메뉴 건너뛰기




Volumn 139, Issue 1-2, 2003, Pages 93-111

Atomistic simulation of mineral-melt trace-element partitioning

Author keywords

Melt; Minerals; Trace element

Indexed keywords

LATTICE DYNAMICS; MELT; METHODOLOGY; PARTITIONING; SILICATE MINERAL; TRACE ELEMENT;

EID: 0242380741     PISSN: 00319201     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0031-9201(03)00147-X     Document Type: Article
Times cited : (17)

References (49)
  • 1
    • 0001164070 scopus 로고
    • Density-functional theory and interionic potentials
    • Allan N.L.Mackrodt W.C.Density-functional theory and interionic potentials Philos. Mag. B 69 1994 871-878
    • (1994) Philos. Mag. B , vol.69 , pp. 871-878
    • Allan, N.L.1    Mackrodt, W.C.2
  • 3
    • 45949129851 scopus 로고
    • Rare-gas systematics-formation of the atmosphere, evolution and structure of the earth's mantle
    • Allègre C.J.Staudacher T.Sarda P.Rare-gas systematics-formation of the atmosphere, evolution and structure of the earth's mantle Earth Planet Sci. Lett. 81 1987 127-150
    • (1987) Earth Planet Sci. Lett. , vol.81 , pp. 127-150
    • Allègre, C.J.1    Staudacher, T.2    Sarda, P.3
  • 4
    • 0033846498 scopus 로고    scopus 로고
    • An experimental comparison of clinopyroxene-melt partitioning in silicate and carbonate systems and implications for mantle metasomatism
    • Blundy J.D.Dalton J.A.An experimental comparison of clinopyroxene-melt partitioning in silicate and carbonate systems and implications for mantle metasomatism Contrib. Mineral. Petrol. 139 2000 356-371
    • (2000) Contrib. Mineral. Petrol. , vol.139 , pp. 356-371
    • Blundy, J.D.1    Dalton, J.A.2
  • 5
    • 0028165245 scopus 로고
    • Prediction of crystal-melt partition coefficients from elastic moduli
    • Blundy J.D.Wood B.J.Prediction of crystal-melt partition coefficients from elastic moduli Nature 372 1994 452-454
    • (1994) Nature , vol.372 , pp. 452-454
    • Blundy, J.D.1    Wood, B.J.2
  • 6
    • 0033918420 scopus 로고    scopus 로고
    • Simulation studies of the pyrope-grossular garnet solid solution
    • Bosenick A.Dove M.T.Geiger C.A.Simulation studies of the pyrope-grossular garnet solid solution Phys. Chem. Min. 27 2000 398-418
    • (2000) Phys. Chem. Min. , vol.27 , pp. 398-418
    • Bosenick, A.1    Dove, M.T.2    Geiger, C.A.3
  • 7
    • 0001624326 scopus 로고
    • Some thermodynamic aspects of the growth of strained crystals
    • Brice J.C.Some thermodynamic aspects of the growth of strained crystals J. Cryst. Growth 28 1975 249-253
    • (1975) J. Cryst. Growth , vol.28 , pp. 249-253
    • Brice, J.C.1
  • 9
    • 0028601044 scopus 로고
    • Noble gases as trace elements in magmatic processes
    • Carroll M.R.Draper D.S.Noble gases as trace elements in magmatic processes Chem. Geol. 117 1994 37-56
    • (1994) Chem. Geol. , vol.117 , pp. 37-56
    • Carroll, M.R.1    Draper, D.S.2
  • 10
    • 0002774326 scopus 로고
    • Theory of simulation methods for lattice and defect energy calculations in crystals
    • Catlow, C.R.A., Mackrodt, W.C. (Eds.), Springer, Berlin
    • Catlow, C.R.A., Mackrodt, W.C., 1982. Theory of simulation methods for lattice and defect energy calculations in crystals. In: Catlow, C.R.A., Mackrodt, W.C. (Eds.), Computer Simulation of Solids. Springer, Berlin, pp. 3-20.
    • (1982) Computer Simulation of Solids , pp. 3-20
    • Catlow, C.R.A.1    Mackrodt, W.C.2
  • 13
    • 34548433670 scopus 로고
    • Theory of the dielectric constants of alkali halide crystals
    • Dick B.G.Overhauser A.W.Theory of the dielectric constants of alkali halide crystals Phys. Rev. 112 1958 90-103
    • (1958) Phys. Rev. , vol.112 , pp. 90-103
    • Dick, B.G.1    Overhauser, A.W.2
  • 15
    • 33748616559 scopus 로고    scopus 로고
    • GULP: A computer program for the symmetry adapted simulation of solids
    • Gale J.D.GULP: a computer program for the symmetry adapted simulation of solids Faraday Trans. 93 1997 629-637
    • (1997) Faraday Trans. , vol.93 , pp. 629-637
    • Gale, J.D.1
  • 16
    • 0000734806 scopus 로고    scopus 로고
    • 12 garnet: A review and analysis
    • 12 garnet: a review and analysis Mineral. Petrol. 66 1999 271-299
    • (1999) Mineral. Petrol. , vol.66 , pp. 271-299
    • Geiger, C.A.1
  • 17
    • 0004574880 scopus 로고
    • The principles of the distribution of chemical elements in minerals and rocks
    • Goldschmidt V.M.The principles of the distribution of chemical elements in minerals and rocks J. Chem. Soc. Lond. 140 1937 655-673
    • (1937) J. Chem. Soc. Lond. , vol.140 , pp. 655-673
    • Goldschmidt, V.M.1
  • 18
    • 84996205459 scopus 로고
    • The displacements and polarisation caused by point defects in ionic crystals
    • Hardy J.R.Lidiard A.B.The displacements and polarisation caused by point defects in ionic crystals Philos. Mag. 15 1967 825-843
    • (1967) Philos. Mag. , vol.15 , pp. 825-843
    • Hardy, J.R.1    Lidiard, A.B.2
  • 19
    • 0028601833 scopus 로고
    • Experimental and natural partitioning of Th, U, Pb and other trace elements between garnet, clinopyroxene and basaltic melts
    • Hauri E.K.Wagner T.P.Grove T.L.Experimental and natural partitioning of Th, U, Pb and other trace elements between garnet, clinopyroxene and basaltic melts Chem. Geol. 117 1994 149-166
    • (1994) Chem. Geol. , vol.117 , pp. 149-166
    • Hauri, E.K.1    Wagner, T.P.2    Grove, T.L.3
  • 20
    • 0018543611 scopus 로고
    • Bulk modulus-volume relationship for cation-anion polyhedra
    • Hazen R.M.Finger L.W.Bulk modulus-volume relationship for cation-anion polyhedra J. Geophys. Res. 84 1979 6723-6728
    • (1979) J. Geophys. Res. , vol.84 , pp. 6723-6728
    • Hazen, R.M.1    Finger, L.W.2
  • 21
    • 33947346726 scopus 로고
    • The fractional precipitation of barium and radium chromates
    • Henderson L.M.Kracek F.C.The fractional precipitation of barium and radium chromates J. Am. Chem. Soc. 49 1927 739-749
    • (1927) J. Am. Chem. Soc. , vol.49 , pp. 739-749
    • Henderson, L.M.1    Kracek, F.C.2
  • 22
    • 0033392260 scopus 로고    scopus 로고
    • Systematic elemental fractionation of mantle-derived helium, neon, and argon in mid-oceanic ridge glasses
    • Honda M.Patterson D.B.Systematic elemental fractionation of mantle-derived helium, neon, and argon in mid-oceanic ridge glasses Geochim. Cosmochim. Acta 63 1999 2863-2874
    • (1999) Geochim. Cosmochim. Acta , vol.63 , pp. 2863-2874
    • Honda, M.1    Patterson, D.B.2
  • 23
    • 0001104502 scopus 로고
    • Substitution, deformation locale de la maille et équilibre de distribution des elements en traces entre silicates et solution hydrothermale
    • Ilyama J.T.Substitution, deformation locale de la maille et équilibre de distribution des elements en traces entre silicates et solution hydrothermale Bul. Soc. fr. Mineral. Cristal. 97 1974 143-151
    • (1974) Bul. Soc. Fr. Mineral. Cristal. , vol.97 , pp. 143-151
    • Ilyama, J.T.1
  • 24
    • 0037916017 scopus 로고    scopus 로고
    • Computer-simulation approach for the prediction of trace element partitioning between crystal and melt
    • Aoki, H., Syono, Y., Hemley, R.J. (Eds.), Chapter 6.4
    • Kanzaki, M., 2000. Computer-simulation approach for the prediction of trace element partitioning between crystal and melt. In: Aoki, H., Syono, Y., Hemley, R.J. (Eds.), Physics Meets Mineralogy, Chapter 6.4, pp. 381-389.
    • (2000) Physics Meets Mineralogy , pp. 381-389
    • Kanzaki, M.1
  • 25
    • 4244129856 scopus 로고
    • Relations between the concentrations of imperfections in crystalline solids Solid State
    • Kröger F.A.Vink H.J.Relations between the concentrations of imperfections in crystalline solids Solid State Phys. 3 1956 307-435
    • (1956) Solid State Phys. , vol.3 , pp. 307-435
    • Kröger, F.A.1    Vink, H.J.2
  • 27
    • 0038115409 scopus 로고    scopus 로고
    • Beyond the point defect limit: Solid solutions, phase diagrams and trace-element partitioning
    • Lavrentiev, M.Yu., Allan, N.L., Purton, J.A., 2003b. Beyond the point defect limit: solid solutions, phase diagrams and trace-element partitioning. Phys. Chem. Chem. Phys. 5, 2140-2146.
    • (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 2140-2146
    • Lavrentiev, M.Yu.1    Allan, N.L.2    Purton, J.A.3
  • 28
    • 0001369760 scopus 로고
    • High-pressure structural study of diopside
    • Levien L.Prewitt C.T.High-pressure structural study of diopside Am. Mineral. 66 1981 315-323
    • (1981) Am. Mineral. , vol.66 , pp. 315-323
    • Levien, L.1    Prewitt, C.T.2
  • 29
    • 33750800144 scopus 로고
    • Potential models for ionic oxides
    • Lewis G.V.Catlow C.R.A.Potential models for ionic oxides J. Phys. C 8 1985 1149-1161
    • (1985) J. Phys. C , vol.8 , pp. 1149-1161
    • Lewis, G.V.1    Catlow, C.R.A.2
  • 30
    • 37049090735 scopus 로고
    • The Mott-Littleton method: An introductory survey
    • Lidiard A.B.The Mott-Littleton method: an introductory survey J. Chem. Soc., Faraday Trans. 85 1989 341-349
    • (1989) J. Chem. Soc., Faraday Trans. , vol.85 , pp. 341-349
    • Lidiard, A.B.1
  • 31
    • 0009435874 scopus 로고
    • Conduction in polar crystals. I. Electrolytic conduction in solid salts
    • Mott N.F.Littleton M.T.Conduction in polar crystals. I. Electrolytic conduction in solid salts Trans. Faraday Soc. 34 1938 485-499
    • (1938) Trans. Faraday Soc. , vol.34 , pp. 485-499
    • Mott, N.F.1    Littleton, M.T.2
  • 32
    • 0000586533 scopus 로고
    • Volume behaviour of silicate solid solutions
    • Newton R.C.Wood B.J.Volume behaviour of silicate solid solutions Am. Mineral. 65 1980 733-745
    • (1980) Am. Mineral. , vol.65 , pp. 733-745
    • Newton, R.C.1    Wood, B.J.2
  • 33
    • 0029731271 scopus 로고    scopus 로고
    • Limits on the mass flux between lower and upper mantle and stability of layering
    • O'Nions R.K.Tolstikhin I.N.Limits on the mass flux between lower and upper mantle and stability of layering Earth Planet Sci. Lett. 139 1996 213-222
    • (1996) Earth Planet Sci. Lett. , vol.139 , pp. 213-222
    • O'Nions, R.K.1    Tolstikhin, I.N.2
  • 35
    • 0034092693 scopus 로고    scopus 로고
    • The primordial noble gases in the earth: A key constraint on earth evolution models
    • Ozima M.Igarashi G.The primordial noble gases in the earth: a key constraint on earth evolution models Earth Planet Sci. Lett. 176 2000 219-232
    • (2000) Earth Planet Sci. Lett. , vol.176 , pp. 219-232
    • Ozima, M.1    Igarashi, G.2
  • 36
    • 0000498792 scopus 로고    scopus 로고
    • Isovalent trace element partitioning between minerals and melts: A computer simulation study
    • Purton J.A.Allan N.L.Blundy J.D.Wasserman E.A.Isovalent trace element partitioning between minerals and melts: a computer simulation study Geochim. Cosmochim. Acta 60 1996 4977-4987
    • (1996) Geochim. Cosmochim. Acta , vol.60 , pp. 4977-4987
    • Purton, J.A.1    Allan, N.L.2    Blundy, J.D.3    Wasserman, E.A.4
  • 37
    • 0031404818 scopus 로고    scopus 로고
    • Calculated solution energies of heterovalent cations in forsterite and diopside: Implications for trace element partitioning
    • Purton J.A.Allan N.L.Blundy J.D.Calculated solution energies of heterovalent cations in forsterite and diopside: implications for trace element partitioning Geochim. Cosmochim. Acta 61 1997 3927-3936
    • (1997) Geochim. Cosmochim. Acta , vol.61 , pp. 3927-3936
    • Purton, J.A.1    Allan, N.L.2    Blundy, J.D.3
  • 38
    • 0001699216 scopus 로고    scopus 로고
    • Impurity cations in the bulk and the {0 0 1} surface of muscovite: An atomistic simulation study
    • Purton J.A.Allan N.L.Blundy J.D.Impurity cations in the bulk and the {0 0 1} surface of muscovite: an atomistic simulation study J. Mater. Chem. 7 1997 1947-1951
    • (1997) J. Mater. Chem. , vol.7 , pp. 1947-1951
    • Purton, J.A.1    Allan, N.L.2    Blundy, J.D.3
  • 39
    • 0033870869 scopus 로고    scopus 로고
    • Computer simulation of high-temperature, forsterite-melt partitioning
    • Purton J.A.Blundy J.D.Allan N.L.Computer simulation of high-temperature, forsterite-melt partitioning Am. Mineral. 85 2000 1087-1091
    • (2000) Am. Mineral. , vol.85 , pp. 1087-1091
    • Purton, J.A.1    Blundy, J.D.2    Allan, N.L.3
  • 40
    • 84944648082 scopus 로고
    • Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
    • Shannon R.D.Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Acta Cryst. A 32 1976 751-767
    • (1976) Acta Cryst. A , vol.32 , pp. 751-767
    • Shannon, R.D.1
  • 41
    • 0001637008 scopus 로고
    • Thermodynamic properties of simple solutions
    • Abelson, P.H. (Ed.), Wiley, New York
    • Thompson, J.B., 1967. Thermodynamic properties of simple solutions. In: Abelson, P.H. (Ed.), Researches in Geochemistry, vol. 2. Wiley, New York, pp. 340-361.
    • (1967) Researches in Geochemistry , vol.2 , pp. 340-361
    • Thompson, J.B.1
  • 43
    • 0032523597 scopus 로고    scopus 로고
    • The evolution of terrestrial volatiles: A view from helium, neon, argon and nitrogen isotope modelling
    • Tolstikhin I.N.Marty B.The evolution of terrestrial volatiles: a view from helium, neon, argon and nitrogen isotope modelling Chem. Geol. 147 1998 27-52
    • (1998) Chem. Geol. , vol.147 , pp. 27-52
    • Tolstikhin, I.N.1    Marty, B.2
  • 44
    • 0032752952 scopus 로고    scopus 로고
    • Crystal-chemical controls on trace element partitioning between garnet and anhydrous silicate melts
    • van Westrenen W.Blundy J.D.Wood B.J.Crystal-chemical controls on trace element partitioning between garnet and anhydrous silicate melts Am. Mineral. 84 1999 838-847
    • (1999) Am. Mineral. , vol.84 , pp. 838-847
    • van Westrenen, W.1    Blundy, J.D.2    Wood, B.J.3
  • 45
    • 0034127953 scopus 로고    scopus 로고
    • Atomistic simulation of trace element incorporation into garnets-comparison with experimental garnet-melt partitioning data
    • van Westrenen W.Allan N.L.Blundy J.D.Purton J.A.Wood B.J.Atomistic simulation of trace element incorporation into garnets-comparison with experimental garnet-melt partitioning data Geochim. Cosmochim. Acta 64 2000 1629-1639
    • (2000) Geochim. Cosmochim. Acta , vol.64 , pp. 1629-1639
    • van Westrenen, W.1    Allan, N.L.2    Blundy, J.D.3    Purton, J.A.4    Wood, B.J.5
  • 46
    • 77958541291 scopus 로고    scopus 로고
    • HFSE/REE fractionation during partial melting in the presence of garnet: Implications for identification of mantle heterogeneities
    • Paper Number 2000GC000133
    • van Westrenen, W., Blundy, J.D., Wood, B.J., 2001. HFSE/REE fractionation during partial melting in the presence of garnet: implications for identification of mantle heterogeneities. Geochem. Geophys. Geosyst. 2. Paper Number 2000GC000133.
    • (2001) Geochem. Geophys. Geosyst. , vol.2
    • van Westrenen, W.1    Blundy, J.D.2    Wood, B.J.3
  • 49
    • 0031371062 scopus 로고    scopus 로고
    • A predictive model for rare earth element partitioning between clinopyroxene and anhydrous silicate melt
    • Wood B.J.Blundy J.D.A predictive model for rare earth element partitioning between clinopyroxene and anhydrous silicate melt Contrib. Mineral. Petrol. 129 1997 166-181
    • (1997) Contrib. Mineral. Petrol. , vol.129 , pp. 166-181
    • Wood, B.J.1    Blundy, J.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.