Simulation of Segregation to Free Surfaces in Cubic Oxides
dc.contributor.author | Battaile, Corbett C. | en_US |
dc.contributor.author | Najafabadi, Reza | en_US |
dc.contributor.author | Srolovitz, David J. | en_US |
dc.date.accessioned | 2010-04-01T15:17:38Z | |
dc.date.available | 2010-04-01T15:17:38Z | |
dc.date.issued | 1995-12 | en_US |
dc.identifier.citation | Battaile, Corbett C.; Najafabadi, Reza; Srolovitz, David J. (1995). "Simulation of Segregation to Free Surfaces in Cubic Oxides." Journal of the American Ceramic Society 78(12): 3195-3200. <http://hdl.handle.net/2027.42/65766> | en_US |
dc.identifier.issn | 0002-7820 | en_US |
dc.identifier.issn | 1551-2916 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/65766 | |
dc.format.extent | 5137692 bytes | |
dc.format.extent | 3110 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.publisher | Blackwell Publishing Ltd | en_US |
dc.rights | 1995 by The American Ceramic Society, Inc. | en_US |
dc.title | Simulation of Segregation to Free Surfaces in Cubic Oxides | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/65766/1/j.1151-2916.1995.tb07954.x.pdf | |
dc.identifier.doi | 10.1111/j.1151-2916.1995.tb07954.x | en_US |
dc.identifier.source | Journal of the American Ceramic Society | en_US |
dc.identifier.citedreference | W. C. Johnson, “ Grain Boundary Segregation in Ceramics,” Metall. Trans. A, 8A, 1413 – 22 ( 1977 ). | en_US |
dc.identifier.citedreference | A. Roshko and W. D. Kingery, “ Segregation to Special Boundaries in MgO,” J. Am. Ceram. Soc., 68, C-331 – C-333 ( 1985 ). | en_US |
dc.identifier.citedreference | S. Baik and C. L. White, “ Anisotropic Calcium Segregation to the Surface of Al 2 O 3,“ J.Am. Ceram. Soc., 70, 682 – 88 ( 1987 ). | en_US |
dc.identifier.citedreference | P. W. Tasker, E. A. Colbourn, and W. C. Mackrodt, “ Segregation of Isovalent Impurity Cations at the Surface of MgO and CaO,” J. Am. Ceram. Soc., 68, 74 – 80 ( 1985 ). | en_US |
dc.identifier.citedreference | S. M. Foiles, “ Calculation of the Surface Segregation of Ni–Cu Alloys with the Use of the Embedded-Atom Method,” Phys. Rev. B, 32, 7685 – 93 ( 1985 ). | en_US |
dc.identifier.citedreference | W. C. Mackrodt and P. W. Tasker, “ Segregation Isotherms at the Surfaces of Oxides,” J. Am. Ceram. Soc., 72, 1576 – 83 ( 1989 ). | en_US |
dc.identifier.citedreference | S. M. Foiles, “ Calculation of Grain-Boundary Segregation in Ni-Cu Alloys,” Phys. Rev. B, 40, 11502 – 506 ( 1989 ). | en_US |
dc.identifier.citedreference | R. LeSar, R. Najafabadi, and D. J. Srolovitz, “ Finite-Temperature Defect Properties from Free-Energy Minimization,” Phys. Rev. Lett., 63, 624 – 27 ( 1989 ). | en_US |
dc.identifier.citedreference | A. P. Sutton, “ Temperature-Dependent Interatomic Forces,” Philos. Mag. A, 60, 147 – 59 ( 1989 ). | en_US |
dc.identifier.citedreference | R. Najafabadi, H. Y. Wang, D. J. Srolovitz, and R. LeSar, “ A New Method for the Simulation of Alloys: Application to Interfacial Segregation,” Acta Metall., 39, 3071 – 82 ( 1991 ). | en_US |
dc.identifier.citedreference | H. Y. Wang, R. Najafabadi, D. J. Srolovitz, and R. LeSar, “ Segregation to and Structure of [001] Twist Grain Boundaries in Cu-Ni Alloys,” Acta Metall., 41, 2533 – 46 ( 1993 ). | en_US |
dc.identifier.citedreference | L. Zhao, R. Najafabadi, and D. J. Srolovitz, “ Finite Temperature Vacancy Formation Thermodynamics: Local Harmonic and Quasi-Harmonic,” Model. Simul. Mater. Sri., 1, 539 – 51 ( 1993 ). | en_US |
dc.identifier.citedreference | C. Battaile, R. Najafabadi, and D. J. Srolovitz, “ Simulation of Segregation to Interfaces in Metal Oxides ”; pp. 435 – 40 in Materials Research Society Symposia Proceedings, Vol. 357, Structure and Properties of Interfaces in Ceramics. Edited by D. Bonnell, M. Riihle, and U. Chowdhry Materials Research Society, Pittsburgh, PA, 1995. | en_US |
dc.identifier.citedreference | E. A. Colbourn, W. C. Mackrodt, and P. W. Tasker, “ The Segregation of Calcium Ions at the Surface of Magnesium Oxide,” J. Mater. Sci., 18, 1917 – 24 ( 1983 ). | en_US |
dc.identifier.citedreference | W. C. Mackrodt, “ Atom Lattice Simulations of the Structure, Energetics, and Impurity Segregation Behaviour of Ceramic Boundaries,” Mater. Sci. Res., 21, 271 – 80 ( 1987 ). | en_US |
dc.identifier.citedreference | L. V. Woodcock and K. Singer, “ Thermodynamic and Structural Properties of Liquid Ionic Salts Obtained by Monte Carlo Computation,” Trans. Faraday Soc., 67, 12 – 30 ( 1970 ). | en_US |
dc.identifier.citedreference | M. J. Norgett, “ A Born Model Calculation of the Energies of Vacancies, Ion Interstitials, and Inert Gas Atoms in Calcium Flouride,” J. Phys. C, 4, 298 – 306 ( 1971 ). | en_US |
dc.identifier.citedreference | T. S. Chen, F. W. De Wette, and G. P. Alldredge, “ Studies of Vibrational Surface Modes in Ionic Crystals. I. Detailed Shell-Model Studies for the Unrelaxed (001) Face of Seven Crystals Having the Rocksalt Structure,” Phys. Rev. B, 15, 1167 – 86 ( 1977 ). | en_US |
dc.identifier.citedreference | N. Anastasiou and D. Fincham, “ Programs for the Dynamic Simulations of Liquids and Solids II. MDIONS: Rigid Ions Using the Ewald Sum,” Comput. Phys. Commun., 25, 159 – 76 ( 1982 ). | en_US |
dc.identifier.citedreference | C. R. A. Callow and W. C. Mackrodt ( Eds.), Computer Simulation of Solids. Springer-Verlag, Berlin, Federal Republic of Germany, 1982. | en_US |
dc.identifier.citedreference | A. Jockisch, U. Schroder, F. W. De Wette, and W. Kress, “ Relaxation and Dynamics of the (110) Surface of the Cesium Chloride Structure Crystals CsCl, CsBr, and Csl,” Surf. Sci., 297, 245 – 51 ( 1993 ). | en_US |
dc.identifier.citedreference | P. P. Ewald, “ Die Berechnung Optischer und Elektrostatischer Gitterpotentiale,' Ann Phys. (Leipzig ), 64, 253 – 87 ( 1921 ). | en_US |
dc.identifier.citedreference | D. C. Wallace, Thermodynamics of Crystals ; pp. 265 – 71. Wiley, Sydney, Australia, 1972. | en_US |
dc.identifier.citedreference | B. G. Dick and A. W. Overhauser, “ Theory of the Dielectric Constants of Alkali Halide Crystals,” Phys. Rev., 112, 90 – 103 ( 1958 ). | en_US |
dc.identifier.citedreference | P. A. Mulheran, “ Structural Calculations of Oxide Surfaces at Finite Temperature,” Philos. Mag. A, 68, 799 – 808 ( 1993 ). | en_US |
dc.identifier.citedreference | C. Battaile, R. Najafabadi, and D. J. Srolovitz ; unpublished results. | en_US |
dc.identifier.citedreference | S. Nambu and M. Oiji, “ A Microscopic Calculation of Thermal Properties of Ionic Solid Solutions ”; pp. 915 – 18 in Computer Aided Innovation of New Materials. Edited by M. Doyama et al. Elsevier, New York, 1991. | en_US |
dc.identifier.citedreference | M. J. L. Sangster and A. M. Stoneham, “ Calculations of Off-Centre Displacements of Divalent Substitutional Ions in CaO, SrO, and BaO from Model Potentials,” Philos. Mag. B, 43, 597 – 608 ( 1981 ). | en_US |
dc.identifier.citedreference | W. H. Press et al.,, Numerical Recipes in C: The Art of Scientific Computing, 2nd ed. ; pp. 420 – 25. Cambridge University Press, New York, 1992. | en_US |
dc.identifier.citedreference | W. D. Kingery, H. K. Bowen, and D. R. Uhlmann, Introduction to Ceramics, 2nd ed. p. 58. Wiley, New York, 1976. | en_US |
dc.identifier.citedreference | J. Friedel, “ Electronic Structure of Primary Solid Solutions in Metals,” Adv. Phys., 3, 446 – 507 ( 1954 ). | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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