nanotube-diamond like carbon material that retain the good properties of both materials. Journal of Applied Physics 118:19.
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K. O. E. Henriksson & K. Nordlund. (2015) Molecular dynamics simulations of cascades in strained carbide inclusions embedded in α -iron . AIP Advances 5:11.
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C.G. Zhang, Y.G. Li, W.H. Zhou, L. Hu & Z. Zeng. (2015) Anti-radiation mechanisms in nanoporous gold studied via molecular dynamics simulations. Journal of Nuclear Materials 466, pages 328-333.
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Y.N. Osetsky, A.F. Calder & R.E. Stoller. (2015) How do energetic ions damage metallic surfaces?. Current Opinion in Solid State and Materials Science 19:5, pages 277-286.
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K. A. Avchaciov, W. Ren, F. Djurabekova, K. Nordlund, I. Sveklo & A. Maziewski. (2015) Modification of Pt/Co/Pt film properties by ion irradiation. Physical Review B 92:10.
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F. Granberg, D. Terentyev & K. Nordlund. (2015) Molecular dynamics investigation of the interaction of dislocations with carbides in BCC Fe. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 352, pages 77-80.
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Murtaza Bohra, Panagiotis Grammatikopoulos, Rosa E. Diaz, Vidyadhar Singh, Junlei Zhao, Jean-François Bobo, Antti Kuronen, Flyura Djurabekova, Kai Nordlund & Mukhles Sowwan. (2015) Surface Segregation in Chromium-Doped NiCr Alloy Nanoparticles and Its Effect on Their Magnetic Behavior. Chemistry of Materials 27:9, pages 3216-3225.
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X. Yi, A. E. Sand, D. R. Mason, M. A. Kirk, S. G. Roberts, K. Nordlund & S. L. Dudarev. (2015) Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades. EPL (Europhysics Letters) 110:3, pages 36001.
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F. Granberg, D. Terentyev & K. Nordlund. (2015) Interaction of dislocations with carbides in BCC Fe studied by molecular dynamics. Journal of Nuclear Materials 460, pages 23-29.
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J. Byggmästar, F. Granberg, A. Kuronen, K. Nordlund & K. O. E. Henriksson. (2015) Tensile testing of Fe and FeCr nanowires using molecular dynamics simulations. Journal of Applied Physics 117:1.
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A.E. Sand & K. Nordlund. (2015) On the lower energy limit of electronic stopping in simulated collision cascades in Ni, Pd and Pt. Journal of Nuclear Materials 456, pages 99-105.
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A. Lasa, K. Heinola & K. Nordlund. (2014) The effect of beryllium on deuterium implantation in tungsten by atomistic simulations. Nuclear Fusion 54:12, pages 123021.
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A.E. Sand, K. Nordlund & S.L. Dudarev. (2014) Radiation damage production in massive cascades initiated by fusion neutrons in tungsten. Journal of Nuclear Materials 455:1-3, pages 207-211.
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Andrey Ilinov & Antti Kuronen. (2014) Size-dependent elastic properties of oxidized silicon nanorods. Journal of Applied Physics 116:20.
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S. Parviainen & F. Djurabekova. (2014) Molecular dynamics simulations of ion irradiation of a surface under an electric field. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 339, pages 63-66.
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Daniel C. Bufford & Khalid Hattar. (2014) Physical response of gold nanoparticles to single self-ion bombardment. Journal of Materials Research 29:20, pages 2387-2397.
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M. W. Ullah, A. Kuronen, A. Stukowski, F. Djurabekova & K. Nordlund. (2014) Atomistic simulation of Er irradiation induced defects in GaN nanowires. Journal of Applied Physics 116:12.
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A. Lasa, K. Heinola & K. Nordlund. (2014) Atomistic simulations of Be irradiation on W: mixed layer formation and erosion. Nuclear Fusion 54:8, pages 083001.
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M. Song, Y.D. Wu, D. Chen, X.M. Wang, C. Sun, K.Y. Yu, Y. Chen, L. Shao, Y. Yang, K.T. Hartwig & X. Zhang. (2014) Response of equal channel angular extrusion processed ultrafine-grained T91 steel subjected to high temperature heavy ion irradiation. Acta Materialia 74, pages 285-295.
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E. Armon, A. Bekkerman, Y. Cohen, J. Bernstein, B. Tsipinyuk & E. Kolodney. (2014) Direct Experimental Observation of a New Mechanism for Sputtering of Solids by a Large Polyatomic Projectile: Velocity-Correlated Cluster Emission. Physical Review Letters 113:2.
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M.W. Ullah, A. Kuronen, F. Djurabekova, K. Nordlund, A.I. Titov & P.A. Karaseov. (2014) Defect clustering in irradiation of GaN by single and molecular ions. Vacuum 105, pages 88-90.
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F. Granberg, S. Parviainen, F. Djurabekova & K. Nordlund. (2014) Investigation of the thermal stability of Cu nanowires using atomistic simulations. Journal of Applied Physics 115:21.
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Oliver Ochedowski, Orkhan Osmani, Martin Schade, Benedict Kleine Bussmann, Brigitte Ban-d’Etat, Henning Lebius & Marika Schleberger. (2014) Graphitic nanostripes in silicon carbide surfaces created by swift heavy ion irradiation. Nature Communications 5:1.
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K Nordlund, C Björkas, T Ahlgren, A Lasa & A E Sand. (2014) Multiscale modelling of plasma–wall interactions in fusion reactor conditions. Journal of Physics D: Applied Physics 47:22, pages 224018.
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Jussi Polvi & Kai Nordlund. (2014) Comparison of low-energy radiation effects in polyethylene and cellulose by molecular dynamics simulations . Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 326, pages 174-177.
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Wei Ren, Antti Kuronen & Kai Nordlund. (2014) Atomistic simulation of irradiation effects in GaN nanowires. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 326, pages 15-18.
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Darius Pohl, Ulrich Wiesenhütter, Elias Mohn, Ludwig Schultz & Bernd Rellinghaus. (2014) Near-Surface Strain in Icosahedra of Binary Metallic Alloys: Segregational versus Intrinsic Effects. Nano Letters 14:4, pages 1776-1784.
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A Lasa, K Schmid & K Nordlund. (2014) Modelling of W–Be mixed material sputtering under D irradiation. Physica Scripta T159, pages 014059.
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L. Bukonte, T. Ahlgren & K. Heinola. (2014) Modelling of monovacancy diffusion in W over wide temperature range. Journal of Applied Physics 115:12.
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Andrey Ilinov & Antti Kuronen. (2014) Atomistic modeling of bending properties of oxidized silicon nanowires. Journal of Applied Physics 115:10, pages 104305.
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C. Sun, D. Bufford, Y. Chen, M. A. Kirk, Y. Q. Wang, M. Li, H. Wang, S. A. Maloy & X. Zhang. (2014) In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance. Scientific Reports 4:1.
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A. Meinander, S.L. Dudarev & K. Nordlund. (2014) Massively parallel simulations of generation of radiation defects in very high-energy cascades in iron and tungsten: a comparative study. Massively parallel simulations of generation of radiation defects in very high-energy cascades in iron and tungsten: a comparative study.
Scott A. Norris, Juha Samela, Matias Vestberg, Kai Nordlund & Michael J. Aziz. (2014) Crater functions for compound materials: A route to parameter estimation in coupled-PDE models of ion bombardment. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 318, pages 245-252.
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D. Schauries, M. Lang, O. H. Pakarinen, S. Botis, B. Afra, M. D. Rodriguez, F. Djurabekova, K. Nordlund, D. Severin, M. Bender, W. X. Li, C. Trautmann, R. C. Ewing, N. Kirby & P. Kluth. (2013) Temperature dependence of ion track formation in quartz and apatite. Journal of Applied Crystallography 46:6, pages 1558-1563.
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M. W. Ullah, A. Kuronen, K. Nordlund, F. Djurabekova, P. A. Karaseov, K. V. Karabeshkin & A. I. Titov. (2013) Effects of defect clustering on optical properties of GaN by single and molecular ion irradiation. Journal of Applied Physics 114:18, pages 183511.
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A. Meinander, K.O.E. Henriksson, C. Björkas, K. Vörtler & K. Nordlund. (2013) The effect of C concentration on radiation damage in Fe–Cr–C alloys. Journal of Nuclear Materials 442:1-3, pages S782-S785.
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Roman Böttger, Karl-Heinz Heinig, Lothar Bischoff, Bartosz Liedke & Stefan Facsko. (2013) From holes to sponge at irradiated Ge surfaces with increasing ion energy—an effect of defect kinetics?. Applied Physics A 113:1, pages 53-59.
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C. Björkas & K. Nordlund. (2013) Variables affecting simulated Be sputtering yields. Journal of Nuclear Materials 439:1-3, pages 174-179.
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A. S. Pohjonen, S. Parviainen, T. Muranaka & F. Djurabekova. (2013) Dislocation nucleation on a near surface void leading to surface protrusion growth under an external electric field. Journal of Applied Physics 114:3.
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Nicholas Guy Rudawski & Kevin Scott Jones. (2013) Nanostructured germanium prepared via ion beam modification. Journal of Materials Research 28:13, pages 1633-1645.
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C Björkas, D Borodin, A Kirschner, R K Janev, D Nishijima, R Doerner & K Nordlund. (2013) Molecules can be sputtered also from pure metals: sputtering of beryllium hydride by fusion plasma–wall interactions. Plasma Physics and Controlled Fusion 55:7, pages 074004.
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N. Juslin & B.D. Wirth. (2013) Molecular dynamics simulation of the effect of sub-surface helium bubbles on hydrogen retention in tungsten. Journal of Nuclear Materials 438, pages S1221-S1223.
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M.I. Airila, C. Björkas, A. Lasa, A. Meinander, K. Nordlund & K. Vörtler. (2013) Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations. Journal of Nuclear Materials 438, pages S589-S593.
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A. Meinander, C. Björkas & K. Nordlund. (2013) The effect of hydrocarbon chemistry on sputtering in mixed Be–C–H materials. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 303, pages 188-191.
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M. Backman, F. Djurabekova, O.H. Pakarinen, K. Nordlund, Y. Zhang, M. Toulemonde & W.J. Weber. (2013) Atomistic simulations of MeV ion irradiation of silica. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 303, pages 129-132.
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Matilda Backholm, Morten Foss & Kai Nordlund. (2013) Roughness scaling in titanium thin films: A three-dimensional molecular dynamics study of rotational and static glancing angle deposition. Applied Surface Science 268, pages 270-273.
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M. Backman, M. Toulemonde, O.H. Pakarinen, N. Juslin, F. Djurabekova, K. Nordlund, A. Debelle & W.J. Weber. (2013) Molecular dynamics simulations of swift heavy ion induced defect recovery in SiC. Computational Materials Science 67, pages 261-265.
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B Afra, M D Rodriguez, C Trautmann, O H Pakarinen, F Djurabekova, K Nordlund, T Bierschenk, R Giulian, M C Ridgway, G Rizza, N Kirby, M Toulemonde & P Kluth. (2013) SAXS investigations of the morphology of swift heavy ion tracks in α-quartz. Journal of Physics: Condensed Matter 25:4, pages 045006.
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N. Juslin & B.D. Wirth. (2013) Interatomic potentials for simulation of He bubble formation in W. Journal of Nuclear Materials 432:1-3, pages 61-66.
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Sabina Koukourinkova, Zhiming M. Wang, Jiang Wu, Xingliang Xu, Mourad Benamara, Peter Moeck & Gregory J. Salamo. 2013. Nanodroplets. Nanodroplets 99 114 .
M Backman, F Djurabekova, O H Pakarinen, K Nordlund, Y Zhang, M Toulemonde & W J Weber. (2012) Cooperative effect of electronic and nuclear stopping on ion irradiation damage in silica. Journal of Physics D: Applied Physics 45:50, pages 505305.
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Jussi Polvi, Petri Luukkonen, Kai Nordlund, Tommi T. Järvi, Travis W. Kemper & Susan B. Sinnott. (2012) Primary Radiation Defect Production in Polyethylene and Cellulose. The Journal of Physical Chemistry B 116:47, pages 13932-13938.
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Matilda Backholm, Morten Foss & Kai Nordlund. (2012) Roughness of glancing angle deposited titanium thin films: an experimental and computational study. Nanotechnology 23:38, pages 385708.
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Niklas Grönhagen, Tommi T. Järvi, Natalie Miroslawski, Heinz Hövel & Michael Moseler. (2012) Decay Kinetics of Cluster-Beam-Deposited Metal Particles. The Journal of Physical Chemistry C 116:36, pages 19327-19334.
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M. Backman, N. Juslin & K. Nordlund. (2012) Bond order potential for gold. The European Physical Journal B 85:9.
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Wei Ren, Antti Kuronen & Kai Nordlund. (2012) Molecular dynamics of irradiation-induced defect production in GaN nanowires. Physical Review B 86:10.
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E. Marenkov, V. Kurnaev, A. Lasa & K. Nordlund. (2012) On the molecular effect in hydrogen molecular ions penetration through thin films. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 287, pages 46-50.
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M. W. Ullah, A. Kuronen, K. Nordlund, F. Djurabekova, P. A. Karaseov & A. I. Titov. (2012) Atomistic simulation of damage production by atomic and molecular ion irradiation in GaN. Journal of Applied Physics 112:4.
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Aleksi A. Leino, Olli H. Pakarinen, Flyura Djurabekova & Kai Nordlund. (2012) A study on the elongation of embedded Au nanoclusters in SiO2 by swift heavy ion irradiation using MD simulations. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 282, pages 76-80.
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Jani Kotakoski & Jannik C. Meyer. (2012) Mechanical properties of polycrystalline graphene based on a realistic atomistic model. Physical Review B 85:19.
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Ossi Saresoja, Antti Kuronen & Kai Nordlund. (2012) Atomistic Simulation of the Explosion Welding Process. Advanced Engineering Materials 14:4, pages 265-268.
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E. Holmström, J. Kotakoski, L. Lechner, U. Kaiser & K. Nordlund. (2012) Atomic-scale effects behind structural instabilities in Si lamellae during ion beam thinning. AIP Advances 2:1.
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Flyura Djurabekova, Juha Samela, Helga Timko, Kai Nordlund, Sergio Calatroni, Mauro Taborelli & Walter Wuensch. (2012) Crater formation by single ions, cluster ions and ion “showers”. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 272, pages 374-376.
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C. Björkas, K. Nordlund & M. J. Caturla. (2012) Influence of the picosecond defect distribution on damage accumulation in irradiated -Fe . Physical Review B 85:2.
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Bernd Schmidt & Klaus WetzigBernd Schmidt & Klaus Wetzig. 2013. Ion Beams in Materials Processing and Analysis. Ion Beams in Materials Processing and Analysis 117 251 .
P. Kluth, O. H. Pakarinen, F. Djurabekova, R. Giulian, M. C. Ridgway, A. P. Byrne & K. Nordlund. (2011) Nanoscale density fluctuations in swift heavy ion irradiated amorphous SiO2. Journal of Applied Physics 110:12.
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A. Brodyanski, S. Blomeier, H. Gnaser, W. Bock, B. Hillebrands, M. Kopnarski & B. Reuscher. (2011) Interplay of energy dissipation, ion-induced mixing, and crystal structure recovery, and surface effects in ion-irradiated magnetic Fe/Cr/Fe trilayers. Physical Review B 84:21.
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Björn Bieniek, Darius Pohl, Ludwig Schultz & Bernd Rellinghaus. (2011) The effect of oxidation on the surface-near lattice relaxation in FeNi nanoparticles. Journal of Nanoparticle Research 13:11, pages 5935-5946.
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E. Holmström, J. Samela & K. Nordlund. (2011) Atomistic simulations of fracture in silica glass through hypervelocity impact. EPL (Europhysics Letters) 96:1, pages 16005.
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K Vörtler, N Juslin, G Bonny, L Malerba & K Nordlund. (2011) The effect of prolonged irradiation on defect production and ordering in Fe–Cr and Fe–Ni alloys. Journal of Physics: Condensed Matter 23:35, pages 355007.
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S. Hoilijoki, E. Holmström & K. Nordlund. (2011) Enhancement of irradiation-induced defect production in Si nanowires. Journal of Applied Physics 110:4.
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B.L. Darby, B.R. Yates, N.G. Rudawski, K.S. Jones, A. Kontos & R.G. Elliman. (2011) Insights for void formation in ion-implanted Ge. Thin Solid Films 519:18, pages 5962-5965.
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Juha Samela, Scott A. Norris, Kai Nordlund & Michael J. Aziz. (2011) Optimization of large amorphous silicon and silica structures for molecular dynamics simulations of energetic impacts. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 269:14, pages 1568-1571.
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M. Mehine, C. Björkas, K. Vörtler, K. Nordlund & M.I. Airila. (2011) Modelling the erosion of beryllium carbide surfaces. Journal of Nuclear Materials 414:1, pages 1-7.
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K. Nordlund, C. Björkas, K. Vörtler, A. Meinander, A. Lasa, M. Mehine & A.V. Krasheninnikov. (2011) Mechanism of swift chemical sputtering: Comparison of Be/C/W dimer bond breaking. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 269:11, pages 1257-1261.
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O. Lehtinen, E. Dumur, J. Kotakoski, A.V. Krasheninnikov, K. Nordlund & J. Keinonen. (2011) Production of defects in hexagonal boron nitride monolayer under ion irradiation. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 269:11, pages 1327-1331.
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S. Parviainen, F. Djurabekova, H. Timko & K. Nordlund. (2011) Electronic processes in molecular dynamics simulations of nanoscale metal tips under electric fields. Computational Materials Science 50:7, pages 2075-2079.
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O Lehtinen, J Kotakoski, A V Krasheninnikov & J Keinonen. (2011) Cutting and controlled modification of graphene with ion beams. Nanotechnology 22:17, pages 175306.
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Scott A. Norris, Juha Samela, Laura Bukonte, Marie Backman, Flyura Djurabekova, Kai Nordlund, Charbel S. Madi, Michael P. Brenner & Michael J. Aziz. (2011) Molecular dynamics of single-particle impacts predicts phase diagrams for large scale pattern formation. Nature Communications 2:1.
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K Vörtler, C Björkas & K Nordlund. (2011) The effect of plasma impurities on the sputtering of tungsten carbide. Journal of Physics: Condensed Matter 23:8, pages 085002.
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F. Djurabekova, S. Parviainen, A. Pohjonen & K. Nordlund. (2011) Atomistic modeling of metal surfaces under electric fields: Direct coupling of electric fields to a molecular dynamics algorithm. Physical Review E 83:2.
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Ari Harjunmaa, Kai Nordlund & Alexander Stukowski. (2011) Structure of Si/Ge nanoclusters: Kinetics and thermodynamics. Computational Materials Science 50:4, pages 1504-1508.
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A Redinger, S Standop, Y Rosandi, H M Urbassek & T Michely. (2011) Making channeling visible: keV noble gas ion trails on Pt(111). New Journal of Physics 13:1, pages 013002.
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K. Nordlund, S. Hoilijoki & E. Holmstr¨om. (2011) Ion irradiation effects in silicon nanowires. MRS Proceedings 1354.
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V. N. Popok, J. Samela, K. Nordlund & E. E. B. Campbell. (2010) Stopping of energetic argon cluster ions in graphite: Role of cluster momentum and charge. Physical Review B 82:20.
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