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Part A: Materials Science

Continuous description of a grain boundary in forsterite from atomic scale simulations: the role of disclinations

Xiao-Yu SunUnité Matériaux et Transformations, UMR 8207 CNRS/Université Lille1, Villeneuve d’Ascq, FranceCorrespondence[email protected]

Patrick CordierUnité Matériaux et Transformations, UMR 8207 CNRS/Université Lille1, Villeneuve d’Ascq, France

Vincent TaupinLaboratoire d’Etude des Microstructures et de Mécanique des Matériaux (LEM3), Université de Lorraine/CNRS, Metz Cedex, France

Claude FressengeasLaboratoire d’Etude des Microstructures et de Mécanique des Matériaux (LEM3), Université de Lorraine/CNRS, Metz Cedex, France

Sandro JahnDeutsches GeoForschungsZentrum GFZ, Potsdam, Germany;Institut für Geologie und Mineralogie, Universität zu Köln, Köln, Germany

Pages 1757-1772 | Received 13 Jan 2016, Accepted 06 Apr 2016, Published online: 05 May 2016

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https://doi.org/10.1080/14786435.2016.1177232
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Sylvie Demouchy, Manuel Thieme, Fabrice Barou, Benoit Beausir, Vincent Taupin & Patrick Cordier. (2023) Dislocation and disclination densities in experimentally deformed polycrystalline olivine. European Journal of Mineralogy 35:2, pages 219-242.
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Jean Furstoss, Pierre Hirel, Philippe Carrez & Patrick Cordier. (2022) Complexions and stoichiometry of the 60.8°//[100](011) symmetrical tilt grain boundary in Mg2SiO4 forsterite: A combined empirical potential and first-principles study. American Mineralogist 107:11, pages 2034-2043.
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Sylvie Demouchy. (2021) Defects in olivine. European Journal of Mineralogy 33:3, pages 249-282.
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Patrick Zarnas, Rémi Dingreville, Brittany Muntifering, Khalid Hattar, Brad L. Boyce & Jianmin Qu. (2020) Statistical analysis of the interaction between irradiation-induced defects and triple junctions. Advanced Modeling and Simulation in Engineering Sciences 7:1.
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Claude Fressengeas & Vincent Taupin. (2020) Revisiting the Application of Field Dislocation and Disclination Mechanics to Grain Boundaries. Metals 10:11, pages 1517.
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X.Y. Sun, C. Fressengeas, V. Taupin, P. Cordier & N. Combe. (2018) Disconnections, dislocations and generalized disclinations in grain boundary ledges. International Journal of Plasticity 104, pages 134-146.
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J. D. Clayton. (2017) Mesoscale models of interface mechanics in crystalline solids: a review. Journal of Materials Science 53:8, pages 5515-5545.
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K. Marquardt & U. H. Faul. (2018) The structure and composition of olivine grain boundaries: 40 years of studies, status and current developments. Physics and Chemistry of Minerals 45:2, pages 139-172.
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Boris Mantisi, Nicolas Sator & Bertrand Guillot. (2017) Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective. Geochimica et Cosmochimica Acta 219, pages 160-176.
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Barbara Romanowicz & Hans-Rudolf Wenk. (2017) Anisotropy in the deep Earth. Physics of the Earth and Planetary Interiors 269, pages 58-90.
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S Mahendran, P Carrez, S Groh & P Cordier. (2017) Dislocation modelling in Mg 2 SiO 4 forsterite: an atomic-scale study based on the THB1 potential . Modelling and Simulation in Materials Science and Engineering 25:5, pages 054002.
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Johannes Wagner, Omar Adjaoud, Katharina Marquardt & Sandro Jahn. (2016) Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations. Contributions to Mineralogy and Petrology 171:12.
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Xiao-Yu Sun, Vincent Taupin, Patrick Cordier, Claude Fressengeas & Bijaya B. Karki. (2016) Influence of pressure on dislocation, disclination, and generalized-disclination structures of a {310}/[001] tilt grain boundary in MgO. Journal of Materials Research 31:20, pages 3108-3114.
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Continuous description of a grain boundary in forsterite from atomic scale simulations: the role of disclinations

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Continuous description of a grain boundary in forsterite from atomic scale simulations: the role of disclinations

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