메뉴 건너뛰기




Volumn 90, Issue 7, 2005, Pages 1072-1077

Influence of crystal chemistry on ideal plastic shear anisotropy in forsterite: First principle calculations

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; OLIVINE; TEMPERATURE;

EID: 22944487976     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2005.1738     Document Type: Article
Times cited : (40)

References (40)
  • 1
    • 0031413227 scopus 로고    scopus 로고
    • 4) and implications for diffusion and creep
    • 4) and implications for diffusion and creep. American Mineralogist, 82, 1049-1053.
    • (1997) American Mineralogist , vol.82 , pp. 1049-1053
    • Brodholt, J.1
  • 2
    • 0029752750 scopus 로고    scopus 로고
    • An ab initio study of the compressional behavior of forsterite
    • Brodholt, J., Patel, A., and Refson, K. (1996) An ab initio study of the compressional behavior of forsterite. American Mineralogist, 81, 257-260.
    • (1996) American Mineralogist , vol.81 , pp. 257-260
    • Brodholt, J.1    Patel, A.2    Refson, K.3
  • 4
    • 0019656909 scopus 로고
    • High-temperature creep of forsterite single crystals
    • Darot, M. and Gueguen, Y. (1981) High-temperature creep of forsterite single crystals. Journal of Geophysical Research, 86(B7), 6219-6234.
    • (1981) Journal of Geophysical Research , vol.86 , Issue.B7 , pp. 6219-6234
    • Darot, M.1    Gueguen, Y.2
  • 6
    • 33444473856 scopus 로고
    • Plastic flow of single crystals of olivine
    • Ph.D. thesis, M.I.T., Cambridge
    • Durham, W.B. (1975) Plastic flow of single crystals of olivine. Ph.D. thesis, M.I.T., Cambridge.
    • (1975)
    • Durham, W.B.1
  • 7
    • 0000675770 scopus 로고
    • Plastic flow of oriented single crystals of olivine. 1. Mechanical Data
    • Durham, W.B. and Goetze, C. (1977) Plastic flow of oriented single crystals of olivine. 1. Mechanical Data. Journal of Geophysical Research, 82, 5737-5753.
    • (1977) Journal of Geophysical Research , vol.82 , pp. 5737-5753
    • Durham, W.B.1    Goetze, C.2
  • 8
    • 0000675771 scopus 로고
    • Plastic flow of oriented single crystals of olivine. 2. Observations and interpretations of the dislocation structures
    • Durham, W.B., Goetze, C., and Blake, B. (1977) Plastic flow of oriented single crystals of olivine. 2. Observations and interpretations of the dislocation structures. Journal of Geophysical Research, 82, 5755-5770.
    • (1977) Journal of Geophysical Research , vol.82 , pp. 5755-5770
    • Durham, W.B.1    Goetze, C.2    Blake, B.3
  • 11
    • 0000069436 scopus 로고
    • X-ray determination of electron distributions in forsterite, fayalite, and tephroite
    • Fujino, K., Sasaki, S., Takeuchi, Y., and Sadanaga, R. (1981) X-ray determination of electron distributions in forsterite, fayalite, and tephroite. Acta Crystallographica, B37, 513-518.
    • (1981) Acta Crystallographica , vol.B37 , pp. 513-518
    • Fujino, K.1    Sasaki, S.2    Takeuchi, Y.3    Sadanaga, R.4
  • 12
    • 0000643466 scopus 로고
    • Elastic constants of single crystals forsterite as a function of temperature and pressure
    • Graham, E.K. and Barsch, G.R. (1969) Elastic constants of single crystals forsterite as a function of temperature and pressure. Journal of Geophysical Research, 74, 5949-5960.
    • (1969) Journal of Geophysical Research , vol.74 , pp. 5949-5960
    • Graham, E.K.1    Barsch, G.R.2
  • 13
    • 0010273799 scopus 로고
    • Les dislocations dans la forsterite déformée à haute température
    • Gueguen, Y. and Darot, M. (1982) Les dislocations dans la forsterite déformée à haute température. Philosophical Magazine A, 45, 419-442.
    • (1982) Philosophical Magazine A , vol.45 , pp. 419-442
    • Gueguen, Y.1    Darot, M.2
  • 14
    • 0000407141 scopus 로고    scopus 로고
    • Peierls barrier and stresses for edge dislocations in Pd and Al calculated from first principles
    • Hartford, J., von Sydow, B., Walmström, 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.
    • (1998) Physical Review B , vol.58 , pp. 2487-2496
    • Hartford, J.1    von Sydow, B.2    Walmström, G.3    Lundqvist, B.I.4
  • 15
    • 0012346892 scopus 로고
    • The elastic constants of crystals and other anisotropic materials
    • K.H. Hellwege and A.M. Hellwege, Eds., Springer Verlag, Berlin
    • Hearmon, R.F.S. (1979) The elastic constants of crystals and other anisotropic materials. In K.H. Hellwege and A.M. Hellwege, Eds., Landolt-Börnstein Tables, III, p. 1-244. Springer Verlag, Berlin.
    • (1979) Landolt-Börnstein Tables, III , pp. 1-244
    • Hearmon, R.F.S.1
  • 16
    • 0035666470 scopus 로고    scopus 로고
    • Structure and elasticity of wadsleyite at high pressures
    • Kiefer, B., Stixrude, L., Hafner, J., and Kresse, G. (2001) Structure and elasticity of wadsleyite at high pressures. Americal Mineralogist, 86, 1387-1395.
    • (2001) Americal Mineralogist , vol.86 , pp. 1387-1395
    • Kiefer, B.1    Stixrude, L.2    Hafner, J.3    Kresse, G.4
  • 17
    • 0037437825 scopus 로고    scopus 로고
    • Ab initio calculation of the ideal tensile and shear strength of cubic silicon nitride
    • Kocer, C., Hirosaki, N., and Ogata, S. (2003) Ab initio calculation of the ideal tensile and shear strength of cubic silicon nitride. Physical Review B, 67, 035210-035214.
    • (2003) Physical Review B , vol.67 , pp. 035210-035214
    • Kocer, C.1    Hirosaki, N.2    Ogata, S.3
  • 18
    • 0000598407 scopus 로고
    • Low-stress high-temperature creep in olivine single crystals
    • Kohlstedt, D.L. and Goetze, C. (1974) Low-stress high-temperature creep in olivine single crystals. Journal of Geophysical Research, 79, 2045-2051.
    • (1974) Journal of Geophysical Research , vol.79 , pp. 2045-2051
    • Kohlstedt, D.L.1    Goetze, C.2
  • 20
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G. and Furthmüller, J. (1996a) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6, 15-50.
    • (1996) Computational Materials Science , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 21
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G. and Furthmüller, J. (1996b) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Physical Review B, 54, 11169.
    • (1996) Physical Review B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 22
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics for liquid metals
    • Kresse, G. and Hafner, J. (1993) Ab initio molecular dynamics for liquid metals. Physical Review B, 47, 558.
    • (1993) Physical Review B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 23
    • 27744460065 scopus 로고
    • Ab initio molecular dynamics simulation of the liquid-metal amorphous-semiconductor transition in germanium
    • Kresse, G. and Hafner, J. (1994a) Ab initio molecular dynamics simulation of the liquid-metal amorphous-semiconductor transition in germanium. Physical Review B, 49, 14251.
    • (1994) Physical Review B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 24
    • 0028763270 scopus 로고
    • Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
    • Kresse, G. and Hafner, J. (1994b) Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements. Journal of Physics Condensed Matter, 6, 8245.
    • (1994) Journal of Physics Condensed Matter , vol.6 , pp. 8245
    • Kresse, G.1    Hafner, J.2
  • 25
    • 0000643467 scopus 로고
    • Elastic moduli, pressure derivatives and temperature derivatives of single crystal olivine and single crystal forsterite
    • Kumazawa, M. and Anderson, O.L. (1969) Elastic moduli, pressure derivatives and temperature derivatives of single crystal olivine and single crystal forsterite. Journal of Geophysical Research, 74, 5961-5972.
    • (1969) Journal of Geophysical Research , vol.74 , pp. 5961-5972
    • Kumazawa, M.1    Anderson, O.L.2
  • 26
    • 0000478274 scopus 로고    scopus 로고
    • First-principles total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl
    • Medvedeva, N.I., Mryasov, O.N., Gornostyrev, Y.N., Novikov, D.L., and Freeman, A.J. (1996) First-principles total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl. Physical Review B, 54, 13506-13514.
    • (1996) Physical Review B , vol.54 , pp. 13506-13514
    • Medvedeva, N.I.1    Mryasov, O.N.2    Gornostyrev, Y.N.3    Novikov, D.L.4    Freeman, A.J.5
  • 27
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst, H.J. and Pack, J.D. (1976) Special points for Brillouin-zone integrations. Physical Review B, 23, 5048-5192.
    • (1976) Physical Review B , vol.23 , pp. 5048-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 28
    • 0037174668 scopus 로고    scopus 로고
    • Ideal pure shear strength of aluminum and copper
    • Ogata, S., Li, J., and Yip, S. (2002) Ideal pure shear strength of aluminum and copper. Science, 298, 807-811.
    • (2002) Science , vol.298 , pp. 807-811
    • Ogata, S.1    Li, J.2    Yip, S.3
  • 29
    • 0542416514 scopus 로고
    • A quantum mechanical calculation of the theoretical strength of metals
    • Paxton, A.T., Gumbsch, P, and Methfessel, M. (1991) A quantum mechanical calculation of the theoretical strength of metals. Philosophical Magazine Letters, 63, 267-274.
    • (1991) Philosophical Magazine Letters , vol.63 , pp. 267-274
    • Paxton, A.T.1    Gumbsch, P.2    Methfessel, M.3
  • 30
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • Perdew, J.P. and Wang, Y. (1992) Accurate and simple analytic representation of the electron-gas correlation energy. Physical Review B, 45, 13244-13249.
    • (1992) Physical Review B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2
  • 31
    • 0001465225 scopus 로고    scopus 로고
    • Simulations of the atomic structure, energetics, and cross slip of screw dislocations in copper
    • Rasmussen, T., Jacobsen, K.W., Leffers, T., and Pedersen, O.B. (1997) Simulations of the atomic structure, energetics, and cross slip of screw dislocations in copper. Physical Review B Condensed Matter, 56(6), 2977-2990.
    • (1997) Physical Review B Condensed Matter , vol.56 , Issue.6 , pp. 2977-2990
    • Rasmussen, T.1    Jacobsen, K.W.2    Leffers, T.3    Pedersen, O.B.4
  • 33
    • 0038608532 scopus 로고    scopus 로고
    • First-principles theory of Ta up to 10 Mbar pressure: Structural and mechanical properties
    • Söderlind, P. and Moriarty, J.A. (1998) First-principles theory of Ta up to 10 Mbar pressure: Structural and mechanical properties. Physical Review B, 57, 10340-10350.
    • (1998) Physical Review B , vol.57 , pp. 10340-10350
    • Söderlind, P.1    Moriarty, J.A.2
  • 34
    • 0031113803 scopus 로고    scopus 로고
    • Slip energy barrier in aluminum and implications for ductile-brittle behaviour
    • Sun, Y. and Kaxiras, E. (1997) Slip energy barrier in aluminum and implications for ductile-brittle behaviour. Philosophical Magazine A, 75, 1117-1127.
    • (1997) Philosophical Magazine A , vol.75 , pp. 1117-1127
    • Sun, Y.1    Kaxiras, E.2
  • 35
    • 0042130345 scopus 로고    scopus 로고
    • Plastic deformation of wadsleyite: III. Interpretation of dislocations and slip systems
    • Thurel, E., Douin, J., and Cordier, P. (2003) Plastic deformation of wadsleyite: III. Interpretation of dislocations and slip systems. Physics and Chemistry of Minerals, 30, 271-279.
    • (2003) Physics and Chemistry of Minerals , vol.30 , pp. 271-279
    • Thurel, E.1    Douin, J.2    Cordier, P.3
  • 36
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • Vanderbilt, D. (1990) Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Physical Review B, 41, 7892-7895.
    • (1990) Physical Review B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 37
    • 0015992269 scopus 로고
    • Theory of the core structures of dislocations in body-centered-cubic metals
    • Vítek, V. (1974) Theory of the core structures of dislocations in body-centered-cubic metals. Crystal Lattice Defects, 5, 1-34.
    • (1974) Crystal Lattice Defects , vol.5 , pp. 1-34
    • Vítek, V.1
  • 38
    • 0007187248 scopus 로고    scopus 로고
    • Crystal chemistry of forsterite: A first-principles study
    • Wentzcovitch, R.M. and Stixrude, L. (1997) Crystal chemistry of forsterite: a first-principles study. American Mineralogist, 82, 663-671.
    • (1997) American Mineralogist , vol.82 , pp. 663-671
    • Wentzcovitch, R.M.1    Stixrude, L.2
  • 39
    • 2842520225 scopus 로고    scopus 로고
    • Atomistic simulation of ideal shear strength, point defects, and screw dislocations in bcc transition metals: Mo as a prototype
    • Xu, W. and Moriarty, J.A. (1996) Atomistic simulation of ideal shear strength, point defects, and screw dislocations in bcc transition metals: Mo as a prototype. Physical Review B, 54, 6941-6951.
    • (1996) Physical Review B , vol.54 , pp. 6941-6951
    • Xu, W.1    Moriarty, J.A.2
  • 40
    • 0035980531 scopus 로고    scopus 로고
    • Mechanistic aspects and atomic-level consequences of elastic instabilities in homogeneous crystals
    • Yip, S., Li, J., Tang, M., and Wang, J. (2001) Mechanistic aspects and atomic-level consequences of elastic instabilities in homogeneous crystals. Materials Science Engineering, A317, 236-240.
    • (2001) Materials Science Engineering , vol.A317 , pp. 236-240
    • Yip, S.1    Li, J.2    Tang, M.3    Wang, J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.