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Philosophical Magazine A Volume 71, 1995 - Issue 1
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Original Articles

Molecular dynamics study of displacement cascades in Ni3Al I. General features and defect production efficiency

F. Gao Department of Materials Science and Engineering, The University, PO Box 147, Liverpool, L69 3BX, England
&
D. J. Bacon Department of Materials Science and Engineering, The University, PO Box 147, Liverpool, L69 3BX, England
Pages 43-64 | Received 19 May 1994, Accepted 20 May 1994, Published online: 27 Sep 2006

Citations (69)

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Read on this site (12)

F. Gao, D. J. Bacon, W. S. Lai & R. J. Kurtz. (2006) Low-energy sputtering events at free surfaces near anti-phase and grain boundaries in Ni3Al. Philosophical Magazine 86:27, pages 4243-4258.
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W. S. Lai , Y. N. Osetsky & D. J. Bacon . (2005) Point-defect properties of, and sputtering events in, the {001} surfaces of Ni3Al. II. Sputtering events at and near surfaces. Philosophical Magazine 85:16, pages 1687-1700.
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F. Gao & W. J. Weber. (2005) Atomic-level computer simulation of SiC: defect accumulation, mechanical properties and defect recovery. Philosophical Magazine 85:4-7, pages 509-518.
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Fei Gao, Ram Devanathan & William J. Weber. (2001) Si Displacement Cascades Revealed by Atomic-Scale Simulations in 3C-SiC. Fusion Technology 39:2P2, pages 574-578.
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S.J. Wooding & D.J. Bacon. (1997) A molecular dynamics study of displacement cascades in α-zirconium. Philosophical Magazine A 76:5, pages 1033-1051.
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F. Gao & D.J. Bacon. (1997) The influence of a surface on defect production by 10 keV displacement cascades in Ni3Al. Radiation Effects and Defects in Solids 141:1-4, pages 395-407.
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N.V. Doan & R. Vascon. (1997) Simulation of displacement cascades in Ni–Al ordered alloys. Radiation Effects and Defects in Solids 141:1-4, pages 363-373.
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D.J. Bacon, A.F. Calder & F. Gao. (1997) Computer simulation of displacement cascade effects in metals. Radiation Effects and Defects in Solids 141:1-4, pages 283-310.
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S. Müller, M.L. Jenkins, C. Abromeit & H. Wollenberger. (1997) The influence of the surface on the production and development of displacement cascades in Ni3Al and Cu3Au. Philosophical Magazine A 75:6, pages 1625-1640.
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V.G. Kapinos & D.J. Bacon. (1995) A model of disordered zone formation in Cu3Au under cascade-producing irradiation. Philosophical Magazine A 72:5, pages 1413-1420.
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S.J. Wooding, D.J. Bacon & W.J. Phythian. (1995) A computer simulation study of displacement cascades in α-titanium. Philosophical Magazine A 72:5, pages 1261-1279.
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F. Gao & D.J. Bacon. (1995) Molecular dynamics study of displacement cascades in Ni3Al II. Kinetics, disordering and atomic mixing. Philosophical Magazine A 71:1, pages 65-84.
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Articles from other publishers (57)

He Zhang, Zhong-Wen Yao & Marquis A. Kirk. (2020) Effects of helium on irradiation-induced phase instability in a NiCrFeTiNbAl alloy. Tungsten 3:1, pages 58-64.
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Roman Voskoboinikov. (2019) A contribution of L10 ordered crystal structure to the high radiation tolerance of γ-TiAl intermetallics. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 460, pages 92-97.
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Roman Voskoboinikov. (2019) MD simulations of primary damage formation in L12 Ni3Al intermetallics. Journal of Nuclear Materials 522, pages 123-135.
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Laurent Karim Béland, Yuri N. Osetsky & Roger E. Stoller. (2016) The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades. Acta Materialia 116, pages 136-142.
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Wahyu Setyawan, Aaron P Selby, Niklas Juslin, Roger E Stoller, Brian D Wirth & Richard J Kurtz. (2015) Cascade morphology transition in bcc metals. Journal of Physics: Condensed Matter 27:22, pages 225402.
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Tongsik Lee, Alfredo Caro & Michael J. Demkowicz. (2015) Atomistic modeling of radiation-induced disordering and dissolution at a Ni/Ni 3 Al interface . Journal of Materials Research 30:9, pages 1456-1463.
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Jia Ye, Youhong Li, Robert Averback, Jian-Min Zuo & Pascal Bellon. (2010) Atomistic modeling of nanoscale patterning of L12 order induced by ion irradiation. Journal of Applied Physics 108:5.
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Ram Devanathan, Laurent Van Brutzel, Alain Chartier, Christine Guéneau, Ann E. Mattsson, Veena Tikare, Timothy Bartel, Theodore Besmann, Marius Stan & Paul Van Uffelen. (2010) Modeling and simulation of nuclear fuel materials. Energy & Environmental Science 3:10, pages 1406.
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L. Van Brutzel, E. Vincent-Aublant & J.-M. Delaye. (2009) Large molecular dynamics simulations of collision cascades in single-crystal, bi-crystal, and poly-crystal UO2. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 267:18, pages 3013-3016.
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Xiao-Chun Li, F. Gao & Guang-Hong Lu. (2009) Molecular dynamics simulation of interaction of H with vacancy in W. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 267:18, pages 3197-3199.
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Zhouwen Rong, Fei Gao, William J. Weber & Gerhard Hobler. (2007) Monte Carlo simulations of defect recovery within a 10 keV collision cascade in 3C–SiC. Journal of Applied Physics 102:10.
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Jinsong Duan. (2007) Atomistic simulations of diffusion mechanisms in off-stoichiometric Al-rich Ni 3 Al . Journal of Physics: Condensed Matter 19:8, pages 086217.
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L. Van Brutzel, M. Rarivomanantsoa & D. Ghaleb. (2006) Displacement cascade initiated with the realistic energy of the recoil nucleus in UO2 matrix by molecular dynamics simulation. Journal of Nuclear Materials 354:1-3, pages 28-35.
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Jinsong Duan. (2006) Atomistic simulations of diffusion mechanisms in stoichiometric Ni 3 Al . Journal of Physics: Condensed Matter 18:4, pages 1381-1394.
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Jia Ye, Pascal Bellon & Raúl A. Enrique. (2006) Nanoscale patterning of composition and chemical order induced by displacement cascades in irradiated alloys. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 242:1-2, pages 265-269.
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William J. Weber, Fei Gao, Ram Devanathan, Weilin Jiang & Y. Zhang. (2005) Defects and Ion-Solid Interactions in Silicon Carbide. Materials Science Forum 475-479, pages 1345-1350.
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Jia Ye & Pascal Bellon. (2004) Nanoscale patterning of chemical order induced by displacement cascades in irradiated alloys. I. A kinetic Monte Carlo study. Physical Review B 70:9.
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W.J Weber, F Gao, R Devanathan, W Jiang & C.M Wang. (2004) Ion-beam induced defects and nanoscale amorphous clusters in silicon carbide. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 216, pages 25-35.
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D.J Bacon & Yu.N Osetsky. (2004) Multiscale modelling of radiation damage in metals: from defect generation to material properties. Materials Science and Engineering: A 365:1-2, pages 46-56.
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L René Corrales, William J Weber, Alain Chartier, Constantin Meis & Jean-Paul Crocombette. (2003) Comment on  Large swelling and percolation in irradiated zircon . Journal of Physics: Condensed Matter 15:37, pages 6447-6456.
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W.J. Weber, F. Gao, W. Jiang & Y. Zhang. (2003) Fundamental nature of ion–solid interactions in SiC. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 206, pages 1-6.
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F. Gao & W.J. Weber. (2003) Atomic simulation of ion–solid interaction in ceramics. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 207:1, pages 10-20.
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L.René Corrales & William J. Weber. (2003) State of theory and computer simulations of radiation effects in ceramics. Current Opinion in Solid State and Materials Science 7:1, pages 35-40.
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William J. Weber, Fei Gao, Ram Devanathan, Weilin Jiang & Yanwen Zhang. (2011) Experimental and Computational Studies of Ion-Solid Interactions in Silicon Carbide. MRS Proceedings 792.
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R.H Jones, L Giancarli, A Hasegawa, Y Katoh, A Kohyama, B Riccardi, L.L Snead & W.J Weber. (2002) Promise and challenges of SiCf/SiC composites for fusion energy applications. Journal of Nuclear Materials 307-311, pages 1057-1072.
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F. Gao, W.J. Weber & R. Devanathan. (2002) Defect production, multiple ion–solid interactions and amorphization in SiC. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 191:1-4, pages 487-496.
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W.J. Weber, W. Jiang, F. Gao & R. Devanathan. (2002) Ion–solid interactions and defects in silicon carbide. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 190:1-4, pages 261-265.
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R. Devanathan, W. J. Weber & F. Gao. (2001) Atomic scale simulation of defect production in irradiated 3C-SiC. Journal of Applied Physics 90:5, pages 2303-2309.
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F Gao, W.J Weber & R Devanathan. (2001) Atomic-scale simulation of displacement cascades and amorphization in β-SiC. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 180:1-4, pages 176-186.
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G. Schmitz, J. C. Ewert, F. Harbsmeier, M. Uhrmacher & F. Haider. (2001) Phase stability of decomposed Ni-Al alloys under ion irradiation. Physical Review B 63:22.
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F. Gao, W. J. Weber & W. Jiang. (2001) Primary damage states produced by Si and Au recoils in SiC: A molecular dynamics and experimental investigation. Physical Review B 63:21.
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F. Gao & W. J. Weber. (2001) Computer simulation of disordering and amorphization by Si and Au recoils in 3C–SiC. Journal of Applied Physics 89:8, pages 4275-4281.
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C.S. Becquart, C. Domain, J.C. van Duysen & J.M. Raulot. (2001) The role of Cu in displacement cascades examined by molecular dynamics. Journal of Nuclear Materials 294:3, pages 274-287.
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F. Gao & W. J. Weber. (2000) Atomic-scale simulation of 50 keV Si displacement cascades in β-SiC. Physical Review B 63:5.
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N.V Doan. (2000) Interstitial cluster motion in displacement cascades. Journal of Nuclear Materials 283-287, pages 763-767.
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C.S Becquart, C Domain, A Legris & J.C Van Duysen. (2000) Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades. Journal of Nuclear Materials 280:1, pages 73-85.
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R. Devanathan, F. Gao & W. J. Weber. (2011) Computer Simulation of Energy Dependence of Primary Damage States in SiC. MRS Proceedings 650.
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C. Abromeit, H. Wollenberger, S. Matsumura & C. Kinoshita. (2000) Stability of ordered phases under irradiation. Journal of Nuclear Materials 276:1-3, pages 104-113.
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D.J. Bacon, F. Gao & Yu.N. Osetsky. (2000) The primary damage state in fcc, bcc and hcp metals as seen in molecular dynamics simulations. Journal of Nuclear Materials 276:1-3, pages 1-12.
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Wang Tianmin, Wang Yuexia, Wang Baoyi & Li Bo. (1999) Simulation of threshold displacements in NiAl. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 153:1-4, pages 99-104.
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D.J. Bacon, F. Gao & Yu.N. Osetsky. (1999) Computer simulation of displacement cascades and the defects they generate in metals. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 153:1-4, pages 87-98.
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S. Müller, C. Abromeit, S. Matsumura, N. Wanderka & H. Wollenberger. (1999) Disordering kinetics of Ni3Al under ion irradiation. Journal of Nuclear Materials 271-272, pages 241-245.
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S.J Wooding, L.M Howe, F Gao, A.F Calder & D.J Bacon. (1998) A molecular dynamics study of high-energy displacement cascades in α-zirconium. Journal of Nuclear Materials 254:2-3, pages 191-204.
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F. Gao & D. J. Bacon. (2011) Md Investigation of Thermal Spike Effects on Defect Production and Disordering by Displacement Cascades in Nl 3 AL . MRS Proceedings 540.
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D.J. Bacon, F. Gao, A.V. Barashev & Yu.N. Osetsky. (2011) Computer Simulation of Defect Production and Behaviour in Displacement Cascades in Metals. MRS Proceedings 540.
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M. L. Jenkins, P. Mavani, S. Müller & C. Abromeit. (2011) Evidence for Thermal Spike Effects in Ion-Irradiated Ni 3 Al . MRS Proceedings 540.
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D.J. Bacon, F. Gao, A.V. Barashev & Yu.N. Osetsky. (2011) Computer Simulation of Defect Production and Behaviour in Displacement Cascades in Metals. MRS Proceedings 538.
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R.S. AVERBACK & T. DIAZ DE LA RUBIA. 1998. Solid State Physics - Advances in Research and Applications. Solid State Physics - Advances in Research and Applications 281 402 .
D.J. Bacon, A.F. Calder & F. Gao. (1997) Defect production due to displacement cascades in metals as revealed by computer simulation. Journal of Nuclear Materials 251, pages 1-12.
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K. Nordlund & R. S. Averback. (1997) Point defect movement and annealing in collision cascades. Physical Review B 56:5, pages 2421-2431.
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A. Almazouzi, M. Alurralde, M. Spaczer & M. Victoria. (2011) Disordering in the Ni-Al system under low dose ion-irradiation: a computer simulation study. MRS Proceedings 481.
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C. Abromeit & V. Naundorf. (1996) Re-ordering of disordered Ni3Al at low temperatures: contribution of mobile interstitials. Intermetallics 4:6, pages 441-446.
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H. F. Deng & D. J. Bacon. (1996) Molecular-dynamics study of displacement cascades in Cu-Au solid solutions. Physical Review B 53:17, pages 11376-11387.
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S. Müller, M. L. Jenkins, C. Abromeit & H. Wollenberger. (2011) Effects of the Surface on Displacement Cascades Produced by Heavy-Ion Irradiation of Ni 3 Al and Cu 3 Au . MRS Proceedings 439.
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D. J. Bacon. 1996. Computer Simulation in Materials Science. Computer Simulation in Materials Science 189 210 .
D.J. Bacon, A.F. Calder, F. Gao, V.G. Kapinos & S.J. Wooding. (1995) Computer simulation of defect production by displacement cascades in metals. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 102:1-4, pages 37-46.
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K. Morishita & T. Diaz De La Rubia. (2011) A Molecular Dynamics Simulation Study of Defect Production in Vanadium. MRS Proceedings 396.
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