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Philosophical Magazine A Volume 76, 1997 - Issue 5
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Original Articles

A molecular dynamics study of displacement cascades in α-zirconium

S. J. Wooding Department of Materials Science and Engineering, The University of Liverpool, Liverpool, L69 3BX, England; Unilever Research, Colworth House, Sharnbrook, Bedfordshire, MK44 1LQ, England
&
D. J. Bacon Department of Materials Science and Engineering, The University of Liverpool, Liverpool, L69 3BX, England
Pages 1033-1051 | Received 03 Oct 1996, Accepted 11 Mar 1997, Published online: 13 Sep 2006

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A.K. Revelly, N. Srinivasan, A.S. Panwar, K.V. Mani Krishna, R. Tewari, D. Srivastava, G.K. Dey & I. Samajdar. (2014) Orientation sensitivity of focused ion beam damage in pure zirconium: direct experimental observations and molecular dynamics simulations. Philosophical Magazine 94:14, pages 1601-1621.
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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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Articles from other publishers (42)

Jose F. March-Rico & Brian D. Wirth. (2023) Stress states and point defect capture radii of dislocation a-loops and c-loops in alpha-zirconium. Journal of Nuclear Materials 587, pages 154752.
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Rongxuan Xie, Chuanlong Xu, Xiaobao Tian, Qingyuan Wang, Wentao Jiang & Haidong Fan. (2023) Interaction between basal edge/mixed <a> dislocations and point defects in zirconium. International Journal of Plasticity 171, pages 103815.
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Qingyi Feng, Hongxiang Deng, Biyi Wang, Bo li, Xia Xiang, Li Li, Bo Zhong, Sean Li & Xiaotao Zu. (2023) Gamma‐ray irradiation effect on microstructure and physical performances of porous silica. Journal of the American Ceramic Society 106:11, pages 6555-6564.
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E. Torres & C. Maxwell. (2023) Effect of irradiation damage on the tensile deformation of -zirconium systems: A molecular dynamics study . Computational Materials Science 222, pages 112088.
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Benjamin Weitkamp Lamm & David Joseph Mitchell. (2023) Chemical Vapor Deposition of Zirconium Compounds: A Review. Coatings 13:2, pages 266.
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Qingyi Feng, Hongxiang Deng, Biyi Wang, Bo li, Xia Xiang, Li Li, Xiaodong Yuan, Wanguo Zheng, Hongdong Yang, Sean Li & Xiaotao Zu. (2022) Neutron irradiation effect on amorphous porous silica. Journal of the American Ceramic Society 105:12, pages 7334-7343.
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E. Torres, C. Maxwell & T.P. Kaloni. (2022) Stochastic core–shell (SCS) approximation for accelerated atomistic modeling of irradiation-induced damage in materials. Computational Materials Science 209, pages 111337.
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Rongxuan Xie, Chuanlong Xu, Xiaobao Tian, Qingyuan Wang, Wentao Jiang & Haidong Fan. (2022) Strengthening/softening effects of vacancies on twinning deformation in zirconium. Journal of Nuclear Materials 560, pages 153507.
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Jose F. March-Rico & Brian D. Wirth. (2022) Defect cluster configurations and mobilities in α-Zr: A comparison of the BMD19 and M07 interatomic potentials. Journal of Nuclear Materials 559, pages 153441.
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Defei Li, Jing Tang, Xiaobao Tian, Qingyuan Wang, Wentao Jiang & Haidong Fan. (2022) Molecular dynamics simulations on the interactions between basal edge dislocation and point defects in magnesium at low temperature. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 510, pages 20-28.
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Divya Singh. 2022. Forcefields for Atomistic-Scale Simulations: Materials and Applications. Forcefields for Atomistic-Scale Simulations: Materials and Applications 123 131 .
Jiting Tian, Qijie Feng, Jian Zheng, Xiao Liu & Wei Zhou. (2021) Radiation damage buildup and basal vacancy cluster formation in hcp zirconium: A molecular dynamics study. Journal of Nuclear Materials 551, pages 152920.
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Jing Tang, Xiaobao Tian, Wentao Jiang, Qingyuan Wang, DeAn Wei, Xu Zhang & Haidong Fan. (2021) Interactions between twin boundary and point defects in magnesium at low temperature. Journal of Materials Research 36:13, pages 2639-2650.
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Jose F. March-Rico, C. Miller McSwain & Brian D. Wirth. (2020) Quantifying the impact of an electronic drag force on defect production from high-energy displacement cascades in α-zirconium. Journal of Nuclear Materials 542, pages 152539.
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Christopher Maxwell, Jeremy Pencer & Edmanuel Torres. (2020) Atomistic simulation study of clustering and evolution of irradiation-induced defects in zirconium. Journal of Nuclear Materials 531, pages 151979.
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Roger E. Stoller & Eva Zarkadoula. 2020. Comprehensive Nuclear Materials. Comprehensive Nuclear Materials 620 662 .
Qin Ran, Huan Wang, Rui Zhong, Jian-Chun Wu, Yu Zou & Jun Wang. (2019) Diffusion behavior of di-interstitials with different configurations in tungsten. Acta Physica Sinica 68:12, pages 126701.
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Qurat-ul-ain Sahi & Yong-Soo Kim. (2018) Molecular dynamics simulations of the coupled effects of strain and temperature on displacement cascades in α-zirconium. Nuclear Engineering and Technology 50:6, pages 907-914.
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Qurat-ul-ain Sahi & Yong-Soo Kim. (2018) Primary radiation damage characterization of α -iron under irradiation temperature for various PKA energies . Materials Research Express 5:4, pages 046518.
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Zhongwen Yao, Mark Daymond, Sali Di & Yasir Idrees. (2017) Irradiation Induced Defect Clustering in Zircaloy-2. Applied Sciences 7:8, pages 854.
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Avinash Parashar & Divya Singh. (2017) Molecular dynamics based study of an irradiated single crystal of niobium. Computational Materials Science 131, pages 48-54.
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Yanan Jin & Wensheng Lai. (2016) Influence of thermal barrier effect of grain boundaries on bulk cascades in alpha-zirconium revealed by molecular dynamics simulation. Journal of Nuclear Materials 470, pages 97-101.
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H Wang, D S Xu & R Yang. (2014) Defect clustering upon dislocation annihilation in α -titanium and α -zirconium with hexagonal close-packed structure . Modelling and Simulation in Materials Science and Engineering 22:8, pages 085004.
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Tian-Yu Wu, Meng-Meng Peng, Xiao-Feng Luo & Wen-Sheng Lai. (2013) Influence of Temperature and Stress on Near-Surface Cascades in Alpha-Zirconium Revealed by Molecular Dynamics Simulation. Chinese Physics Letters 30:9, pages 096106.
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Tian-Yu Wu, Wen-Sheng Lai & Bao-Qin Fu. (2013) Study of lattice thermal conductivity of alpha-zirconium by molecular dynamics simulation. Chinese Physics B 22:7, pages 076601.
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Prithwish K. Nandi & Jacob Eapen. (2013) Cascade Overlap in hcp Zirconium: Defect Accumulation and Microstructure Evolution with Radiation using Molecular Dynamics Simulations . MRS Proceedings 1514, pages 37-42.
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R.E. Stoller. 2012. Comprehensive Nuclear Materials. Comprehensive Nuclear Materials 293 332 .
C.H. Woo & Xiangli Liu. (2009) Generation of c-component edge dislocations in α-zirconium during neutron irradiation – An atomistic study. Journal of Nuclear Materials 393:3, pages 513-517.
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C. Arévalo, M.J. Caturla & J.M. Perlado. (2005) Long-term behaviour of irradiated hcp Zr using Monte Carlo simulations. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 228:1-4, pages 176-180.
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Yu.N Osetsky & D.J Bacon. (2003) Atomic-scale modelling of primary damage and properties of radiation defects in metals. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 202, pages 31-43.
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C. Arévalo, M.J. Caturla & J.M. Perlado. (2011) Defect diffusion in hcp Zirconium: A kinetic Monte Carlo approach. MRS Proceedings 792.
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Yu.N. Osetsky, D.J. Bacon, B.N. Singh & B. Wirth. (2002) Atomistic study of the generation, interaction, accumulation and annihilation of cascade-induced defect clusters. Journal of Nuclear Materials 307-311, pages 852-861.
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N. de Diego, Y. N. Osetsky & D. J. Bacon. (2002) Mobility of interstitial clusters in alpha-zirconium. Metallurgical and Materials Transactions A 33:3, pages 783-789.
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D. J. Bacon & V. Vitek. (2002) Atomic-scale modeling of dislocations and related properties in the hexagonal-close-packed metals. Metallurgical and Materials Transactions A 33:3, pages 721-733.
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F. Gao, D.J. Bacon, L.M. Howe & C.B. So. (2001) Temperature-dependence of defect creation and clustering by displacement cascades in α-zirconium. Journal of Nuclear Materials 294:3, pages 288-298.
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W.J. Zhu & C.H. Woo. (2011) Self-interstitial Diffusion in α-Zirconium. MRS Proceedings 677.
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A.Mari Carmen Pérez-Martı́n, Javier Domı́nguez-Vázquez & José J Jiménez-Rodrı́guez. (2000) A MD study of low energy boron bombardment on silicon. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 164-165, pages 431-440.
Crossref
Nieves de Diego, Yuri N. Osetsky & David J. Bacon. (2011) Mobility of Interstitial Clusters in HCP Zirconium. MRS Proceedings 650.
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C.H Woo. (2000) Defect accumulation behaviour in hcp metals and alloys. Journal of Nuclear Materials 276:1-3, pages 90-103.
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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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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.
Crossref
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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