메뉴 건너뛰기




Volumn 37, Issue 5, 2010, Pages 301-310

Simulation of screw dislocations in wadsleyite

Author keywords

Atomic scale modeling; Deformation; Dislocation energy; Screw dislocations; Wadsleyite

Indexed keywords

2D STRUCTURES; 3D STRUCTURE; ATOMIC SCALE MODELING; ATOMISTIC METHODS; CLUSTER-BASED; CORE ENERGY; CORE RADIUS; DISLOCATION ENERGY; DISLOCATION LINES; ELASTIC DISPLACEMENTS; HIGH MOBILITY; INTERATOMIC POTENTIAL MODELS; PARAMETERIZED; RADIAL COMPONENT; WADSLEYITE;

EID: 77951766413     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-009-0334-y     Document Type: Article
Times cited : (10)

References (61)
  • 1
    • 0002087683 scopus 로고
    • Mineral physics and crystallography, a handbook of physical constants
    • AGU, Washington
    • Ahrens TJ (1995) Mineral physics and crystallography, a handbook of physical constants. AGU Reference Shelf, vol 2. AGU, Washington.
    • (1995) AGU Reference Shelf , vol.2
    • Ahrens, T.J.1
  • 4
    • 34347272299 scopus 로고    scopus 로고
    • 3 post-perovskite calculated at 120 GPa from first principles
    • 3 post-perovskite calculated at 120 GPa from first principles. Philos Mag 87: 3229-3247.
    • (2007) Philos Mag , vol.87 , pp. 3229-3247
    • Carrez, P.1    Ferré, D.2    Cordier, D.3
  • 6
    • 0032004414 scopus 로고    scopus 로고
    • Strength and water weakening of mantle minerals, olivine, wadsleyite and ringwoodite
    • Chen J, Inoue T, Weidner DJ, Wu Y, Vaughan MT (1998) Strength and water weakening of mantle minerals, olivine, wadsleyite and ringwoodite. Geophys Res Lett 25: 575-578.
    • (1998) Geophys Res Lett , vol.25 , pp. 575-578
    • Chen, J.1    Inoue, T.2    Weidner, D.J.3    Wu, Y.4    Vaughan, M.T.5
  • 7
    • 70449555540 scopus 로고    scopus 로고
    • Elastic energy of a straight dislocation and contribution from core tractions
    • Clouet E (2009) Elastic energy of a straight dislocation and contribution from core tractions. Philos Mag 89: 1565-1584.
    • (2009) Philos Mag , vol.89 , pp. 1565-1584
    • Clouet, E.1
  • 8
    • 61349097307 scopus 로고    scopus 로고
    • Dislocation core energies and core fields from first principles
    • Art. no. 055502
    • Clouet E, Ventelon L, Willaime F (2009) Dislocation core energies and core fields from first principles. Phys Rev Lett 102, Art. no. 055502.
    • (2009) Phys Rev Lett 102
    • Clouet, E.1    Ventelon, L.2    Willaime, F.3
  • 9
    • 0033794352 scopus 로고    scopus 로고
    • Proton-containing defects at forsterite {010} tilt grain boundaries and stepped surfaces
    • de Leeuw NH, Parker SC, Catlow CRA, Price GD (2000) Proton-containing defects at forsterite {010} tilt grain boundaries and stepped surfaces. Am Mineral 85: 1143-1154.
    • (2000) Am Mineral , vol.85 , pp. 1143-1154
    • de Leeuw, N.H.1    Parker, S.C.2    Catlow, C.R.A.3    Price, G.D.4
  • 10
    • 0028582641 scopus 로고
    • Analytical electron microscopy of a synthetic peridotite experimentally deformed in the β olivine stability field
    • Dupas C, Doukhan N, Doukhan JC, Green HW, Young TE (1994) Analytical electron microscopy of a synthetic peridotite experimentally deformed in the β olivine stability field. J Geophys Res 99: 15821-15832.
    • (1994) J Geophys Res , vol.99 , pp. 15821-15832
    • Dupas, C.1    Doukhan, N.2    Doukhan, J.C.3    Green, H.W.4    Young, T.E.5
  • 12
    • 22944487976 scopus 로고    scopus 로고
    • Influence of crystal chemistry on ideal plastic shear anisotropy in forsterite: First principle calculations
    • Durinck J, Legris A, Cordier P (2005a) Influence of crystal chemistry on ideal plastic shear anisotropy in forsterite: first principle calculations. Am Mineral 90: 1072-1077.
    • (2005) Am Mineral , vol.90 , pp. 1072-1077
    • Durinck, J.1    Legris, A.2    Cordier, P.3
  • 13
    • 29544441674 scopus 로고    scopus 로고
    • Pressure sensitivity of olivine slip systems: First-principle calculations of generalised stacking faults
    • Durinck J, Legris A, Cordier P (2005b) Pressure sensitivity of olivine slip systems: first-principle calculations of generalised stacking faults. Phys Chem Miner 32: 646-654.
    • (2005) Phys Chem Miner , vol.32 , pp. 646-654
    • Durinck, J.1    Legris, A.2    Cordier, P.3
  • 14
    • 38549100189 scopus 로고    scopus 로고
    • Application of the Peierls-Nabarro model to dislocations in forsterite
    • Durinck J, Carrez P, Cordier P (2007) Application of the Peierls-Nabarro model to dislocations in forsterite. Eur J Mineral 19: 631-639.
    • (2007) Eur J Mineral , vol.19 , pp. 631-639
    • Durinck, J.1    Carrez, P.2    Cordier, P.3
  • 15
    • 33745299454 scopus 로고    scopus 로고
    • Is the Ewald summation still necessary?
    • Art. no. 23404
    • Fennell CJ, Gezelter JD (2006) Is the Ewald summation still necessary? J Chem Phys 124, Art. no. 23404.
    • (2006) J Chem Phys 124
    • Fennell, C.J.1    Gezelter, J.D.2
  • 18
    • 67650462686 scopus 로고    scopus 로고
    • Dislocation modeling in calcium silicate perovskite based on the Peierls-Nabarro model
    • Ferré D, Carrez P, Cordier P (2009a) Dislocation modeling in calcium silicate perovskite based on the Peierls-Nabarro model. Am Mineral 94: 135-142.
    • (2009) Am Mineral , vol.94 , pp. 135-142
    • Ferré, D.1    Carrez, P.2    Cordier, P.3
  • 20
    • 8744274081 scopus 로고    scopus 로고
    • Empirical potential derivation for ionic materials
    • Gale JD (1996) Empirical potential derivation for ionic materials. Philos Mag B 73: 3-19.
    • (1996) Philos Mag B , vol.73 , pp. 3-19
    • Gale, J.D.1
  • 21
    • 33748616559 scopus 로고    scopus 로고
    • GULP: A computer program for the symmetry-adapted simulation of solids
    • Gale JD (1997) GULP: a computer program for the symmetry-adapted simulation of solids. J Chem Soc Faraday Trans 93: 629-637.
    • (1997) J Chem Soc Faraday Trans , vol.93 , pp. 629-637
    • Gale, J.D.1
  • 22
    • 0242341371 scopus 로고    scopus 로고
    • The general utility lattice program (GULP)
    • Gale JD, Rohl AL (2003) The general utility lattice program (GULP). Mol Simul 29: 291-341.
    • (2003) Mol Simul , vol.29 , pp. 291-341
    • Gale, J.D.1    Rohl, A.L.2
  • 25
    • 7444222281 scopus 로고    scopus 로고
    • Displacement and strain fields around a [100] dislocation in olivine measured to sub-angstrom accuracy
    • Johnson CL, Hÿtch MJ, Buseck PR (2004) Displacement and strain fields around a [100] dislocation in olivine measured to sub-angstrom accuracy. Am Mineral 89: 1374-1379.
    • (2004) Am Mineral , vol.89 , pp. 1374-1379
    • Johnson, C.L.1    Hÿtch, M.J.2    Buseck, P.R.3
  • 26
    • 0025664943 scopus 로고
    • Defect microdynamics in minerals and solid state mechanisms of seismic wave attenuation and velocity dispersion in the mantle
    • Karato S-I, Spetzler HA (1990) Defect microdynamics in minerals and solid state mechanisms of seismic wave attenuation and velocity dispersion in the mantle. Rev Geophys 28: 399-421.
    • (1990) Rev Geophys , vol.28 , pp. 399-421
    • Karato, S.-I.1    Spetzler, H.A.2
  • 27
    • 0029664034 scopus 로고    scopus 로고
    • Intracrystalline transformation of olivine to wadsleyite and ringwoodite under subduction zone conditions
    • Kerschhofer L, Sharp TG, Rubie DC (1996) Intracrystalline transformation of olivine to wadsleyite and ringwoodite under subduction zone conditions. Science 274: 79-81.
    • (1996) Science , vol.274 , pp. 79-81
    • Kerschhofer, L.1    Sharp, T.G.2    Rubie, D.C.3
  • 28
    • 0032461119 scopus 로고    scopus 로고
    • Polymorphic transformations between olivine to wadsleyite and ringwoodite: Mechanisms of intracrystalline nucleation and the role of elastic strain
    • Kerschhofer L, Dupas C, Liu M, Sharp TG, Durham WB, Rubie DC (1998) Polymorphic transformations between olivine to wadsleyite and ringwoodite: mechanisms of intracrystalline nucleation and the role of elastic strain. Mineral Mag 62: 617-638.
    • (1998) Mineral Mag , vol.62 , pp. 617-638
    • Kerschhofer, L.1    Dupas, C.2    Liu, M.3    Sharp, T.G.4    Durham, W.B.5    Rubie, D.C.6
  • 29
    • 0000643467 scopus 로고
    • Elastic moduli, pressure derivatives, and temperature derivatives of single-crystal olivine and single-crystal forsterite
    • Kumazawa M, Anderson OL (1969) Elastic moduli, pressure derivatives, and temperature derivatives of single-crystal olivine and single-crystal forsterite. J Geophys Res 74: 5961-5972.
    • (1969) J Geophys Res , vol.74 , pp. 5961-5972
    • Kumazawa, M.1    Anderson, O.L.2
  • 31
    • 0020863494 scopus 로고
    • 4 in shocked meteorites planar defects and polymorphic transitions
    • 4 in shocked meteorites planar defects and polymorphic transitions. Phys Earth Planet Interiors 33: 31-44.
    • (1983) Phys Earth Planet Interiors , vol.33 , pp. 31-44
    • Madon, M.1    Poirier, J.P.2
  • 32
    • 0029729262 scopus 로고    scopus 로고
    • How to reconcile body-wave and normal-mode reference earth models
    • Montagner JP, Kennett BLN (1996) How to reconcile body-wave and normal-mode reference earth models. Geophys J Int 125: 229-248.
    • (1996) Geophys J Int , vol.125 , pp. 229-248
    • Montagner, J.P.1    Kennett, B.L.N.2
  • 34
    • 30744451865 scopus 로고
    • Dislocations in a simple cubic lattice
    • Nabarro FRN (1947) Dislocations in a simple cubic lattice. Proc Phys Soc Lond 59: 256-272.
    • (1947) Proc Phys Soc Lond , vol.59 , pp. 256-272
    • Nabarro, F.R.N.1
  • 35
    • 54049128159 scopus 로고    scopus 로고
    • Plastic deformation of wadsleyite and olivine at high-pressure and high-temperature using a rotational Drickamer apparatus (RDA)
    • Nishihara Y, Tinker D, Kawazoe T, Xu Y, Jing Z, Matsukage KN, Karato S-I (2008) Plastic deformation of wadsleyite and olivine at high-pressure and high-temperature using a rotational Drickamer apparatus (RDA). Phys Earth Planet Interiors 170: 156-169.
    • (2008) Phys Earth Planet Interiors , vol.170 , pp. 156-169
    • Nishihara, Y.1    Tinker, D.2    Kawazoe, T.3    Xu, Y.4    Jing, Z.5    Matsukage, K.N.6    Karato, S.-I.7
  • 36
    • 0000435162 scopus 로고
    • Updating quasi-Newton matrices with limited storage
    • Nocedal J (1980) Updating quasi-Newton matrices with limited storage. Math Comput 25: 773-782.
    • (1980) Math Comput , vol.25 , pp. 773-782
    • Nocedal, J.1
  • 37
    • 0002067455 scopus 로고
    • On the size of a dislocation
    • Peierls RE (1940) On the size of a dislocation. Proc Phys Soc Lond 52: 34-37.
    • (1940) Proc Phys Soc Lond , vol.52 , pp. 34-37
    • Peierls, R.E.1
  • 40
    • 0031404818 scopus 로고    scopus 로고
    • Calculated energies of heterovalent cations in forsterite and diopside: Implications for trace element partitioning
    • Purton JA, Allan NL, Blundy JD (1997) Calculated energies of heterovalent cations in forsterite and diopside: implications for trace element partitioning. Geochimica et Cosmochimica Acta 61: 3927-3936.
    • (1997) Geochimica Et Cosmochimica Acta , vol.61 , pp. 3927-3936
    • Purton, J.A.1    Allan, N.L.2    Blundy, J.D.3
  • 42
    • 0021638881 scopus 로고
    • Single-crystal elastic properties of the modified spinel (beta) phase of magnesium orthosilicate
    • Sawamoto H, Weidner DJ, Sasaki S, Kumazawa M (1984) Single-crystal elastic properties of the modified spinel (beta) phase of magnesium orthosilicate. Science 224: 749-751.
    • (1984) Science , vol.224 , pp. 749-751
    • Sawamoto, H.1    Weidner, D.J.2    Sasaki, S.3    Kumazawa, M.4
  • 43
    • 21744448493 scopus 로고    scopus 로고
    • The Peierls model: Progress and limitations
    • Schoeck G (2005) The Peierls model: progress and limitations. Mat Sci Eng A 400-401: 7-17.
    • (2005) Mater Sci Eng A , vol.400-401 , pp. 7-17
    • Schoeck, G.1
  • 46
    • 0042631361 scopus 로고    scopus 로고
    • Plastic deformation of wadsleyite: I. High pressure deformation in compression
    • Thurel E, Cordier P (2003) Plastic deformation of wadsleyite: I. High pressure deformation in compression. Phys Chem Miner 30: 256-266.
    • (2003) Phys Chem Miner , vol.30 , pp. 256-266
    • Thurel, E.1    Cordier, P.2
  • 47
    • 0043132261 scopus 로고    scopus 로고
    • Plastic deformation of wadsleyite: II. High pressure deformation in shear
    • Thurel E, Cordier P, Frost D, Karato S-I (2003a) Plastic deformation of wadsleyite: II. High pressure deformation in shear. Phys Chem Miner 30: 267-270.
    • (2003) Phys Chem Miner , vol.30 , pp. 267-270
    • Thurel, E.1    Cordier, P.2    Frost, D.3    Karato, S.-I.4
  • 48
    • 0042130345 scopus 로고    scopus 로고
    • Plastic deformation of wadsleyite: III. Interpretation of dislocations and slip systems
    • Thurel E, Douin J, Cordier P (2003b) Plastic deformation of wadsleyite: III. Interpretation of dislocations and slip systems. Phys Chem Miner 30: 271-279.
    • (2003) Phys Chem Miner , vol.30 , pp. 271-279
    • Thurel, E.1    Douin, J.2    Cordier, P.3
  • 49
    • 14244254281 scopus 로고    scopus 로고
    • Strain-induced seismic anisotropy of wadsleyite polycrystals and flow patterns in the mantle transition zone
    • Art. no. B12405
    • Tommasi A, Mainprice D, Cordier P, Thoraval C, Couvy H (2004) Strain-induced seismic anisotropy of wadsleyite polycrystals and flow patterns in the mantle transition zone. J Geophys Res 109, Art. no. B12405.
    • (2004) J Geophys Res 109
    • Tommasi, A.1    Mainprice, D.2    Cordier, P.3    Thoraval, C.4    Couvy, H.5
  • 50
    • 0037123666 scopus 로고    scopus 로고
    • Global azimuthal anisotropy in the transition zone
    • Trampert J, van Heijst HJ (2002) Global azimuthal anisotropy in the transition zone. Science 29: 1297-1299.
    • (2002) Science , vol.29 , pp. 1297-1299
    • Trampert, J.1    van Heijst, H.J.2
  • 51
    • 84867833039 scopus 로고
    • The core structure of 1/2〈111〉 screw dislocations in b.c.c. crystals
    • Vitek V, Perrin R, Bowen D (1970) The core structure of 1/2〈111〉 screw dislocations in b. c. c. crystals. Philos Mag A 21: 1049-1073.
    • (1970) Philos Mag A , vol.21 , pp. 1049-1073
    • Vitek, V.1    Perrin, R.2    Bowen, D.3
  • 52
    • 0345375427 scopus 로고    scopus 로고
    • A computational study of oxygen diffusion in olivine
    • Walker AM, Wright K, Slater B (2003) A computational study of oxygen diffusion in olivine. Phys Chem Miner 30: 536-545.
    • (2003) Phys Chem Miner , vol.30 , pp. 536-545
    • Walker, A.M.1    Wright, K.2    Slater, B.3
  • 53
    • 5444262760 scopus 로고    scopus 로고
    • Predicting the structure of screw dislocations in nanoporous materials
    • Walker AM, Slater B, Gale JD, Wright K (2004) Predicting the structure of screw dislocations in nanoporous materials. Nat Mater 3: 715-720.
    • (2004) Nat Mater , vol.3 , pp. 715-720
    • Walker, A.M.1    Slater, B.2    Gale, J.D.3    Wright, K.4
  • 54
    • 25444433573 scopus 로고    scopus 로고
    • Atomic scale modelling of the cores of dislocations in complex materials part 1: Methodology
    • Walker AM, Gale JD, Slater B, Wright K (2005a) Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. Phys Chem Chem Phys 7: 3227-3234.
    • (2005) Phys Chem Chem Phys , vol.7 , pp. 3227-3234
    • Walker, A.M.1    Gale, J.D.2    Slater, B.3    Wright, K.4
  • 55
    • 25444499689 scopus 로고    scopus 로고
    • Atomic scale modelling of the cores of dislocations in complex materials part 2: Applications
    • Walker AM, Gale JD, Slater B, Wright K (2005b) Atomic scale modelling of the cores of dislocations in complex materials part 2: applications. Phys Chem Chem Phys 7: 3235-3242.
    • (2005) Phys Chem Chem Phys , vol.7 , pp. 3235-3242
    • Walker, A.M.1    Gale, J.D.2    Slater, B.3    Wright, K.4
  • 57
  • 59
    • 0038849912 scopus 로고    scopus 로고
    • Atomistic simulation of screw dislocations in rock salt structured materials
    • Watson GW, Kelsey ET, Parker SC (1999) Atomistic simulation of screw dislocations in rock salt structured materials. Philos Mag A 79: 527-536.
    • (1999) Philos Mag A , vol.79 , pp. 527-536
    • Watson, G.W.1    Kelsey, E.T.2    Parker, S.C.3
  • 61
    • 0034610284 scopus 로고    scopus 로고
    • Elasticity of MgO and a primary pressure scale to 55 GPa
    • Zha C, Mao H, Hemley RJ (1997) Elasticity of MgO and a primary pressure scale to 55 GPa. Proc Natl Acad Sci 97: 13494-13499.
    • (1997) Proc Natl Acad Sci , vol.97 , pp. 13494-13499
    • Zha, C.1    Mao, H.2    Hemley, R.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.