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Volumn 27, Issue 2, 1999, Pages 133-137

Atomistic simulation of the effect of impurities on vacancy migration at the {4 1 0}/[0 0 1] tilt grain boundary of MgO

Author keywords

Diffusion; Grain boundary; Impurities; Pressure

Indexed keywords

CREEP; DIFFUSION; GRAIN BOUNDARY; HIGH PRESSURE; MAGNESIA; MANTLE CONVECTION;

EID: 0033510757     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002690050249     Document Type: Article
Times cited : (6)

References (38)
  • 2
    • 0019563019 scopus 로고
    • The self-diffusion of Ni in undoped and Al-doped NiO single-crystals
    • Atkinson A, Hughes AE, Hammou A (1981) The self-diffusion of Ni in undoped and Al-doped NiO single-crystals. Philos Mag A 43:1071-1091
    • (1981) Philos Mag A , vol.43 , pp. 1071-1091
    • Atkinson, A.1    Hughes, A.E.2    Hammou, A.3
  • 3
    • 0031778918 scopus 로고    scopus 로고
    • Melting of corundum using conventional and two-phase molecular dynamic simulation method
    • Belonoshko AB (1998) Melting of corundum using conventional and two-phase molecular dynamic simulation method. Phys Chem Mineral 25:138-141
    • (1998) Phys Chem Mineral , vol.25 , pp. 138-141
    • Belonoshko, A.B.1
  • 5
    • 0031351915 scopus 로고    scopus 로고
    • Dynamics of minerals: Implications for the studies of the Earth's interior
    • Choudhury N, Chaplot SL, Rao KR, Ghose S (1997) Dynamics of minerals: Implications for the studies of the Earth's interior. Ind J Pure Appl Phys 35:690-698
    • (1997) Ind J Pure Appl Phys , vol.35 , pp. 690-698
    • Choudhury, N.1    Chaplot, S.L.2    Rao, K.R.3    Ghose, S.4
  • 7
    • 0022900572 scopus 로고
    • Theoretical studies of diffusion processes down coincident tilt grain boundaries in NiO
    • Duffy DM, Tasker PW (1986) Theoretical studies of diffusion processes down coincident tilt grain boundaries in NiO. Philos Mag A 54:759-771
    • (1986) Philos Mag A , vol.54 , pp. 759-771
    • Duffy, D.M.1    Tasker, P.W.2
  • 11
    • 0001249918 scopus 로고    scopus 로고
    • Vacancy migration at the {4 1 0}/[0 0 1] symmetric tilt grain boundary of MgO: An atomistic simulation study
    • Harris DJ, Watson GW, Parker SC (1997) Vacancy migration at the {4 1 0}/[0 0 1] symmetric tilt grain boundary of MgO: an atomistic simulation study. Phys Rev B 56:11477-11484
    • (1997) Phys Rev B , vol.56 , pp. 11477-11484
    • Harris, D.J.1    Watson, G.W.2    Parker, S.C.3
  • 12
    • 12944313002 scopus 로고    scopus 로고
    • Computer simulation of the effect of pressure on diffusion at the MgO {4 1 0}/[0 0 1] Tilt Grain Boundary
    • in submission
    • Harris DJ, Watson GW, Parker SC (1998a) Computer simulation of the effect of pressure on diffusion at the MgO {4 1 0}/[0 0 1] Tilt Grain Boundary. J Phys Condensed Matter (in submission)
    • (1998) J Phys Condensed Matter
    • Harris, D.J.1    Watson, G.W.2    Parker, S.C.3
  • 13
    • 12944272322 scopus 로고    scopus 로고
    • Computer simulation of pressure induced structural transitions in MgO [0 0 1] tilt grain boundaries
    • in press
    • Harris DJ, Watson GW, Parker SC (1998b) Computer simulation of pressure induced structural transitions in MgO [0 0 1] tilt grain boundaries. Am Mineral (in press)
    • (1998) Am Mineral
    • Harris, D.J.1    Watson, G.W.2    Parker, S.C.3
  • 14
    • 0001538909 scopus 로고
    • Canonical dynamics - Equilibrium phase-space distributions
    • Hoover WG (1985) Canonical dynamics - equilibrium phase-space distributions. Phys Rev A 31:1695-1697
    • (1985) Phys Rev A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 15
    • 0001469174 scopus 로고    scopus 로고
    • Effects of pressure on diffusion and vacancy formation in MgO from non-empirical free-energy integrations
    • Ita J, Cohen RE (1997) Effects of pressure on diffusion and vacancy formation in MgO from non-empirical free-energy integrations. Phys Rev Lett 79:3198-3201
    • (1997) Phys Rev Lett , vol.79 , pp. 3198-3201
    • Ita, J.1    Cohen, R.E.2
  • 16
    • 0032051435 scopus 로고    scopus 로고
    • Diffusion in MgO at high pressure: Implications for mantle rheology
    • Ita J, Cohen RE (1998) Diffusion in MgO at high pressure: implications for mantle rheology. Geophys Res Lett 25:1095-1098
    • (1998) Geophys Res Lett , vol.25 , pp. 1095-1098
    • Ita, J.1    Cohen, R.E.2
  • 17
    • 0001677480 scopus 로고    scopus 로고
    • Grain boundary diffusion of cation vacancies in nickel oxide: A molecular dynamics study
    • Karakasidis T, Meyer M (1997) Grain boundary diffusion of cation vacancies in nickel oxide: a molecular dynamics study. Phys Rev B 55:13 852-13 864
    • (1997) Phys Rev B , vol.55 , pp. 13852-13864
    • Karakasidis, T.1    Meyer, M.2
  • 18
    • 33750800144 scopus 로고
    • Potential models for ionic oxides
    • Lewis GV, Catlow CRA (1985) Potential models for ionic oxides. J Phys C 18:1149-1161
    • (1985) J Phys C , vol.18 , pp. 1149-1161
    • Lewis, G.V.1    Catlow, C.R.A.2
  • 19
    • 0000918102 scopus 로고
    • Molecular dynamics study of the structural and thermodynamic properties of MgO crystal with quantum correction
    • Matsui M (1989) Molecular dynamics study of the structural and thermodynamic properties of MgO crystal with quantum correction. J Chem Phys 91:489-494
    • (1989) J Chem Phys , vol.91 , pp. 489-494
    • Matsui, M.1
  • 20
    • 0031425847 scopus 로고    scopus 로고
    • Computer modelling of a pressure induced phase chance in clinoenstatite pyroxenes
    • Mendelssohn MJ, Price GD (1997) Computer modelling of a pressure induced phase chance in clinoenstatite pyroxenes. Phys Chem Minerals 25:55-62
    • (1997) Phys Chem Minerals , vol.25 , pp. 55-62
    • Mendelssohn, M.J.1    Price, G.D.2
  • 21
    • 0029707354 scopus 로고    scopus 로고
    • High temperature diffusion in a NiO tilt grain boundary - A molecular dynamics study
    • Meyer M, Karakasidis T, Waldburger C (1996) High temperature diffusion in a NiO tilt grain boundary - a molecular dynamics study. Mater Sci Forum 207-209:525-528
    • (1996) Mater Sci Forum , vol.207-209 , pp. 525-528
    • Meyer, M.1    Karakasidis, T.2    Waldburger, C.3
  • 22
    • 0026254284 scopus 로고
    • The effect of pressure on Schottky pair formation in MgO: A lattice dynamical approach
    • Mills DR, Parker SC, Wall A (1991) The effect of pressure on Schottky pair formation in MgO: a lattice dynamical approach. Philos Mag A 64:1133-1144
    • (1991) Philos Mag A , vol.64 , pp. 1133-1144
    • Mills, D.R.1    Parker, S.C.2    Wall, A.3
  • 23
    • 0009435874 scopus 로고
    • Conduction in polar crystals, 1. Electrolytic conduction in solid salts
    • Mott NF, Littleton MJ (1938) Conduction in polar crystals, 1. Electrolytic conduction in solid salts. Trans Faraday Soc 34:485-499
    • (1938) Trans Faraday Soc , vol.34 , pp. 485-499
    • Mott, N.F.1    Littleton, M.J.2
  • 24
    • 34547809547 scopus 로고
    • A unified formulation of the constant temperature molecular dynamics methods
    • Nosé S (1984) A unified formulation of the constant temperature molecular dynamics methods. J Chem Phys 81:511-519
    • (1984) J Chem Phys , vol.81 , pp. 511-519
    • Nosé, S.1
  • 25
    • 0001082095 scopus 로고
    • Constant temperature molecular dynamics
    • Nosé S (1990) Constant temperature molecular dynamics. J Phys Conden Matter 2:SA115-SA119
    • (1990) J Phys Conden Matter , vol.2
    • Nosé, S.1
  • 26
    • 0001471777 scopus 로고
    • Computer modelling of phase transitions in minerals
    • Parker SC, Price GD (1989) Computer modelling of phase transitions in minerals. Adv Solid State Chem 1:295-327
    • (1989) Adv Solid State Chem , vol.1 , pp. 295-327
    • Parker, S.C.1    Price, G.D.2
  • 28
    • 0022217860 scopus 로고
    • Cambridge University Press, Cambridge, UK
    • Poirier JP (1985) Creep of crystals. Cambridge University Press, Cambridge, UK
    • (1985) Creep of Crystals
    • Poirier, J.P.1
  • 32
    • 0029752220 scopus 로고    scopus 로고
    • The melting of MgO - Computer calculations via molecular dynamics
    • Vocadlo L, Patel A, Price GD (1996) The melting of MgO - Computer calculations via molecular dynamics. Phys Chem Minerals 23:42-49
    • (1996) Phys Chem Minerals , vol.23 , pp. 42-49
    • Vocadlo, L.1    Patel, A.2    Price, G.D.3
  • 33
    • 0028823691 scopus 로고
    • Absolute ionic diffusion in MgO - Computer calculations via lattice dynamics
    • Vocadlo L, Wall A, Parker SC, Price GD (1995) Absolute ionic diffusion in MgO - Computer calculations via lattice dynamics. Phys Earth Planet Inter 88:193-210
    • (1995) Phys Earth Planet Inter , vol.88 , pp. 193-210
    • Vocadlo, L.1    Wall, A.2    Parker, S.C.3    Price, G.D.4
  • 35
    • 0008705549 scopus 로고
    • Molecular dynamics simulation of fluoride perovskites
    • Watson GW, Parker SC, Wall A (1992) Molecular dynamics simulation of fluoride perovskites. J Phys Conden Matter 4:2097-2108
    • (1992) J Phys Conden Matter , vol.4 , pp. 2097-2108
    • Watson, G.W.1    Parker, S.C.2    Wall, A.3
  • 37
    • 0029473437 scopus 로고
    • Oxygen diffusion in grossular and some geological implications
    • Wright K, Freer R, Catlow CRA (1995) Oxygen diffusion in grossular and some geological implications. Am Mineral 80:1020-1025
    • (1995) Am Mineral , vol.80 , pp. 1020-1025
    • Wright, K.1    Freer, R.2    Catlow, C.R.A.3
  • 38
    • 30744474892 scopus 로고
    • Lattice diffusion, grain boundary diffusion and defect structure of ZnO
    • Wuensch BJ, Tuller HL (1994) Lattice diffusion, grain boundary diffusion and defect structure of ZnO. J Phys Chem Solids 55:975-984
    • (1994) J Phys Chem Solids , vol.55 , pp. 975-984
    • Wuensch, B.J.1    Tuller, H.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.