Hostname: page-component-586b7cd67f-t8hqh Total loading time: 0 Render date: 2024-11-22T06:54:04.410Z Has data issue: false hasContentIssue false

Mineral physics: the atomic, mesoscopic and macroscopic perspective

Published online by Cambridge University Press:  05 July 2018

E. K. H. Salje*
Affiliation:
University of Cambridge, Department of Earth Sciences, Downing Street, Cambridge CB2 3EQ, UK
S. Ríos
Affiliation:
University of Cambridge, Department of Earth Sciences, Downing Street, Cambridge CB2 3EQ, UK
*

Abstract

The macroscopic behaviour of minerals is not always directly related to their crystalline structure at the atomic scale but often depends explicitly on mesoscopic (nanometer–micrometer) features. This paper reviews various cases where the macroscopic phenomena differ from those of the bulk, with structural and chemical variations related to: domain walls, leading to enhanced or reduced transport properties; surfaces controlling growth morphologies; and radiation-damaged minerals where the interface between the amorphous and crystalline phase is believed to play a key role in hydrothermal leaching behaviour. Minerals explicitly discussed are: quartz, agate, hydroxylapatite, cordierite and metamict zircon.

Type
Research Article
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2002

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Aird, A. and Salje, E.K.H. (1998) Sheet superconductivity in twin walls: experimental evidence of WO3–x . Journal of Physics: Condensed Matter, 10, L377L380.Google Scholar
Aird, A. and Salje, E.K.H. (2000) Enhanced reactivity of domain walls in WO3 with sodium. The European Physical Journal B, 15, 205210.Google Scholar
Axe, J.D. and Shirane, G. (1970) Study of the α-β quartz phase transformation by inelastic neutron scattering. Physical Review B, 1, 342348.CrossRefGoogle Scholar
Binder, K. (1981) Static and dynamic critical phenomena of the two-dimensional Q-state Potts-model. Journal of Statistical Physics, 24, 6986.CrossRefGoogle Scholar
Blackburn, J.F. and Salje, E.K.H. (1999 a) Sandwich domain walls in cordierite: a computer simulation study. Journal of Physics: Condensed Matter, 11, 4747-4766.Google Scholar
Blackburn, J.F. and Salje, E.K.H. (1999 b) Time evolution of twin domains in cordierite: a computer simulation study. Physics and Chemistry of Minerals, 26, 275296.CrossRefGoogle Scholar
Blackburn, J.F. and Salje, E.K.H. (1999 c) Formation of needle shaped twin domains in cordierite: a computer simulation study. Journal of Applied Physics, 85, 24142422.CrossRefGoogle Scholar
Brown, W.L. and Parsons, I. (1994) Feldspars in igneous rocks. Pp. 449500 in: Feldspars and their Reactions (Parsons, I., editor). Kluwer Academic Publishers, Dordrecht, The Netherlands.CrossRefGoogle Scholar
Calleja, M., Dove, M.T. and Salje, E.K.H. (2001) Anisotropic ionic transport in quartz: the effect of twin boundaries. Journal of Physics: Condensed Matter, 13, 94459454.Google Scholar
Camara, F., Doukhan, J.C. and Salje, E.K.H. (2000) Twin walls in anorthoclase are enriched in alkali and depleted in Ca and Al. Phase Transitions, 71, 227242.CrossRefGoogle Scholar
Carpenter, M.A. and Salje, E.K.H. (1994 a) Thermodynamics of non-convergent cation ordering in minerals, II: spinels and the orthopyroxene solid solution. American Mineralogist, 79, 10681083.Google Scholar
Carpenter, M.A. and Salje, E.K.H. (1994 b) Thermodynamics of non-convergent cation order in minerals, III: order parameter coupling in potassium feldspar. American Mineralogist, 79, 10841098.Google Scholar
Carpenter, M.A. and Salje, E.K.H. (1998) Elastic anomalies in minerals due to structural phase transitions. European Journal of Mineralogy, 10, 693812.CrossRefGoogle Scholar
Carpenter, M.A., Salje, E.K.H. and Graeme-Barber, A. (1998 a) Spontaneous strain as a determinant of thermodynamic properties for phase transitions in minerals. European Journal of Mineralogy, 10, 621691.CrossRefGoogle Scholar
Carpenter, M.A., Salje, E.K.H., Graeme-Barber, A., Wruck, B., Dove, M.T. and Knight, S.K. (1998 b) Calibration of excess thermodynamic properties and elastic constant variations associated with the α↔β phase transition in quartz. American Mineralogist, 83, 222.CrossRefGoogle Scholar
Conti, S. and Salje, E.K.H. (2001) Surface structure of ferroelastic domain walls: a continuum elasticity approach. Journal of Physics: Condensed Matter, 13, L847L854.Google Scholar
Crocombette, J.P. and Ghaleb, D. (2001) Molecular dynamics modelling of irradiation damage in pure and uranium-doped zircon. Journal of Nuclear Materials, 295, 167178.CrossRefGoogle Scholar
Eichhorn, K. and Binder, K. (1996) Monte Carlo investigation of the three-dimensional random-field three-state Potts-model. Journal of Physics: Condensed Matter, 8, 52095227.Google Scholar
Ewing, R.C. (1999) Nuclear waste forms for actinides. Proceedings of the National Academy of Science USA, 96, 34323439.CrossRefGoogle ScholarPubMed
Farnan, I. and Salje, E.K.H. (2001) The degree and nature of radiation-damage in zircon observed by 29Si nuclear magnetic resonance. Journal of Applied Physics, 89, 20842090.CrossRefGoogle Scholar
Fousek, J. and Janovek, V. (1969) The orientation of domain walls in twinned ferroelectric crystals. Journal of Applied Physics, 40, 135142.CrossRefGoogle Scholar
Geisler, T. (2002) Isothermal annealing of partially metamict zircon: evidence for a three-stage recovery process. Physics and Chemistry of Minerals, 29, 420429.CrossRefGoogle Scholar
Hayward, S.A. and Salje, E.K.H. (1996) Displacive phase transition in anorthoclase: The “plateau effect” and the effect of T1–T2 ordering on the transition temperature. American Mineralogist, 81, 13321336.CrossRefGoogle Scholar
Hayward, S.A. and Salje, E.K.H. (1999) Cubic-Tetragonal phase transition in SrTiO3 revisited: Landau theory and transition mechanism. Phase Transitions, 68, 501-522.CrossRefGoogle Scholar
Hayward, S.A. and Salje, E.K.H. (2000) Twin memory and twin amnesia in anorthoclase. Mineralogical Magazine, 64, 195200.CrossRefGoogle Scholar
Holland, H.D. and Gottfried, D. (1955) The effect of nuclear radiation on the structure of zircon. Acta Crystallographica, 8, 291300.CrossRefGoogle Scholar
Lee, W.T., Salje, E.K.H. and Dove, M.T. (1999) Effect of surface relaxations of the equilibrium growth morphology of crystals: platelet formation. Journal of Physics: Condensed Matter, 11, 73857410.Google Scholar
Lee, W.T. and Salje, E.K.H. (2000) Oscillatory zoning caused by oscillating surface relaxations. The European Physical Journal B, 13, 395398.CrossRefGoogle Scholar
Lee, W.T., Dove, M.T. and Salje, E.K.H. (2000) Surface relaxations in hydroxyapatite. Journal of Physics: Condensed Matter, 12, 98299841.Google Scholar
Maier, J. (1999) Grain boundary effects in ionic and mixed conductors. Solid Sate Phenomena, 67–8, 4554.CrossRefGoogle Scholar
Malcherek, T., Kroll, H., Schleiter, M. and Salje, E.K.H. (1995) The kinetics of the monoclinic to monoclinic phase transition in BaAl2Ge2O8-feldspar. Phase Transitions, 55, 199215.CrossRefGoogle Scholar
Malcherek, T., Salje, E.K.H. and Kroll, H. (1997) A phenomenological approach to ordering kinetics and partially conserved order parameters. Journal of Physics: Condensed Matter, 9, 80758084.Google Scholar
Meldrum, A., Wang, L.M. and Ewing, R.C. (1996) Ion beam induced amorphization of monazite. Nuclear Instruments and Methods in Physics Research B, 116, 220224.CrossRefGoogle Scholar
Müller, W.F. and Schreyer, W. (1991) Microstructural variations in a natural cordierite from the Eifel volcanic field, Germany. European Journal of Mineralogy, 3, 915931.CrossRefGoogle Scholar
Murakami, T., Chakoumakos, B.C., Ewing, R.C., Lumpkin, G.R. and Weber, W.J. (1991) Alpha-decay event damage in zircon. American Mineralogist, 76, 15101532.Google Scholar
Müser, M.H. and Binder, K. (2001) Molecular dynamics study of the α-β transition in quartz: elastic properties, finite size effects, and hysteresis in the local structure. Physics and Chemistry of Minerals, 28, 746755.Google Scholar
Novak, J. and Salje, E.K.H. (1998 a) Surface structure of domain walls. Journal of Physics: Condensed Matter, 10, L359L366.Google Scholar
Novak, J. and Salje, E.K.H. (1998 b) Simulated mesoscopic structures of a domain wall in a ferroelastic lattice. The European Physical Journal B, 4, 279284.CrossRefGoogle Scholar
Ordejón, P., Artacho, E. and Soler, J.M. (1996) Selfconsistent order-N density-functional calculations for very large systems. Physical Review B, 53, 1044110444.CrossRefGoogle Scholar
Pérez-Mato, J.M. and Salje, E.K.H. (2001) Order parameter saturation at low temperatures: displacive phase transitions with coupled Einstein oscillators. Philosophical Magazine Letters, 81, 885891CrossRefGoogle Scholar
Pertsev, N.A. and Salje, E.K.H. (2001) Thermodynamics of pseudo-proper and improper ferroelastic inclusions and polycrystals: Effect of elastic clamping on phase transitions. Physical Review B, 61, 902908.CrossRefGoogle Scholar
Posner, A.S., Blumenthal, N.C. and Betts, F. (1984) Chemistry and Structure of Precipitated Hydroxya patite in Phosphate Minerals (Nriagju, J.O. and Moore, P.B., editors), Springer, New York.Google Scholar
Ríos, S. and Salje, E.K.H. (1999) Diffuse X-ray scattering from weakly metamict zircon. Journal of Physics: Condensed Matter, 11, 89478956.Google Scholar
Ríos, S., Salje, E.K.H., Zhang, M. and Ewing, R.C. (2000 a) Amorphization in zircon: evidence for direct impact damage. Journal of Physics: Condensed Matter, 12, 24012412.Google Scholar
Ríos, S., Malcherek, T., Salje, E.K.H. and Domeneghetti, C. (2000 b) Localized defects in radiation-damaged zircon. Acta Crystallographica B, 56, 947952.CrossRefGoogle ScholarPubMed
Ríos, S., Salje, E.K.H. and Redfern, S.A.T. (2001) Nanoquartz vs. macroquartz: a study of the alphabeta phase transition. The European Physical Journal B, 20, 7583.CrossRefGoogle Scholar
Salje, E.K.H. (1985) Thermodynamics of sodium feldspar I: order parameter treatment and strain induced coupling effects. Physics and Chemistry of Minerals, 12, 9398.CrossRefGoogle Scholar
Salje, E.K.H. (1992 a) Application of Landau theory for the analysis of phase transitions in minerals. Physics Reports, 215, no.2, 4999.CrossRefGoogle Scholar
Salje, E.K.H. (1992 b) Phase transitions in minerals: from equilibrium properties towards kinetic behaviour. Berichte der Bunsen-Gesellschaft für physikalische Chemie no. 11, 15181541.CrossRefGoogle Scholar
Salje, E.K.H. (1993) Phase Transitions in Ferroelastic and Co-elastic Crystals (student edition). Cambridge University Press, Cambridge, England, 276 pp.Google Scholar
Salje, E.K.H. (1994) Phase transitions and vibrational spectro scopy in feldspars. Pp. 103160 in: Feldspars and Their Reactions (Parsons, I., editor). NATO ASI series. Kluwer Academic Publishers, Dordrecht, The Netherlands.CrossRefGoogle Scholar
Salje, E.K.H. and Ishibashi, Y. (1996) Mesoscopic structures in ferroelastic crystals: needle twins and right-angled domains. Journal of Physics: Condensed Matter, 8, 84778495.Google Scholar
Salje, E.K.H., Kuscholke, B., Wruck, B. and Kroll, H. (1985) Thermodynamics of sodium feldspar II: experimental results and numerical calculations. Physics and Chemistry of Minerals, 12, 99107.CrossRefGoogle Scholar
Salje, E.K.H. Ridgwell, A., Güttler, B., Wruck, B., Dove, M.T. and Dolino, G. (1992) On the displacive character of the phase transition in quartz: a hard mode spectroscopy study. Journal of Physics: Condensed Matter, 4, 571577.Google Scholar
Salje, E.K.H., Gallardo, M.C., Jiménez Romero, F.J. and del Cerro, J. (1998 a) The cubic-tetragonal phase transition in Strontium titanate: excess specific heat measurements and evidence for a near-tricritical, mean field type transition mechanism. Journal of Physics: Condensed Matter, 10, 55355543.Google Scholar
Salje, E.K.H., Buckley, A., Van Tendeloo, G. and Ishibashi, Y. (1998 b) Needle twins and right-angled twins in minerals: comparison between experiment and theory. American Mineralogist, 83, 811822.CrossRefGoogle Scholar
Salje, E.K.H., Chrosch, J. and Ewing, R.C. (1999) Is ‘metamictization’ of zircon a phase transition? American Mineralogist, 84, 11071116.CrossRefGoogle Scholar
Sapriel, J. (1975) Domain wall orientations in ferroelastics. Physical Review B, 12, 51285140.CrossRefGoogle Scholar
Smith, J.V. and Brown, W.L. (1988) Crystal Structures, Physical Chemical and Microstructural Properties. In Feldspar Minerals 1 (2nd edition). Springer-Verlag, New York.CrossRefGoogle Scholar
Tezuka, Y., Shin, S. and Ishigame, M. (1991) Observation of the silent soft phonon in β quartz by means of hyper-Raman Scattering. Physical Review Letters, 66, 23562359.CrossRefGoogle ScholarPubMed
Trachenko, K.O., Dove, M.T. and Salje, E.K.H. (2001) Atomistic modelling of radiation damage in zircon. Journal of Physics: Condensed Matter, 13, 19471959.Google Scholar
Trachenko, K.O., Dove, M.T. and Salje, E.K.H. (2002) Structural changes in zircon under α-decay irradiation. Physical Review B, 65, 180102(R)1-3.CrossRefGoogle Scholar
Tsatskis, I. and Salje, E.K.H. (1996) Time evolution of pericline twin domains in alkali feldspars: a computer-simulation study. American Mineralogist, 81, 800810.CrossRefGoogle Scholar
Tsuneyuki, S., Aoki, H. and Tsukada, M. (1990) Molecular-dynamics study of the α-structural to β-structural phase transition of quartz. Physical Review Letters, 64, 776779.CrossRefGoogle Scholar
Tucker, M.G., Dove, M.T. and Keen, D.A. (2000) Simultaneous analysis of changes in long-range and short-range structural order at the displacive phase transition in quartz. Journal of Physics: Condensed Matter, 12, L723L730.Google Scholar
Venkatesh, V. (1954) Twinning in cordierite. American Mineralogist, 39, 636646.Google Scholar
Wang, S.X., Wang, L.M. and Ewing, R.C. (2001) Irradiation-induced amorphization: effects of temperature, ion mass, cascade size, and dose rate. Physical Review B, 63, 2410524108.CrossRefGoogle Scholar
Weber, W.J., Ewing, R.C. and Wang, L.M. (1994) The radiation-induced crystalline to amorphous transition in zircon. Journal of Materials Research, 9, 688698.CrossRefGoogle Scholar
Weber, W.J., Ewing, R.C., Catlow, C.R.A., Díaz de la Rubia, T., Hobbs, L.W., Kinoshita, C., Matzke, H., Motta, A.T., Nastasi, M., Salje, E.K.H., Vance, E.R. and Zinkle, S.J. (1998) Radiation effects in crystalline ceramics for the immobilization of high-level nuclear waste and plutonium. Journal of Materials Research, 13, 14341484.CrossRefGoogle Scholar
Zhang, M. and Salje, E.K.H. (2001) Infrared spectroscopic analysis in zircon: radiation damage and the metamict state. Journal of Physics: Condensed Matter, 13, 30573071.Google Scholar