Thermal expansion of Mg(OH) 2 brucite under high pressure and pressure dependence of entropy

Fukui, Hiroshi; Ohtaka, Osamu; Suzuki, Taku; Funakoshi, K.

doi:10.1007/s00269-003-0353-z

Cited by 32 publications

(45 citation statements)

References 13 publications

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“…The K T0 values of Fei and Mao (1993) and Parise et al (1994) are higher and they are close to our Voigt bound values. While the K T0 values by other researchers (Catti et al 1995;Duffy et al 1995a;Nagai et al 2000;Fukui et al 2003a) are close to the Hill average of the Reuss-Voigt bound. These discrepancies could in part refl ect differences in the strain state achieved in previous studies depending on experimental conditions and pressure medium used.…”

Section: Volume Compression Behaviorsupporting

confidence: 57%

“…However, it is expected that static compression results should be close to the Reuss bound. Many previous studies were conducted under non-hydrostatic conditions either with a solid or no pressure medium (e.g., Catti et al 1995;Nagai et al 2000;Fukui et al 2003a), and it is well known that even small amounts of deviatoric stress can lead to an overestimate of the bulk modulus (Duffy et al 1999). Our Reuss bound on K T0 is in very good agreement with a previous report using the Brillouin method at room pressure.…”

Section: Volume Compression Behaviormentioning

confidence: 99%

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Single-crystal elasticity of brucite, Mg(OH)2, to 15 GPa by Brillouin scattering

Jiang

Speziale

Duffy

2006

American Mineralogist

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The second-order elastic constants of brucite were determined by Brillouin scattering to 15 GPa in a diamond anvil cell. The experiments were carried out using a 4:1 methanol-ethanol mixture as pressure medium, and ruby as a pressure standard. Two planes, one perpendicular to the c axis (basal plane) and the other containing the c axis (meridian plane), were measured at room pressure and 10 elevated pressures. Individual elastic stiffnesses, aggregate moduli, and their pressure derivatives were obtained by fi tting the data to Eulerian fi nite strain equations. The inversion yields individual elastic constants of C 11 = 154.0(14) GPa, C 33 = 49.7(7) GPa, C 12 = 42.1(17) GPa, C 13 = 7.8(25) GPa, C 14 = 1.3(10) GPa, C 44 = 21.3(4) GPa, and their pressure derivatives of (∂C 11 /∂P) 0 = 9.0(2), (∂C 33 /∂P) 0 = 14.0(5), (∂C 12 /∂P) 0 = 3.2(2), (∂C 13 /∂P) 0 = 5.0(1), (∂C 14 /∂P) 0 = 0.9(1), (∂C 44 /∂P) 0 = 3.9(1). Aggregate moduli and their pressure derivatives are K S0 = 36.4(9) GPa, G 0 = 31.3(2) GPa, (∂K S /∂P) T0 = 8.9(4), (∂G/∂P) 0 = 4.3(1) for the Reuss bound, and K S0 = 43.8(8) GPa, G 0 = 35.2(3) GPa, (∂K S /∂P) T0 = 6.8(2), (∂G/P) 0 = 3.4(1) for the Voigt-Reuss-Hill average. The ratio of the linear compressibility along the c and a axes decreased from 4.7 to 1.3 over the examined pressure range. The shear anisotropy (C 66 / C 44 ) decreased from 2.6(1) at ambient condition to 1.3(1) with increase of pressure to 12 GPa. Axial compressibilities and a compression curve constructed from our Brillouin data are in good agreement with previous X-ray diffraction data. The increased interlayer interactions and hydrogen repulsion that occurs as brucite is compressed produce a continuous variation of elastic properties rather than any abrupt discontinuities.

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Section: Volume Compression Behaviorsupporting

confidence: 57%

Section: Volume Compression Behaviormentioning

confidence: 99%

Single-crystal elasticity of brucite, Mg(OH)2, to 15 GPa by Brillouin scattering

Jiang

Speziale

Duffy

2006

American Mineralogist

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“…Our Birch-Murnaghan equation of state is shown in Figure 4, and Table 2 gives our fitted K 0 and K′ 0 values. Both the figure and the table include several experimental determinations from the literature (Catti et al 1991(Catti et al , 1995nagai et al 2000;Duffy et al 1991Duffy et al , 1995bXia et al 1998;Fukui et al 2003;Saxena 1989;Fei and Mao 1993;Jiang et al 2006) and some theoretical determinations (Mookherjee and Stixrude 2006;Hermansson et al 2008a). There is a considerable spread in the experimental K 0 and K′ 0 values, which reflects the differences in, e.g., the experimental technique used (shock experiment techniques, Brillouin scattering, X-ray diffraction, neutron diffraction...), and other aspects such as the use of a pressure medium.…”

Section: Equation Of Statementioning

confidence: 96%

“…The pressure-dependent experimental data included in the figure originate from synchrotron X-ray, standard X-ray, and neutron diffraction experiments on brucite powder or single-crystal samples (Parise et al 1994;Catti et al 1995;nagai et al 2000;Fei and Mao 1993;Duffy et al 1995b;Xia et al 1998;Fukui et al 2003). All experimental data included in the figure are room-temperature data.…”

Section: Brucite P3m1 Structure At Different Pressures and The Equatimentioning

confidence: 99%

Anharmonic OH vibrations in brucite: Small pressure-induced redshift in the range 0-22 GPa

Mitev

Gajewski

Hermansson

2009

American Mineralogist

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The uncoupled anharmonic OH-stretching vibrational frequency for the layered mineral Mg(OH) 2 (brucite) has been calculated in the pressure range 0−22 GPa. Quantum-mechanical electronic structure (DFT) calculations were performed, followed by quantum-mechanical vibrational energy calculations. The following findings emerged: (1) The calculated dν(OH)/dP slope is -4 cm -1 /GPa, in agreement with the experimental literature value [taken as the average between the Raman and IR-measured slopes for Mg(OH) 2 ]. (2) The calculated ν(OH) vs. R(O···O) correlation is linear and the slope is much smaller than that of traditional H-bond correlation curves in the literature. (3) The main origin of the small dν/dP and dν/dR(O···O) slopes is the small electric field variation as the mineral layers are pressed toward each other. (4) At high pressure, the OH − ions show some tendency to be tilted with respect to the c axis, and a larger tilt angle leads to a larger ν(OH) downshift. (5) The pressure variation of the D quadrupole coupling constant is approximately -1 kHz/GPa.

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“…The density of brucite is calculated from the thermal equation of state of Fukui et al (2003), yielding a value of 2400 kg m −3 . The densities of ice VI and structure I methane clathrate are calculated from the parameterized equations of state in Fortes (2004), yielding mean densities of 1400 and 940 kg m −3 , respectively.…”

Section: Chemical and Structural Evolutionmentioning

confidence: 99%

Ammonium sulfate on Titan: Possible origin and role in cryovolcanism

Fortes

Grindrod

Trickett

et al. 2007

Icarus

154

118

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Thermal expansion of Mg(OH) 2 brucite under high pressure and pressure dependence of entropy

Cited by 32 publications

References 13 publications

Single-crystal elasticity of brucite, Mg(OH)2, to 15 GPa by Brillouin scattering

Single-crystal elasticity of brucite, Mg(OH)2, to 15 GPa by Brillouin scattering

Anharmonic OH vibrations in brucite: Small pressure-induced redshift in the range 0-22 GPa

Ammonium sulfate on Titan: Possible origin and role in cryovolcanism

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