Chemistry, morphology and structural characteristics of synthetic Al-lizardite

Clay Minerals

Volumn 45, Issue 2, 2010, Pages 381-413

  Bentabol, M ^a   Ruiz Cruz, M D ^a   Sobrados, I ^b  

^a UNIVERSITY OF MÁLAGA   (Spain)

^b INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

Al lizardite; amesite; hydrothermal synthesis; kaolinite; serpentine

Indexed keywords

AL DISTRIBUTION; AL-LIZARDITE; AMESITE; CELL PARAMETER; HYDROTHERMAL CONDITIONS; LIZARDITE; PLATY PARTICLES; POLYTYPES; SPACE GROUPS; STACKING DISORDERS; STRUCTURAL CHARACTERISTICS;

COPPER NICKEL ORE TREATMENT; HIGH RESOLUTION TRANSMISSION ELECTRON MICROSCOPY; HOLOGRAPHIC INTERFEROMETRY; HYDROTHERMAL SYNTHESIS; KAOLINITE; SCANNING ELECTRON MICROSCOPY; SERPENTINE; SILICATE MINERALS; X RAY DIFFRACTION;

ALUMINUM;

ALUMINUM; CHEMICAL COMPOSITION; CHEMISTRY; HYDROTHERMAL SYSTEM; KAOLINITE; LIZARDITE; MORPHOLOGY; PARAMETERIZATION; SERPENTINE; TRANSMISSION ELECTRON MICROSCOPY; X-RAY DIFFRACTION;

EID: 77954978204     PISSN: 00098558     EISSN: 14718030     Source Type: Journal    
DOI: 10.1180/claymin.2010.045.2.131     Document Type: Article

References (181)

1. Asaro, R.J., Hirth, J.P., Barnett, D.M. and Lothe, J. (1973) A further synthesis of sextic and integral theories for dislocations and line forces in anisotropic media. Physica Status Solidi b, 60, 261-271.
2. Bigger, J.R.K., McInnes, D.A., Sutton, A.P., Payne, M.C., Stich, I., King-Smith, R.D., Bird, D.M. and Clarke, L.J. (1992) Atomic and electronic structures of the 90° partial dislocation in silicon. Physical Review Letters, 69, 2224-2227.
3. Bilby, B.A. and Smith, E. (1956) Continuous distributions of dislocations. III. Proceedings of the Royal Society A, 236, 481-505.
4. Bilby, B.A., Bullough, R. and Smith, E. (1955) Continuous distributions of dislocations: A new application of the methods of non-Riemannian geometry. Proceedings of the Royal Society A, 231, 263-273.
5. Blumenau, A.T., Heggie, M.I., Fall, C.J., Jones, R. and Frauenheim, T. (2002) Dislocations in diamond: Core structures and energies. Physical Review B, 65, art. num. 205205.
6. Braithwaite, J.S., Sushko, P.V., Wright, K. and Catlow, C.R.A. (2002) Hydrogen defects in forsterite: A test case for the embedded cluster method. Journal of Chemical Physics, 116, 2628-2635.
7. Brodholt, J.P. (1997) Ab initio calculations on point defects in forsterite (Mg2SiO4) and implications for diffusion and creep. American Mineralogist, 82, 1049-1053.
8. Brunner, D., Taeri-Baghbadrani, S., Sigle, W. and Rühle, M. (2001) Surprising results of a study on the plasticity in strontium titanate. Journal of the American Ceramic Society, 84, 1161-1163.
9. Bulatov, V.V. and Kaxiras E. (1997) Semidiscrete variational Peierls framework for dislocation core properties. Physical Review Letters, 78, 4221-4224
10. Burgers, J.M. (1939) Some considerations on the fields of stress connected with dislocations. Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, 42, 293.
11. Burton, W.K., Cabrera, N. and Frank, F.C. (1949) Role of dislocations in crystal growth. Nature, 163, 398-399.
12. Cai, W., Bulatov, V.V., Chang, J., Li, J. and Yip, S. (2001) Anisotropic elastic interactions of a periodic dislocation array. Physical Review Letters, 86, 5727-5730.
13. Cai, W., Bulatov, V.V., Chang, J., Li, J. and Yip, S. (2003) Periodic image effects in dislocation modelling. Philosophical Magazine, 83, 539-567.
14. Carrez, P., Cordier, D., Mainprice, D. and Tommasi, A. (2006) Slip systems and plastic shear anisotropy in Mg2SiO4 ringwoodite: insights from numerical modelling. European Journal of Mineralogy, 18, 149-160.
15. Carrez, P., Ferré , D. and Cordier, D. (2007a) Implications for plastic flow in the deep mantle from modelling dislocations in MgSiO3 minerals. Nature, 446, 68-70.
16. Carrez, P., Ferré, D. and Cordier, D. (2007b) Peierls-Nabarro model for dislocations in MgSiO3 postperovskite calculated at 120 GPa from first principles. Philosophical Magazine, 87, 3229-3247.
17. Carrez, P., Walker, A.M., Metsue, A. and Cordier, D. (2008) Evidence from numerical modelling for 3D spreading of [001] screw dislocations in Mg2SiO4 forsterite. Philosophical Magazine, 88, 2477-2485.
18. Carrez, P., Ferré, D. and Cordier, D. (2009a) Peierls-Nabarro modelling of dislocations in MgO from ambient pressure to 100 GPa. Modelling and Simulation in Materials Science and Engineering, 17, art. num. 035010. doi:10.1088/0965-0393/17/3/ 035010
19. Carrez, P., Ferré, D. and Cordier, D. (2009b) Thermal activation of dislocation glide in MgO based on an Elastic-Interaction model of kink-pair nucleation. IOP Conference Series: Materials Science and Engineering, 3, art. num. 012011. doi:10.1088/ 1757-899X/3/012011
20. Chen, J., Inoue, T., Weidner, D.J., Wu, Y. and Vaughan, M.T. (1998) Strength and water weakening of mantle minerals, olivine, wadsleyite and ringwoodite. Geophysical Research Letters, 25, 575-578.
21. Christian J.W. and Vítek, V. (1970) Dislocations and stacking faults. Reports on Progress in Physics, 33, 307-411.
22. Clouet, E. (2009) Elastic energy of a straight dislocation and contribution from core tractions. Philosophical Magazine, 89, 1565-1584.
23. Clouet, E. Ventelon, L. and Willaime, F. (2009) Dislocation core energies and core fields from first principles. Physical Review Letters, 102, art. num. 055502.
24. Cordier, P. (2002) Dislocations and slip systems in mantle minerals. Pp. 137-179 in: Plastic Deformation and Deformation Microstructure in Earth Materials (S.-I. Karato and H.-R. Wenk, editors). Reviews in Mineralogy, 51. Mineralogical Society of America, Washington D.C.
25. Cordier, P., Barbe, F., Durinck, J., Tommasi, A. and Walker A.M. (2005) Plastic deformation of minerals at high pressure: multiscale numerical modelling. Pp. 389-415 in: Mineral Behaviour at Extreme Conditions (R. Miletich, editor). EMU Notes in Mineralogy, 7, Eötvö s University Press, Budapest.
26. Couret, A. and Caillard, D. (1989) Prismatic slip in beryllium I. The controlling mechanism at the peak temperature. Philosophical Magazine A, 59, 783-800.
27. Couvy, H., Frost, D.J., Heidelbach, F., Nyilas, K., Ungár, T., Mackwell, S. and Cordier, P. (2004) Shear deformation experiments of forsterite at 11 GPa - 1400°C in the multianvil apparatus. European Journal of Mineralogy, 16, 877-889.
28. Davis, K.J., Dove, P.M. and De Yoreo, J.J. (2000) The role of Mg2+ as an impurity in calcite growth. Science, 290, 1134-1137.
29. Dehlinger, U. (1929) Zur Theorie der Rekristallisation reiner Metalle. Annalen der Physik, 393, 749-793.
30. de Koning, M., Antonelli, A., Buzant, M.Z., Kaxiras, E. and Justo, J.F. (1998) Finite-temperature molecular dynamics study of unstable stacking fault free energies in silicon. Physical Review B, 58, 12555-12558.
31. Denoual, C. (2004) Dynamic dislocation modeling by combining Peierls Nabarro and Galerkin methods. Physical Review B, 70, art. num. 024106.
32. Denoual, C. (2007) Modeling dislocation by coupling Peierls-Nabarro and element-free Galerkin methods. Computer Methods in Applied Mechanics and Engineering, 196, 1915-1923.
33. Dorn, J.E. and Rajnak, S. (1964) Nucleation of kink pairs and the Peierls mechanism of plastic deformation. Transactions of the Metallurgical Society of AIME, 230, 1052-1064
34. Dumrul, S., Bazzana, S., Warzywoda, J., Biederman, R.R. and Sacco, A. (2002) Imaging of crystal growth-induced fine surface features in zeolite A by atomic force microscopy. Microporous and Mesoporous Materials, 54, 79-88.
35. Dupas, C., Doukhan, N., Doukhan, J.-C., Green, H.W.I. and Young, T.E. (1994) Analytical electron microscopy of a synthetic peridotite experimentally deformed in the b olivine stability field. Journal of Geophysical Research, 99, 15821-15832.
36. Dupas-Bruzek, C., Sharp, T.G., Rubie, D.C. and Durham, W.B. (1998) Mechanisms of transformation and deformation in Mg1.8Fe0.2SiO4 olivine and wadsleyite under non-hydrostatic stress. Physics of the Earth and Planetary Interiors, 108, 33-48.
37. Durinck, J., Legris, A. and Cordier, P. (2005a) Influence of crystal chemistry on ideal plastic shear anisotropy in forsterite: First principle calculations. American Mineralogist, 90, 1072-1077.
38. Durinck, J., Legris, A. and Cordier, P. (2005b) Pressure sensitivity of olivine slip systems: first-principle calculations of generalised stacking faults. Physics and Chemistry of Minerals, 32, 646-654.
39. Durinck, J., Carrez, P. and Cordier, P. (2007) Application of the Peierls-Nabarro model to dislocations in forsterite. European Journal of Mineralogy, 19, 631-639.
40. Ewels, C.P., Wilson, N.T., Heggie, M.I., Jones, R. and Briddon, P.R. (2001) Graphitization at diamond dislocation cores. Journal of Physics: Condensed Matter, 13, 8965- 8972.
41. Ferré, D., Carrez, P. and Cordier, P. (2007) First principles determination of dislocations properties of MgSiO3 perovskite at 30 GPa based on the Peierls-Nabarro model. Physics of the Earth and Planetary Interiors, 163, 283-291.
42. Ferré, D., Carrez, P. and Cordier, P. (2008) Modelling dislocation cores in SiTiO3 using the Peierls-Nabarro model. Physical Review B, 77, art. no.014106.
43. Ferré, D., Carrez, P. and Cordier, P. (2009a) Dislocation modeling in calcium silicate perovskite based on the Peierls-Nabarro model. American Mineralogist, 94, 135-142.
44. Ferré, D., Carrez, P. and Cordier, P. (2009b) Peierls dislocation modelling in perovskite (SaTiO3): comparison with tausonite (SrTiO3) and MgSiO3 perovskite. Physics and Chemistry of Minerals, 36, 233-239.
45. Frank, F.C. (1951) Crystal dislocations - Elementary concepts and definitions. Philosophical Magazine Series 7, 42, 809-819.
46. Frost, H.J. and Ashby, M.F. (1982) Deformation-Mechanism Maps: The Plasticity and Creep of Metals and Ceramics. Pergamon Press, Oxford, UK.
47. Gaboriaud, R.J. (2009) Dislocation core and pipe diffusion in Y2O3. Journal of Physics D: Applied Physics, 42, art. num. 135410.
48. Gale, J.D. and Rohl, A.L. (2003) The general utility lattice program (GULP). Molecular Simulation, 29, 291-341.
49. Gehlen, P.C., Hirth, J.P., Hoagland, R.G. and Kanninen, M.F. (1972) A new representation of the strain field associated with the cube-edge dislocation of a-iron. Journal of Applied Physics, 43, 3921-3933.
50. Gumbsch, P., Taeri-Baghbadrani, S., Brunner, D., Sigle, W. and Rü hle, M. (2001) Plasticity and an inverse brittle-to-ductile transition in strontium titanate. Physical Review Letters, 87, art. num. 085505
51. Hartford, J., von Sydow, B., Wahnström, G. and Lundqvist, B.I. (1998) Peierls barrier and stresses for edge dislocations in Pd and Al calculated from first principles. Physical Review B, 58, 2487-2496.
52. Healy, D., Reddy, S.M., Timms, N.E., Gray, E.M. and Brovarone, A.V. (2009) Trench-parallel fast axes of seismic anisotropy due to fluid-filled cracks in subducting slabs. Earth and Planetary Science Letters, 283, 75-86.
53. Heggie, M.I., Jenkins, S., Ewels, C.P., Jemmer, P., Jones, R. and Briddon, P.R. (2000) Theory of dislocations in diamond and silicon and their interactions with hydrogen. Journal of Physics: Condensed Matter, 12, 10263- 10270.
54. Heggie, M.I., Ewels, C.P., Martsinovich, N., Scarle, S., Jones, R., Goss, J.P., Hourahine, B. and Briddon, P.R. (2002) Glide dislocations in diamond: firstprinciples calculations of similarities with and differences from silicon and the effects of hydrogen. Journal of Physics: Condensed Matter, 14, 12689-12696.
55. Hirose, K. (2006) Post-perovskite phase transition and its geophysical implications. Reviews of Geophysics, 44, RG3001.
56. Hirth, J.P. (1972) Anisotropic elastic solutions for line force arrays. Scripta Metallurgica, 6, 535-540.
57. Hirth, J.P. and Lothe, J. (1984) Theory of Dislocations, 2nd edition. John Wiley and Sons, New York.
58. Hoagland, R.G., Hirth, J.P. and Gehlen, P.C. (1976) Atomic simulation of the dislocation core structure and Peierls stress in alkali halide. Philosophical Magazine, 34, 413-439.
59. Hull, D. and Bacon, D.J. (1984) Introduction to Dislocations. Pergamon Press, Oxford, UK.
60. Hunt, S.A., Weidner, D.J., Li, L., Wang, L., Walte, N.P., Brodholt, J.P. and Dobson, D.P. (2009) Weakening of calcium iridate during its transformation from perovskite to post-perovskite. Nature Geoscience, 2, 794-797.
61. Hÿtch, M.J., Snoeck, E. and Ki alas, R. (1998) Quantitative measurement of displacement and strain fields from HRTEM micrographs. Ultramicroscopy, 74, 131-146.
62. Hÿ tch, M.J., Putaux, J.-L. and Pénisson, J.-M. (2003) Measurement of the displacement field of dislocations to 0.03 Å by electron microscopy. Nature, 423, 270-273.
63. Iitaka, T., Hirose, K., Kawamura, K. and Murakami, M. (2004) The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle. Nature, 430, 442-445.
64. Ismail-Beigi, S. and Arias, T.A. (2000) Ab initio study of screw dislocations in Mo and Ta: a new picture of plasticity in bcc transition metals. Physical Review Letters, 84, 1499-1502.
65. Jia, C.L., Thust, A. and Urban, K. (2005) Atomic-scale analysis of the oxygen configuration at a SrTiO3 dislocation core. Physical Review Letters, 95, art. num. 225506.
66. Johnson, C.L., Hÿ tch, M.J., Buseck, P.R. (2004) Displacement and strain fields around a [100] dislocation in olivine measured to sub-angstrom accuracy. American Mineralogist, 89, 1374-1379.
67. Joó s, B., Ren, Q. and Duesbery, M.S. (1994) Peierls-Nabarro model of dislocations in silicon with generalized stacking-fault restoring forces. Physical Review B, 50, 5890-5898.
68. Jung, H. and Karato, S.-I. (2001) Water-induced fabric transition in olivine. Science, 293, 1460-1463.
69. Jung, H., Katayama, I., Jiang, Z., Hiraga, T. and Karato, S.-I. (2006) Effect of water and stress on the lattice preferred orientation in olivine. Tectonophysics, 421, 1-22
70. Jung, H., Mo, W. and Green, H.W. (2009) Upper mantle seismic anisotropy resulting from pressure-induced slip transition in olivine. Nature Geoscience, 2, 73-77.
71. Katayama, I. and Karato, S.-I. (2006) Effect of temperature on the B- to C-type olivine fabric transition and implications for flow pattern in subduction zones. Physics of the Earth and Planetary Interiors, 157, 33-45.
72. Katayama, I. and Karato, S.-I. (2008) Low temperature high stress deformation of olivine under water saturated conditions. Physics of the Earth and Planetary Interiors, 168, 125-133.
73. Katayama, I., Hirauchi, K., Michibayashi, K. and Ando, J. (2009) Trench-parallel anisotropy produced by serpentine deformation in the hydrated mantle wedge. Nature, 461, 1114-1117.
74. Kaplan, T., Liu, F., Mostoller, M., Chisholm, M.F. and Milman, V. (2000) First-principles study of impurity segregation in edge dislocations in Si. Physical Review B, 61, 1674-1676.
75. Kaxiras, E. and Duesbery, M.S. (1993) Free energies of generalized stacking faults in Si and implications for the brittle-ductile transition. Physical Review Letters, 70, 3752-3755.
76. Kinsland, G.L. and Basset, W.A. (1977) Strength of MgO and NaCl polycrystals to confining pressures of 250 kbar at 25°C. Journal of Applied Physics, 48, 978-986.
77. Koizumi, H., Kirchner, H.O.K. and Suzuki, T. (1993) Kink pair nucleation and critical shear stress. Acta Metallurgica et Materialia, 41, 3483-3493.
78. Kroupa, F. and Lejček, L. (1972) Splitting of dislocations in the Peierls-Nabarro model. Czechoslovak Journal of Physics B, 22, 813-825.
79. Lee, M.R. (2010) Transmission electron microscopy (TEM) of Earth and planetary materials: A review. Mineralogical Magazine, 74, 1-27.
80. Legros, M., Dehm, G., Arzt, E. and Balk, T.J. (2008) Observation of giant diffusivity along dislocation cores. Science, 319, 1646-1649.
81. Lejček, L. (1972) Peierls-Nabarro model of planar dislocation cores in BCC crystals. Czechoslovak Journal of Physics B, 22, 802-812.
82. Li., P., Karato, S.-I. and Wang, Z. (1996) Hightemperature creep in fine-grained polycrystalline CaTiO3, an analogue material of (Mg,Fe)SiO3 perovskite. Physics of the Earth and Planetary Interiors, 95, 19-36.
83. Li, J., Cai, W., Chang, J. and Yip, S. (2003) Atomistic measures of materials strength and deformation. Pp. 359-387 in: Computational Mineral Science (C.R.A. Catlow and E. Kotomin, editors). NATO Science Series III, 187, IOS Press, Amsterdam, The Netherlands.
84. Liu, F., Mostoller, M., Chisholm, M.F. and Kaplan, T. (1995) Electronic and elastic properties of edge dislocations in Si. Physical Review B, 51, 17192-17195.
85. Love, A.E.H. (1920) A Treatise on the Mathematical Theory of Elasticity, 3rd edition, Cambridge University Press, Cambridge, UK.
86. Lu, G. (2005) The Peierls-Nabarro Model of Dislocations: A venerable theory and its current development. Pp. 1-19 in: Handbook of Materials Modeling. Volume 1: Methods and Models (S. Yip, editor). Springer, Berlin.
87. Martsinovich, N., Heggie, M.I. and Ewels, C.P. (2003) First-principles calculations on the structure of hydrogen aggregates in silicon and diamond Journal of Physics: Condensed Matter, 15, S2815-S2824.
88. Matsunaga, T. and Saka, H. (2000) Transmission electron microscopy of dislocations in SrTiO3. Philosophical Magazine Letters, 80, 597-604.
89. Medvedeva, N.I., Mryasov, O.N., Gornostyrev, Y.N., Novikov, D.L. and Freeman, A.J. (1996) Firstprinciples total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl. Physical Review B, 54, 13506-13514.
90. Merkel, S., Kubo, A., Miyagi, L., Speziale, S., Duffy, T.S., Mao, H.-K. and Wenk, H.-R. (2006) Plastic deformation of MgGeO3 post-perovskite at lower mantle pressures. Science, 311, 644-646.
91. Merkel, S., McNamara, A.K., Kubo, A., Speziale, S., Miyagi, L., Meng, Y., Duffy, T.S. and Wenk, H.-R. (2007) Deformation of (Mg,Fe)SiO3 post-perovskite and D" anisotropy. Science, 316, 1729-1732.
92. Metsue, A., Carrez, P., Mainprice, D. and Cordier, P. (2009) Numerical modelling of dislocations and deformation mechanisms in CaIrO3 and MgGeO3 post-perovskites -Comparison with MgSiO3 postperovskite. Physics of the Earth and Planetary Interiors, 174, 165-173.
93. Metsue, A., Carrez, P., Denoual, C. and Cordier, P. (2010) Plastic deformation of wadsleyite: IV Dislocation core modelling based on the Peierls-Nabarro-Galerkin model. Acta Materialia, 58, 1467-1478.
94. Miranda, C.R. and Scandolo, S. (2005) Computational materials science meets geophysics: dislocations and sli p planes i n MgO. Computer Physics Communications, 169, 24-27.
95. Miyagi, L., Nishiyama, N., Wang, Y., Kubo, A., West, D.V., Cava, R.J., Duffy, T.S. and Wenk, H.-R. (2008) Deformation and texture development in CaIrO3 post-perovskite phase up to 6 GPa and 1300 K. Earth and Planetary Science Letters, 268, 515-525.
96. Miyagi, L., Merkel, S., Yagi, T., Sata, N., Ohishi, Y. and Wenk, H.-R. (2009) Diamond anvil cell deformation of CaSiO3 perovskite up to 49 GPa. Physics of the Earth and Planetary Interiors, 174, 159-164.
97. Miyajima, M. and Walte, N. (2009) Burgers vector determination in deformed perovskite and postperovskite of CaIrO3 using thickness fringes in weak-beam dark-field images. Ultramicroscopy, 109, 683-692.
98. Mookherjee, M., Stixrude, L. and Karki, B. (2008) Hydrous silicate melt at high pressure. Nature, 452, 983-986.
99. Mossenfelder, J.L., Connolly, J.A.D., Rubie, D.C. and Liu, M. (2000) Strength of (Mg,Fe)2SiO4 wadsleyite determined by relaxation of transformation stress. Physics of the Earth and Planetary Interiors, 120, 63-78.
100. Mryasov, O.N., Gornostyrev, Y.N. and Freeman, A.J. (1998) Generalized stacking-fault energetics and dislocation properties: compact versus spread unitdislocation structures in TiAl and CuAu. Physical Review B, 58, 11927-11932.
101. Murakami, M., Hirose, K., Kawamura, K., Sata, N. and Ohishi, Y. (2004) Post-perovskite phase transition in MgSiO3. Science, 304, 855-858.
102. Nabarro, F.R.N. (1947) Dislocations in a simple cubic lattice. Proceedings of the Physical Society of London, 59, 256-272.
103. Narayan, J. and Washburn, J. (1972) Self-climb of dislocation loops in magnesium oxide. Philosophical Magazine, 26, 1179-1190.
104. Ngan, A.H.W. (1997) A generalized Peierls-Nabarro model for non-planar screw dislocation cores. Journal of the Mechanics and Physics of Solids, 45, 903-921.
105. Nishigaki, J., Kuroda, K. and Saka, H. (1991) Electron microscopy of dislocation structures in SrTiO3 deformed at high temperatures. Physica Status Solidi (a), 128, 319-336.
106. Nishihara, Y., Tinker, D., Kawazoe, T., Xu, Y., Jing, Z., Matsukage, K.N. and Karato, S.-I. (2008) Plastic deformation of wadsleyite and olivine at highpressure and high-temperature using a rotational Drickamer apparatus (RDA). Physics of the Earth and Planetary Interiors, 170, 156-169.
107. Niwa, K., Yagi, T., Ohgushi, K., Merkel, S., Miyajima, N. and Kikegawa, T. (2007) Lattice preferred orientation in CaIrO3 perovskite and post-perovskite formed by plastic deformation under pressure. Physics and Chemistry of Minerals, 34, 679-686
108. Nocedal, J. (1980) Updating quasi-Newton matrices with limited storage. Mathematics of Computation, 25, 773-782.
109. Oganov, A.R. and Ono, S. (2004) Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer. Nature, 430, 445-448.
110. Oganov, A.R., Martoniák, R., Laio, A., Raiteri, P. and Parrinello, M. (2005) Anisotropy of Earth's D" layer and stacking faults in the MgSiO3 post-perovskite phase. Nature, 438, 1142-1144.
111. Orowan, E. (1934) Zur Kristallplastizität I-III. Zeitschrift für Physik A Hadrons and Nuclei, 89, 605-659.
112. Peierls, R. E. (1940) On the size of a dislocation. Proceedings of the Physical Society of London, 52, 34-37.
113. Pizzagalli, L., Godet, J. and Brochard, S. (2009) Glissile dislocations with transient cores in silicon. Physical Review Letters, 103, art. num. 065505.
114. Poirier, J.-P. (1985) Creep of Crystals. High-temperature Deformation Processes in Metals, Ceramics and Minerals. Cambridge University Press, Cambridge, UK.
115. Polanyi, M. (1934) Ü ber eine Art Gitterstörung, die einen Kristall plastisch machen könnte. Zeitschrift für Physik A Hadrons and Nuclei, 89, 660-664
116. Prandtl, L. (1928) Hypothetical model for the kinetic theory of solid bodies. Zeitschrift für Angewandte Mathematik und Mechanik, 8, 85.
117. Puls, M.P. (1980) Vacancy-dislocation interaction energies in MgO. Philosophical Magazine A, 41, 353-368.
118. Puls, M.P. (1983) Vacancy-dislocation interaction energies in MgO. A re-analysis. Philosophical Magazine A, 47, 497-513.
119. Puls, M.P. and Norgett, M.J. (1976) Atomic calculation of the core structure and Peierls energy of an (a/2)[110] edge dislocation in MgO. Journal of Applied Physics, 47, 466-477.
120. Puls, M.P., Woo, C.H. and Norgett, M.J. (1977) Shellmodel calculations of interaction energies between point defects and dislocations in ionic crystals. Philosophical Magazine, 36, 1457-1472.
121. Rabier, J. and Puls, M.P. (1989) On the core structures of edge dislocations in NaCl and MgO. Consequences for the core configurations of dislocation dipoles. Philosophical Magazine A, 59, 821-842.
122. Rabier, J., Soullard, J. and Puls, M.P. (1990) Atomic calculations of point-defect interactions with an edge dislocation in NiO. Philosophical Magazine A, 61, 99-108.
123. Rao, S.I., Hernandez, C., Simmons, J.P., Parthasarathy, T.A. and Woodward, C. (1998) Green's function boundary conditions in two-dimensional and threedimensional atomistic simulations of dislocations. Philosophical Magazine A, 77, 231-256.
124. Rao, S.I., Parthasarathy, T.A. and Woodward, C. (1999) Atomistic simulation of cross-slip processes in model fcc structures. Philosophical Magazine A, 79, 1167-1192.
125. Raterron, P., Chen, J., Li., L., Weidner, D. and Cordier, P. (2007) Pressure-induced slip-system transition in forsterite: Single-crystal rheological properties at mantle pressure and temperature. American Mineralogist, 92, 1436-1445.
126. Raterron, P., Amiguet, E., Chen, J., Li, L. and Cordier, P. (2009) Experimental deformation of olivine single crystals at mantle pressures and temperatures. Physics of the Earth and Planetary Interiors, 172, 74-83.
127. Reddy, S.M., Timms, N.E., Trimby, P., Kinny, P.D., Buchan, C. and Blake, K. (2006) Crystal-plastic deformation of zircon: A defect in the assumption of chemical robustness. Geology, 34, 257-260.
128. Russo, R.M. and Silver, P.G. (1994) Trench-parallel flow beneath the Nazca plate from seismic anisotropy. Science, 263, 1105-1111.
129. Sakaguchi, I., Yurimota, H. and Sueno, S. (1992) Selfdiffusion along dislocations in single-crystal MgO. Solid State Communications, 84, 889-893.
130. Saunders, V.R., Freyria-Fava, C., Dovesi, R. and Roetti, C. (1994) On the electrostatic potential in linear periodic polyme r s . Compu t e r Physics Communications, 84, 156-172.
131. Schoeck, G. (1996) Dislocation emission from crack tips as a variational problem of the crack energy. Journal of the Mechanics and Physics of Solids, 44, 413-437.
132. Schoeck, G. (1997) The core structure of <001> dislocations in bcc metals. Philosophical Magazine Letters, 76, 15-24.
133. Schoeck, G. (1999a) Peierls energy of dislocations: A critical assessment. Physical Review Letters, 82, 2310-2313.
134. Schoeck, G. (1999b) The Peierls energy revisited. Philosophical Magazine A, 79, 2629-2636.
135. Schoeck, G. (2005) The Peierls model: Progress and limitations. Materials Science and Engineering A, 400-401, 7-17.
136. Schoeck, G. and Krystian, M. (2005) The Peierls energy and kink energy in fcc metals. Philosophical Magazine, 85, 949-966
137. Seeger, A. (1981) The kink picture of dislocation mobility and dislocation-point-defect interactions. Journal de Physique, 42, 201-228.
138. Sharp, T.G., Bussod, G.Y.A. and Katsura, T. (1994) Microstructures in b-Mg1.8Fe0.2SiO4 experimentally deformed at transition-zone conditions. Physics of the Earth and Planetary Interiors, 86, 69-83.
139. Sinclair, J.E. (1971) Improved atomistic model of a bcc dislocation core. Journal of Applied Physics, 42, 5321-5329.
140. Sinclair, J.E., Gehlen, P.C., Hoagland, R.G. and Hirth, J.P. (1978) Flexible boundary conditions and nonlinear geometric effects in atomic dislocation modeling. Journal of Applied Physics, 49, 3890-3897.
141. Steeds, J.W., (1973) Introduction to Anisotropic Theory of Dislocations. Oxford University Press, Oxford, UK.
142. Steeds, J.W. and Willis, J.R. (1979) Dislocations in anisotropic media. Pp. 143-165 in: Dislocations in Solids, The Elastic Theory, 1 (F.N.R. Nabarro, editor). North-Holland Publishing Company, Amsterdam, The Netherlands.
143. Stroth, A.N. (1958) Dislocations and cracks in anisotropic elasticity. Philosophical Magazine, 3, 625-646.
144. Suarez-Martinez, I., Savini, G., Haffenden, G., Campanera, J.-M. and Heggie, M.I. (2007) Dislocations of Burgers vector c/2 in graphite. Physica Status Solidi (c), 4, 2958-2962.
145. Sun, Y. and Kaxiras, E. (1997) Slip energy barrier in aluminium and implications for ductile-brittle behaviour. Philosophical Magazine A, 75, 1117-1127.
146. Sunagawa, I. and Tsukamoto, K. (1972) Growth spirals on NaCl and KCl crystals grown from solution phase. Journal of Crystal Growth, 15, 73-78.
147. Taylor, G.I. (1934) The mechanism of plastic deformation of crystals. Part I -Theoretical. Proceedings of the Royal Society of London, 145, 362-387.
148. Thurel, E. and Cordier, P. (2003) Plastic deformation of wadsleyite: I. High-pressure deformation in compression. Physics and Chemistry of Minerals, 30, 256-266.
149. Thurel, E., Cordier, P., Frost, D. and Karato, S-I. (2003a) Plastic deformation of wadsleyite: II. Highpressure deformation in shear. Physics and Chemistry of Minerals, 30, 267-270.
150. Thurel, E., Douin, J. and Cordier, P. (2003b) Plastic deformation of wadsleyite: III. interpretation of dislocations and slip systems. Physics and Chemistry of Minerals, 30, 271-279.
151. Tsuchiya, T., Tsuchiya, J., Umemoto, K. and Wentzcovitch, R.M. (2004) Phase transition in MgSiO3-perovskite in the Earth's Lower Mantle. Earth and Planetary Science Letters, 224, 241-248.
152. Verma, A.K. and Karki, B.B. (2009) Ab initio investigation of native and protonic point defects in Mg2SiO4 polymorphs under high pressure. Earth and Planetary Science Letters, 285, 140-149.
153. Vítek, V. (1966) Thermally activated motion of screw dislocations in B.C.C. metals. physica status solidi (b), 18, 687-701.
154. Vítek, V. (1968) Intrinsic stacking faults in body-centred cubic crystals. Philosophical Magazine, 18, 773-786.
155. Vítek, V., Perrin, R.C. and Bowen, D.K. (1970) The core structure of (111) screw dislocations in b.c.c. crystals. Philosophical Magazine, 21, 1049-1073.
156. Volterra, V. (1907) Sur l'équilibre des corps élastiques multiplement connexes. Annales Scientifiques de l'Ecole Normale Supérieure, 24, 401-517.
157. Walker, A.M. (2010) Simulation of screw dislocations in wadsleyite. Physics and Chemistry of Minerals, 37, 301-310.
158. Walker, A.M., Wright, K. and Slater, B. (2003) A computational study of oxygen diffusion in olivine. Physics and Chemistry of Minerals, 30, 536-545.
159. Walker, A.M., Slater, B., Gale, J.D. and Wright, K. (2004) Predicting the structure of screw dislocations in nanoporous materials. Nature Materials, 3, 715-720.
160. Walker, A.M., Gale, J.D., Slater, B. and Wright, K. (2005a) Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. Physical Chemistry Chemical Physics, 7, 3227-3234.
161. Walker, A.M., Gale, J.D., Slater, B. and Wright, K. (2005b) Atomic scale modelling of the cores of dislocations in complex materials part 2: applications. Physical Chemistry Chemical Physics, 7, 3235-3242.
162. Walker, A.M., Hermann, J., Berry, A.J. and O'Neill, H.St.C. (2007) Three water sites in upper mantle olivine and the role of titanium in the water weakening mechanism. Journal of Geophysical Research, 112, art. no. B05211
163. Walker, A.M., Zhang, F., Wright, K. and Gale, J.D. (2009) Magnesium vacancy segregation and fast pipe diffusion for the 1/2<110>{110} edge dislocation in MgO. EOS Transactions of the AGU, 90, Fall meeting supplement, abstract MR23B-06.
164. Walte, N.P., Heidelbach, F., Miyajima, N., Frost, D.J., Rub i e , D.C. and Dobson , D.P. (2009) Transformation textures in post-perovskite: Understanding mantle flow in the D" layer of the Earth. Geophysical Research Letters, 36, L04302.
165. Wang, Y., Durham, W.B., Getting, I. and Weidner, D.J. (2003) The deformation-DIA: a new apparatus for high-temperature triaxial deformation to pressures up to 15 GPa. Review of Scientific Instruments, 74, 3002-11.
166. Watson, G.W., Kelsey, E.T., de Leeuw, N.H., Harris, D.J. and Parker, S.C. (1996) Atomistic simulation of dislocations, surfaces and interfaces in MgO. Journal of the Chemical Society, Faraday Transactions, 92, 433-438.
167. Watson, G.W., Kelsey, E.T. and Parker, S.C. (1999) Atomistic simulation of screw dislocations in rock salt structured materials. Philosophical Magazine A, 79, 527-536.
168. Watson, G.W., Oliver, P.M. and Parker, S.C. (2001) Atomistic simulation of crystal growth at the a<100> screw dislocation terminating at the {100} surface of MgO. Surface Science Letters, 474, L185-L190.
169. -1 summation. Journal of Chemical Physics, 110, 8254-8282.
170. Woo, C.H. and Puls, M.P. (1976) An improved method of calculating the lattice friction stress using an atomistic model. Journal of Physics C: Solid State Physics, 9, L27-L31.
171. Woo, C.H. and Puls, M.P. (1977a) Atomistic breathing shell model calculations of dislocation core configurations in ionic crystals. Philosophical Magazine, 35, 727-756.
172. Woo, C.H. and Puls, M.P. (1977b) The Peierls mechanism in MgO. Philosophical Magazine, 35, 1641-1652.
173. Woodward, C. (2005) First-principles simulations of dislocation cores. Materials Science and Engineering A, 400-401, 59-67.
174. Woodward, C. and Rao, S.I. (2002) Flexible ab initio boundary conditions: Simulating isolated dislocations in bcc Mo and Ta. Physical Research Letters, 88, art. num. 216402.
175. Woodward, C., Trinkle, D.R., Hector, L., G., Jr. and Olmsted, D.L. (2008) Prediction of dislocation cores in aluminium from density functional theory. Physical Review Letters, 100, art. num. 045507.
176. Wookey, J., Stackhouse, S., Kendall, J.M., Brodholt, J.P. and Price, G.D. (2005) Efficacy of the postperovskite phase as an explanation for lowermostmantle seismic properties. Nature, 438, 1004-1007.
177. Wright, K., Price, G.D. and Poirier, J.P. (1992) High temperature creep of the perovskites CaTiO3 and NaNbO3. Physics of the Earth and Planetary Interiors, 74, 9-22.
178. Xu, G. and Argon, A.S. (2001) Energetics of homogeneous nucleation of dislocation loops under a simple shear stress in perfect crystals. Materials Science and Engineering A, 319-321, 144-147.
179. Yamazaki, D. and Karato, S.-I. (2001) High-pressure rotational deformation apparatus to 15 GPa. Review of Scientific Instruments, 72, 4207-11.
180. Zhang, Z., Sigle, W. and Rühle, M. (2002a) Atomic and electronic characterization of the a[100] dislocation core in SrTiO3. Physical Review B, 66, art. num. 094108.
181. Zhang, Z., Sigle, W., Kurtz, W. and Rü hle, M. (2002b) Electronic and atomic structure of a dissociated dislocation in SrTiO3. Physical Review B, 66, art. num. 214112.