Shock behavior of zircon: phase transition to scheelite structure and decomposition

Kusaba, Keiji; Syono, Yasuhiko; Kikuchi, Masae; Fukuoka, Kazuya

doi:10.1016/0012-821x(85)90064-0

Cited by 143 publications

(108 citation statements)

References 8 publications

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“…The boundary found in this study is generally consistent with the large-volume press experiments using the heated method (Reid and Ringwood 1969;Tange and Takahashi 2002), and with the boundary estimated by Ono et al (2004), who used the laser-heated diamond anvil cell method combined with synchrotron X-rays. However, the boundary in this study disagrees with those determined by room-temperature compression (Knittle and Williams 1993;van Westrenen et al 2004) and shock compression studies (Kusaba et al 1985). These studies indicated much higher transition pressures than that indicated by our results, and there is also a large discrepancy among them.…”

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confidence: 99%

“…The pressure discrepancy between this study and room-temperature compression experiments (Knittle and Williams 1993;van Westrenen et al 2004) indicates that the high-temperature heating played a fundamental role in overcoming kinetic effects of the phase transition from zircon to reidite. In the case of the shock experiments (Kusaba et al 1985), the duration at high-pressure and high-temperature was much shorter than that of the static compression experiment. It is generally accepted that the shock experiments is not a suitable method for the determination of the phase boundary.…”

mentioning

confidence: 79%

“…Large-volume press experiments (Reid and Ringwood 1969;Tange and Takahashi 2002), shock experiments (Mashimo et al 1983;Kusaba et al 1985), 4 and diamond anvil cell experiments (Liu 1979;Knittle and Williams 1993;van Westrenen et al 2004) have demonstrated that zircon undergoes a phase transition at high pressures. At pressures higher than 20 GPa, reidite dissociates into two dioxides, ZrO 2 and SiO 2 (Liu 1979;Tange and Takahashi 2002).…”

Section: Introductionmentioning

confidence: 99%

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Phase transition of zircon at high P-T conditions

Ono

Funakoshi

Nakajima

et al. 2004

Contributions to Mineralogy and Petrology

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In situ observations of the zircon-reidite transition in ZrSiO 4 were carried out using a multianvil high-pressure apparatus and synchrotron radiation. The phase boundary between zircon and reidite was determined to be P (GPa) = 8.5 + 0.0017×(T-1200) (K) for temperatures between 1100-1900 K. When subducted slabs, including igneous rocks and sediments, descend into the upper mantle, zircon in the subducted slab transforms into reidite at pressures of about 9 GPa, corresponding to a depth of 270 km. Reidite found in an upper Eocene impact ejecta layer in marine sediments is thought to have been transformed from zircon by a shock event. The peak pressure generated by the shock event in this occurrence is estimated to be higher than 8 GPa.

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confidence: 79%

Section: Introductionmentioning

confidence: 99%

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Phase transition of zircon at high P-T conditions

Ono

Funakoshi

Nakajima

et al. 2004

Contributions to Mineralogy and Petrology

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“…(ii) static experiments show that this transformation is observed at pressures in the range [10][11][12][13][14][15] GPa when temperature is increased up to 1000-1500 K [10][11][12], whereas at room temperature the transition is also possible if pressure is increased up to approximately 20-23 GPa [13,14], (iii) shock wave studies found this transformation to occur very fast (microsecond time scale), and at much higher pressures (30-50 GPa) [9,15,16], (iv) zircon → reidite transformation exhibits large hysteresis, zircon is not recoverable from reidite at zero pressure unless heated up to 1273 K [15], and (v) the thermodynamic boundary presents a positive Clapeyron slope [17].…”

Section: Thermodynamics and Thermal Barriers Of The Zircon-reidimentioning

confidence: 99%

On the mechanism of the zircon-reidite pressure induced transformation

Marqués

Contreras‐García

Flórez

et al. 2008

Journal of Physics and Chemistry of Solids

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To cite this version:M. Marqués, J. Contreras-García, M. Flórez, J.M. Recio. On the mechanism of the zircon-reidite pressure induced transformation. Journal of Physics and Chemistry of Solids, Elsevier, 2009, 69 (9) This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting galley proof before it is published in its final citable form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. A c c e p t e d m a n u s c r i p t.On the mechanism of the zircon-reidite pressure induced transformation M. Marqués, J. Contreras-García, M. Flórez, and J. M. RecioDepartamento de Química Física y Analítica, Universidad de Oviedo, E-33006Oviedo, Spain AbstractWe report first principles results of a detailed investigation directed to elucidate mechanistic aspects of the zircon-reidite phase transition in ZrSiO 4 . The calculated thermodynamic boundary is located around 5 GPa, and the corresponding thermal barrier, estimated from temperatures at which the transition is observed at zero and high pressure, is 133 kJ/mol. Under a martensitic perspective, we examine two different transition pathways at the thermodynamic transition pressure. First, the direct, displacive-like, tetragonal I4 1 /a energetic profile is computed using the c/a ratio as the tranformation parameter, and yields a very high activation barrier (236 kJ/mol). Second, a quasi-monoclinic unit cell allows us to characterize a transition path from zircon (β=90 • ) to reidite (β=114.51 • ) with an activation barrier of around 80 kJ/mol at β=104 • . This energy is somewhat lower than our previous estimation and supports the reconstructive nature of the transformation at the thermodynamic transition pressure.

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“…Static-pressure 1,3,4,9,10 and shock-wave compression [11][12][13] experiments have identified reidite as the only high-pressure polymorph of ZrSiO 4 . At elevated temperature and pressure, ZrSiO 4 is observed to decompose into SiO 2 ͑stishovite͒ and ZrO 2 ͑cottunite͒.…”

Section: Introductionmentioning

confidence: 99%

Structure and stability ofZrSiO4under hydrostatic pressure

et al. 2006

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We present the results of a combined experimental and theoretical investigation aimed to determine structural and equation-of-state parameters and phase stability thermodynamic boundaries of ZrSiO 4 polymorphs. Experimental unit-cell data have been obtained for a powdered sample in a diamond-anvil cell using energydispersive synchrotron x-ray diffraction with emphasis on the pressure range 0 -15 GPa. Static total-energy calculations have been performed within the density functional theory at local density and generalized gradient approximation levels using a plane-wave pseudopotential scheme. Our quantum-mechanical simulations explore the pressure response of the two observed tetragonal structures ͑zircon-and scheelite-type reidite͒ as well as of other potential post-scheelite polymorphs up to about 60 GPa. We find very good agreement between our experimental and calculated pressure-volume values for the low-pressure phase of ZrSiO 4 . A microscopic analysis of the bulk compressibility of zircon and reidite in terms of polyhedral and atomic contributions is proposed to clarify some of the discrepancies found in recent theoretical and experimental studies. Our results show the relevant role played by the oxygen atoms in the description of this property. The zircon-reidite equilibrium phase transition pressure is computed around 5 GPa. No other post-scheelite phase is found stable above this pressure though a decomposition into ZrO 2 ͑cottunite͒ and SiO 2 ͑stishovite͒ is predicted at about 6 GPa. These two transition pressure values are well below the experimental ranges detected in the laboratory in concordance with the large hysteresis associated with these transformations.

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Shock behavior of zircon: phase transition to scheelite structure and decomposition

Cited by 143 publications

References 8 publications

Phase transition of zircon at high P-T conditions

Phase transition of zircon at high P-T conditions

On the mechanism of the zircon-reidite pressure induced transformation

Structure and stability ofZrSiO4under hydrostatic pressure

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