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The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics
Series 8
Volume 35, 1977 - Issue 3
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Original Articles

Atomistic breathing shell model calculations of dislocation core configurations in ionic crystals

C. H. Woo Materials Science Branch, Atomic Energy of Canada Limited, Whiteshell Nuclear Research Establishment, Pinawa, Manitoba, ROE ILO, Canada
&
M. P. Puls Materials Science Branch, Atomic Energy of Canada Limited, Whiteshell Nuclear Research Establishment, Pinawa, Manitoba, ROE ILO, Canada
Pages 727-756 | Received 11 May 1976, Accepted 17 Nov 1976, Published online: 13 Sep 2006

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C. H. Henager$suffix/text()$suffix/text() & R. G. Hoagland. (2005) Dislocation and stacking fault core fields in fcc metals. Philosophical Magazine 85:36, pages 4477-4508.
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A. Foitzik, P. Haasen & W. Skrotzki. (1991) High resolution TEM of dissociated dislocations in PbS. Philosophical Magazine A 64:1, pages 29-37.
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Jacques Rabier & ManfredP. Puls. (1989) On the core structures of edge dislocations in NaCl and MgO. Consequences for the core configurations of dislocation dipoles. Philosophical Magazine A 59:4, pages 821-842.
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J. Rabier & M.P. Puls. (1989) Atomistic calculations of point-defect interaction and migration energies in the core of an edge dislocation in NaCl. Philosophical Magazine A 59:3, pages 533-546.
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M. Heggie & M. Nylén. (1984) Dislocation core structures in α quartz derived from a valence force potential. Philosophical Magazine B 50:5, pages 543-555.
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M.P. Puls. (1983) Vacancy-dislocation interaction energies in MgO A re-analysis. Philosophical Magazine A 47:4, pages 497-513.
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ParT. Bretheau, J. Castaing, J. Rabier & P. Veyssière. (1979) Mouvement des dislocations et plasticité à haute température des oxydes binaires et ternaires. Advances in Physics 28:6, pages 835-1014.
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Articles from other publishers (30)

Jonathan Amodeo, Sébastien Merkel, Christophe Tromas, Philippe Carrez, Sandra Korte-Kerzel, Patrick Cordier & Jérôme Chevalier. (2018) Dislocations and Plastic Deformation in MgO Crystals: A Review. Crystals 8:6, pages 240.
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P. Hirel, P. Carrez, E. Clouet & P. Cordier. (2016) The electric charge and climb of edge dislocations in perovskite oxides: The case of high-pressure MgSiO3 bridgmanite. Acta Materialia 106, pages 313-321.
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Ph. Carrez, J. Godet & P. Cordier. (2015) Atomistic simulations of ½〈1 1 0〉 screw dislocation core in magnesium oxide. Computational Materials Science 103, pages 250-255.
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Xiaozhi Wu, Lili Liu, Weiguo Li, Rui Wang & Qing Liu. (2014) Effect of temperature on elastic constants, generalized stacking fault energy and dislocation cores in MgO and CaO. Computational Condensed Matter 1, pages 38-44.
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K Gouriet, Ph Carrez & P Cordier. (2014) Modelling [1 0 0] and [0 1 0] screw dislocations in MgSiO 3 perovskite based on the Peierls–Nabarro–Galerkin model . Modelling and Simulation in Materials Science and Engineering 22:2, pages 025020.
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L. Liu, X. Z. Wu, R. Wang, H. F. Feng & S. Wu. (2012) High-pressure effect on elastic constants, stacking fault energy and correlation with dislocation properties in MgO and CaO. The European Physical Journal B 85:7.
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Emmanuel Clouet. (2011) Dislocation core field. I. Modeling in anisotropic linear elasticity theory. Physical Review B 84:22.
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Emmanuel Clouet, Lisa Ventelon & F. Willaime. (2011) Dislocation core field.II. Screw dislocation in iron. Physical Review B 84:22.
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H.J. Chu, J. Wang, C.Z. Zhou & I.J. Beyerlein. (2011) Self-energy of elliptical dislocation loops in anisotropic crystals and its application for defect-free core/shell nanowires. Acta Materialia 59:18, pages 7114-7124.
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A. M. Walker, P. Carrez & P. Cordier. (2018) Atomic-scale models of dislocation cores in minerals: progress and prospects. Mineralogical Magazine 74:3, pages 381-413.
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Feiwu Zhang, Andrew M. Walker, Kate Wright & Julian D. Gale. (2010) Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion. Journal of Materials Chemistry 20:46, pages 10445.
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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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V. Vitek & V. Paidar. 2008. A Tribute to F.R.N. Nabarro. A Tribute to F.R.N. Nabarro 439 514 .
Yue Zheng, Biao Wang & C.H. Woo. (2007) Effects of interface dislocations on properties of ferroelectric thin films. Journal of the Mechanics and Physics of Solids 55:8, pages 1661-1676.
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Andrew M. Walker, Julian D. Gale, Ben Slater & Kate Wright. (2005) Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. Physical Chemistry Chemical Physics 7:17, pages 3227.
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A. T. Blumenau, M. I. Heggie, C. J. Fall, R. Jones & T. Frauenheim. (2002) Dislocations in diamond: Core structures and energies. Physical Review B 65:20.
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S.I. Golubov, Xiangli Liu, Hanchen Huang & C.H. Woo. (2001) GFCUBHEX: Program to calculate elastic Green's functions and displacement fields for applications in atomistic simulations of defects in cubic and HCP crystals. Computer Physics Communications 137:2, pages 312-324.
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Charles H. HenagerJr.Jr. & Richard G. Hoagland. (2011) Forces between Dislocations due to Dislocation Core Fields. MRS Proceedings 652.
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V.V. Bulatov, O. Richmond & M.V. Glazov. (1999) An atomistic dislocation mechanism of pressure-dependent plastic flow in aluminum. Acta Materialia 47:12, pages 3507-3514.
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J. Ohta, K. Suzuki & T. Suzuki. (2011) High-resolution electron microscopy of dislocations of MgO. Journal of Materials Research 9:11, pages 2953-2958.
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A Foitzik, W Skrotzki & P Haasen. (1989) Correlation between microstructure, dislocation dissociation and plastic anisotropy in ionic crystals. Materials Science and Engineering: A 113, pages 399-407.
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Roger C. Baetzold, Yen T. Tan & Philip W. Tasker. (1988) A computational approach to silver halide surfaces. Surface Science 195:3, pages 579-593.
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M. P. Puls. (2006) Vacancy-dislocation interaction energies in MgO A re-analysis. Philosophical Magazine Part B 47:4, pages 497-513.
Crossref
C.H. Woo. (1982) Intrinsic bias differential between vacancy loops and interstitial loops. Journal of Nuclear Materials 107:1, pages 20-30.
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B. Michel. (2006) Über das Wechselverhältnis von Kontinuumsmechanik und Strukturphysik fester Körper. Fortschritte der Physik 30:5, pages 233-310.
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R. Vetter, R. H. J. Fastenau & M. I. Baskes. (1981) Atomistic computer calculation of the dilatation caused by a 1/2 〈111〉 {110} edge dislocation in molybdenum. Physica Status Solidi (a) 67:2, pages 585-589.
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M.P. Puls. 1981. Dislocation Modelling of Physical Systems. Dislocation Modelling of Physical Systems 249 268 .
M. P. Puls & C. B. So. (1980) The Core Structure of an Edge Dislocation in NaCl. physica status solidi (b) 98:1, pages 87-96.
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R. J. Gaboriaud & J. Cadoz. (1979) Etude par microscopie électronique à haute tension de la configuration des dislocations, dans l'oxyde d'yttrium (Y2O3) monocristallin déformé plastiquement. Physica Status Solidi (a) 52:1, pages 95-101.
Crossref
J. Th. M. de Hosson. (2006) On the Vibrational Entropy of a ½ 〈111〉 {110} Edge Dislocation in B.C.C. Iron. physica status solidi (b) 87:1, pages 151-161.
Crossref

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