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The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics
Series 8
Volume 36, 1977 - Issue 6
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Original Articles

Shell-model calculations of interaction energies between point defects and dislocations in ionic crystals

M. P. Puls Materials Science Branch, Atomic Energy of Canada Limited, Whiteshell Nuclear Research Establishment, Pinawa, Manitoba, ROE 1LO, Canada
,
C. H. Woo Materials Science Branch, Atomic Energy of Canada Limited, Whiteshell Nuclear Research Establishment, Pinawa, Manitoba, ROE 1LO, Canada
&
M. J. Norgett Materials Science Branch, Atomic Energy of Canada Limited, Whiteshell Nuclear Research Establishment, Pinawa, Manitoba, ROE 1LO, Canada; Theoretical Physics Division, AERE, Harwell, Didcot, Oxon, England
Pages 1457-1472 | Received 29 Jul 1977, Published online: 13 Sep 2006

Citations (36)

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Read on this site (11)

G.W. Watson, E.T. Kelsey & S.C. Parker. (1999) Atomistic simulation of screw dislocations in rock salt structured materials. Philosophical Magazine A 79:3, pages 527-536.
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S.C. Parker, P.M. Oliver, N.H. De Leeuw, J.O. Titiloye & G.W. Watson. (1997) Atomistic simulation of mineral surfaces: Studies of surface stability and growth. Phase Transitions 61:1-4, pages 83-107.
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J. Rabier, J. Soullard & M.P. Puls. (1990) Atomistic calculations of point-defect interactions with an edge dislocation in NiO. Philosophical Magazine A 61:1, pages 99-108.
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J. Rabier & M.P. Puls. (1985) Atomistic model calculations of pipe-diffusion mechanisms in MgO. Philosophical Magazine A 52:4, pages 461-473.
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M.P. Puls. (1985) Dipole tensors and changes in elastic constants produced by defects in ionic crystals. Philosophical Magazine A 51:6, pages 893-911.
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D.M. Duffy & P.W. Tasker. (1985) A calculation of the interaction between impurity ions and grain boundaries in NiO. Philosophical Magazine A 50:2, pages 155-169.
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D.M. Duffy & P.W. Tasker. (1985) A calculation of the formation energies of intrinsic defects near grain boundaries in NiO. Philosophical Magazine A 50:2, pages 143-154.
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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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J. Rabier & M.P. Puls. (1983) Calculations of pipe diffusion coefficients in MgO. Radiation Effects 75:1-4, pages 193-201.
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M.P. Puls. (1980) Vacancy-dislocation interaction energies in MgO. Philosophical Magazine A 41:3, pages 353-368.
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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 (25)

Rouzbeh Shahsavari, Lu Chen & Lei Tao. (2016) Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis. Cement and Concrete Research 90, pages 80-88.
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Rouzbeh Shahsavari, Lei Tao & Lu Chen. (2016) Structure, Energetics, and Impact of Screw Dislocations in Tricalcium Silicates. Journal of the American Ceramic Society 99:7, pages 2512-2520.
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Rouzbeh Shahsavari & Lu Chen. (2015) Screw Dislocations in Complex, Low Symmetry Oxides: Core Structures, Energetics, and Impact on Crystal Growth. ACS Applied Materials & Interfaces 7:4, pages 2223-2234.
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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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V. Vitek & V. Paidar. 2008. A Tribute to F.R.N. Nabarro. A Tribute to F.R.N. Nabarro 439 514 .
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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Alexey Kislov. 2005. Zinc Oxide — A Material for Micro- and Optoelectronic Applications. Zinc Oxide — A Material for Micro- and Optoelectronic Applications 183 194 .
Andrew M. Walker, Ben Slater, Julian D. Gale & Kate Wright. (2004) Predicting the structure of screw dislocations in nanoporous materials. Nature Materials 3:10, pages 715-720.
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Marshall Stoneham, Alexander Shluger, Adam Foster & Marek Szymanski. 2003. High k Gate Dielectrics. High k Gate Dielectrics.
Graeme W. Watson, Peter M. Oliver & Stephen C. Parker. (2001) Atomistic simulation of crystal growth at the a〈100〉 screw dislocation terminating at the {100} surface of MgO. Surface Science 474:1-3, pages L185-L190.
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Jacques Soullard. (1995) Vacancy clustering in manganese oxide. Journal of Physics and Chemistry of Solids 56:1, pages 129-134.
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A B Lidiard. (1993) Atomistic calculations of defects in ionic solids-their development and their significance. Journal of Physics: Condensed Matter 5:34B, pages B137-B148.
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J H Harding. (1990) Computer simulation of defects in ionic solids. Reports on Progress in Physics 53:11, pages 1403-1466.
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John M. Vail. (1990) Theory of electronic defects: Applications to MgO and alkali halides. Journal of Physics and Chemistry of Solids 51:7, pages 589-607.
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D.M. Duffy & P.W. Tasker. (1985) Computer simulation of grain boundaries in ionic crystals. Physica B+C 131:1-3, pages 46-52.
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C.R.A. Catlow, C.M. Freeman & R.L. Royle. (1985) Recent studies using static simulation techniques. Physica B+C 131:1-3, pages 1-12.
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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
R.B. Schwarz & L.L. Funk. (1983) Internal-friction study of solute segregation to dislocations. Acta Metallurgica 31:2, pages 299-315.
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P. W. Tasker. 1983. Mass Transport in Solids. Mass Transport in Solids 457 475 .
P. Kálmán, A. Tóth, T. Keszthelyi & J. Sárközi. (1982) Low temperature solution hardening due to lattice distortion around impurity-vacancy pairs in calcium-doped NaCl crystals. Materials Science and Engineering 54:1, pages 85-93.
Crossref
A. M. STONEHAM. (1981) Ceramic Surfaces: Theoretical Studies. Journal of the American Ceramic Society 64:1, pages 54-60.
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R. W. BALLUFFI, P. D. BRISTOWE & C. P. SUN. (1981) Structure of High-Angle Grain Boundaries in Metals and Ceramic Oxides. Journal of the American Ceramic Society 64:1, pages 23-34.
Crossref
M.P. Puls. 1981. Dislocation Modelling of Physical Systems. Dislocation Modelling of Physical Systems 249 268 .
T. E. MITCHELL. (1979) Application of Transmission Electron Microscopy to the Study of Deformation in Ceramic Oxides. Journal of the American Ceramic Society 62:5-6, pages 254-267.
Crossref
C R A Catlow, J Corish, K M Diller, P W M Jacobs & M J Norgett. (1979) The contribution of vacancy defects to mass transport in alkali halides-an assessment using theoretical calculations of defect energies. Journal of Physics C: Solid State Physics 12:3, pages 451-464.
Crossref

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