Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
We use first first-principle methods and the Peierls-Nabarro model to evaluate the resistance to glide, characterized by the Peierls stress, of glide systems for end-member MgSiO3 Perovskite at mantle pressures. [010](100) is the easiest glide system in Mg-Perovskite at all pressures. Peierls stresses increase systematically with pressure for all systems except [001](010), indicating the importance of lattice friction at lower mantle pressures. The ratio of the maximum Peierls stress for each system relative to the [010](100) value defines their critical resolved shear stress (CRSS). These CRSS are used in a visco-plastic self-consistent homogenization model to predict the evolution of crystal preferred orientations (CPO) during deformation of polycrystalline Mg-Perovskite. In axial compression, [100] tends to align with the compression direction, in agreement with in situ observations in axial compression experiments. In simple shear, [010] concentrates near the shear direction and (100), although more dispersed, tends to align near the shear plane, consistent with the dominant activity of the easier [010](100) system. The calculated seismic anisotropy for a 100% Mg-Perovskite aggregate using the CPO in simple shear and the elastic constants Of MgSiO3 perovskite at lower mantle pressures and temperatures is weak (>3% for P-waves with and >2% for S-waves) and decreases with increasing temperature and pressure. P-waves show the fastest propagation parallel to the lineation and S-waves fast polarization is in the foliation at 38 GPa and normal to the lineation at 88 GPa. This weak anisotropy is consistent with global seismological observations of a nearly isotropic lower mantle. There are however two regions where strain-induced Mg-Perovskite CPO could contribute to anisotropy; a) low temperature regions in the uppermost lower mantle, where the predicted S-wave polarization anisotropy may attain 1.6% with a fast polarization parallel to the foliation, b) in high high-temperature domains in the D '' layer, where Mg-Perovskite may be the major stable phase, leading to polarization of fast S-waves normal to the lineation for propagation directions at high angle to the lineation and an apparent isotropy for all other propagation directions.
ISSN: 0012-821X

hal-00411460
https://hal.archives-ouvertes.fr/hal-00411460
DOI : 10.1016/j.epsl.2008.03.058

Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
without abstract
ISSN: 0012-821X

hal-00413027
https://hal.archives-ouvertes.fr/hal-00413027
DOI : 10.1016/j.epsl.2008.07.061

Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
Talc is a hydrous magnesium rich layered silicate that is widely disseminated in the Earth from the seafloor to over 100 km depth, in ultra-high pressure metamorphism of oceanic crust. In this paper we determine the single crystal elastic constants at pressures from 0 to 12 GPa of talc triclinic (C 1¯) and monoclinic (C2/c) polytypes using ab initio methods. We find that talc has an extraordinarily high elastic anisotropy at zero pressure that reduces with increasing pressure. The exceptional anisotropy is complemented by a negative Poisson's ratio for many directions in crystal space. Calculations show that talc is not only one of very few common minerals to exhibit auxetic behaviour, but the magnitude of this effect may be the largest reported so far for a mineral. The compression (Vp) and shear (Vs) wave velocity anisotropy is 80% and 85% for the triclinic polytype. At pressures where talc is known be stable in the Earth (up to 5 GPa) the Vp and Vs anisotropy is reduced to about 40% for both velocities, which is still a very high value. Vp is slow parallel to the c-axis and fast perpendicular to it. This remains unchanged with increasing pressure and is observed in both polytypes. The shear wave splitting (difference between fast and slow S-wave velocities) at low pressure has high values in the plane normal to the c-axis, with a maximum near the alow asterisk-axis in the triclinic and the b-axis in the monoclinic polytype. The c-axis is the direction of minimum splitting. The pattern of shear wave splitting does not change significantly with pressure. The volume fraction of talc varies between 11 and 41% for hydrated mantle rocks, but the lack of data on the crystallographic preferred orientation (CPO) precludes a detailed analysis of the impact of talc on seismic anisotropy in subduction zones. However, it is highly likely that CPO can easily develop in zones of deformation due to the platy habit of talc crystals. For random aggregates of talc, the isotropic Vp, Vs and Vp/Vs ratio have significantly lower values than those of antigorite and may explain low-velocity regions in the mantle wedge. Vp/Vs ratios are more complex in anisotropic media because there are fast and slow S-waves, resulting in Vp/Vs1 and Vp/Vs2 ratios for every propagation direction, making interpretation difficult in deformed polycrystalline talc with a CPO. Talc on the subduction plate boundary can strongly influence guided wave velocity as CPO would develop in this region of intense shearing. The very low coefficient of friction (< 0.1) of talc above 100 °C could also explain silent earthquakes at shallow depths (ca 30 km) along the subduction plate boundaries, frequently responsible for tsunami.
ISSN: 0012-821X

hal-00411481
https://hal.archives-ouvertes.fr/hal-00411481
DOI : 10.1016/j.epsl.2008.07.047

Éditeur(s) : HAL CCSD Paris : E. Belin
Résumé : Un pour cent de l'énergie thermique contenue dans la croûte terrestre assurerait les besoins énergétiques de l'humanité pendant 100 000 ans ! Pour récupérer cette énergie aujourd'hui sous-exploitée, on fore dans des conditions toujours plus extrêmes.
ISSN: 0153-4092

hal-00564830
https://hal.archives-ouvertes.fr/hal-00564830

Éditeur(s) : HAL CCSD Elsevier
Résumé : The dense hydrous magnesium silicate called the D phase is the most likely candidate to recycle hydrogen into the lower mantle in subduction zones. As seismology represents the preferred method to detect this mineral in subduction zones, the single crystal elastic tensor has been calculated using first principle methods. A triple cell (View the MathML source) was used to account for an ordered ideal composition of the D phase to lower mantle pressures. The elastic tensor of the mineral at ambient conditions is predicted to be C11 = 387.7, C33 = 287.7, C44 = 100.4, C12 = 108.0, C13 = 51.1, C14 = − 14.6 in GPa with bulk modulus at zero pressure Ko = 163 GPa and a statistical error of about 4.0 GPa for all constants. The pressure derivatives of the elastic constants have been determined to pressure of 80 GPa. Our tensor correctly predicts the published experimental measurements of linear compressibility along the a- and c-axes, the logarithmic pressure derivative of the c/a axial ratio and bulk modulus at zero pressure. It contradicts the experimentally measured elastic tensor reported by (Liu, L.-G., Okamoto, K., Yang, Y.-J., Chen, C.-C., Lin, C.-C., 2004. Elasticity of single-crystal phase D (a dense hydrous magnesium silicate) by Brillouin spectroscopy. Solid State Commun. 132, 517–520), which fails to reproduce the experimental compressibility data. Using the elastic constants and density predicted to 85 GPa, the seismic anisotropy of P- and S-waves has been calculated as a function of pressure. The single crystal has high P-wave velocities and shear wave splitting in the basal plane below 20 GPa. At high pressures, the maximum P-wave velocities have threefold symmetry normal to a-axes in the basal plane, whereas the maximum shear wave splitting is parallel to a-axes with twofold symmetry. The D phase has high Vp and Vs anisotropy at ambient pressure, 17.6% for Vp and 19.9% for Vs. The Vp anisotropy decreases with increasing pressure to about 30 GPa, while it remains constant at 8% from 30 to 85 GPa. The Vs anisotropy decreases to 17% at 20 GPa and then increases to 22% at 85 GPa. The isotropic velocity ratios of S to P (Rs/p), bulk sound to S (Rphi/s) and density to S (Rρ/s) are calculated as a function of pressure. The Rs/p shows very little variation with pressure with low value of 0.6, whereas both Rphi/s and Rρ/s increase with pressure to peak values of 2.8 and 2.0 respectively at about 60 GPa. The presence of the D phase in subducted horizontal ‘stagnant' plates in the circum Pacific could contribute to a number of seismic observations, such as the observed velocity heterogeneity at depths between 500 and 1000 km and the fast S-waves travelling horizontally with horizontal polarization in this depth range. Further the lower density of the D phase compared with anhydrous minerals could influence buoyancy of the hydrated ‘stagnant' slabs. The transformation of the D phase to perovskite plus ferripericlase during thermal annealing may be responsible for horizontal slab seismogenesis.
ISSN: 0012-821X

hal-00406379
https://hal.archives-ouvertes.fr/hal-00406379
DOI : 10.1016/j.epsl.2007.04.053

Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
Thermal diffusivity of synthetic quartz single-crystals and natural polycrystalline aggregates were measured using a modified Angstrom method at ambient pressure and up to 800 degrees C in order to investigate the effect of crystal preferred orientation on thermal diffusivity of quartz rich rocks. The thermal diffusivity tensor of quartz was determined by measuring the thermal diffusivity of an oriented synthetic quartz single-crystal along the [100] and [001] directions. A naturally deformed, fine-grained quartzite mylonite, was used to compare the single crystal properties with aggregate properties. Using the crystal preferred orientations (CPO) measured by the Electron Back Scattered Diffraction (EBSD) method and the measured thermal diffusivity tensor of quartz, the three-dimensional aggregate thermal diffusivity was modelled using volume averaging models. In order to test the validity of these models that are only based on the properties of the constituent minerals, the thermal diffusivity was then measured on oriented cores as a function of temperature, along three orthogonal directions, parallel to the (X-lineation, Y, Z-pole to foliation) structural frame. Both modelled and direct measurement of thermal diffusivity show an anisotropy of thermal diffusivity, heat transport being more effective parallel to Y-direction and less effective parallel to the lineation X-direction. Thermal diffusivities measured in a given direction on the natural rock are lower by less than 10% than the modelled thermal diffusivity in the same direction, showing that rock imperfections have a weak effect on heat transport. In addition, the modelled thermal diffusivity anisotropy based on the characterization of crystal orientations and thermal diffusivity tensor shows a good agreement with measurements in both alpha and beta stability field. This validation of the petrophysical simulation allows for evaluating the 3D thermal diffusivity of quartz rich rocks in different crustal conditions. The 3D thermal diffusivity of five naturally deformed quartzites displaying quartz fabrics expected in different crustal pressure and temperature ranges were simulated. The resulting thermal diffusivity anisotropies of quartzites range between 40% and 10%, depending on temperature, crystallographic fabric patterns and fabric strength. Under crustal conditions, quartzites deformed in the granulite facies display a high thermal diffusivity in the (XZ) foliation plane, whereas quartzites deformed in greenschist facies have highest thermal diffusivity in the (Z) direction normal to the foliation plane.
ISSN: 0040-1951

hal-00413568
https://hal.archives-ouvertes.fr/hal-00413568
DOI : 10.1016/j.tecto.2008.11.006

Éditeur(s) : HAL CCSD Oxford University Press (OUP)
Résumé : International audience
We report on microstructural data obtained by optical microscopy and transmission electron microscopy concerning the crystallographic relationships of serpentine minerals with their host olivine in two contrasting situations. In the first case, mesh-textured lizardite (liz) is developed in a standard 60% serpentinized oceanic harzburgite from the Oman ophiolite where olivine converts to columnar lizardite. The joined columns are perpendicular to the basal plane (001)(liz), corresponding to the pseudofibres observed optically. The plane (001)(liz) is locally parallel to the narrow boundary ol-liz; thus column orientations register the interface of serpentinization. The ol-liz relationships are not strictly topotactic, but reflect preferred cracking orientations in olivine, parallel to (010)(ol). In the second case, antigorite (atg) develops in a rare sample of antigorite schist in a kimberlite from Moses Rock (Colorado Plateau), representative of a suprasubduction-zone mantle wedge. High-resolution transmission electron microscopy (HRTEM) images along [010](atg) show domains of very regular modulation with a 43 center dot 5 A wavelength (m = 17, where m is the number of silicate tetrahedra along the wave), with few defects, indicative of HP-HT antigorite, and also heavily kinked regions as fingerprints of strong tectonic shear. TEM imaging and electron diffraction patterns reveal two topotactic relationships between antigorite and olivine: [100](atg)//[010](ol) and < 100 >(atg)//< 100 >(ol); the planes in contact are (001)(atg)//(100)(ol) and (001)(atg)//(010)(ol), respectively. The [010](atg)//[001](ol) and antigorite lamellae are parallel to the forsterite b-axis. In both cases, the topography of olivine-serpentine interfaces is controlled by open fluid pathways along microcracks oriented according to the anisotropy of the olivine aggregate. In the cases studied, the serpentine aggregate exhibits a preferred orientation inherited from that of the peridotite. These results have some relevance to the seismic anisotropy of serpentinized mantle. Anisotropy of propagation of seismic waves as a result of the olivine fabric is maintained and reinforced with the development of lizardite. Conversely, the development of antigorite produces a trench-parallel fast S-wave polarization and an anisotropy that is lowered at low degrees of serpentinization and then increased with increasing serpentinization.
ISSN: 0022-3530

hal-00456061
https://hal.archives-ouvertes.fr/hal-00456061
DOI : 10.1093/petrology/egp049

Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
Properties of composite materials depend on interatomic phenomena occurring between binder crystals. Experimental information of Atomic Force Microscopy (A.F.M.) is of prime importance; however understanding is helped by molecular modeling. As underlined in Section 1, the present study is able to simulate crystal interfaces in presence of a solution within apertures less than 1 Nanometer at a full atomic scale. Section 2 presents the case study of a gypsum solution between (120) gypsum faces, with related boundary conditions and atomic interactions. Section 3 deals with the mass equilibrium of the solution within interfaces <5 angstrom, using the original Semi Analytical Stochastic Perturbations (SASP) approach. This information becomes in Section 4 the key for explaining the peak of adhesion obtained in A.F.M. around an aperture of 3 A and gives enlightenments on gypsum cohesion. In conclusion, this illustration shows the potentialities of full atomic modeling which could not be attained by any numerical approach at a mesoscopic scale.
ISSN: 0008-8846

hal-00411868
https://hal.archives-ouvertes.fr/hal-00411868
DOI : 10.1016/j.cemconres.2007.09.022

Éditeur(s) : HAL CCSD Springer-Verlag
Résumé : The seismology is the most effective method to explore the Structure of subduction zones to great depth. The distinguishing feature of the mantle in the subduction regions is the presence of hydrated phases, which transport water into the Earth's interior and release it with dramatic local consequences, triggering earthquakes and melting. The seismological detection of these hydrous phases and geo-dynamic interpretation of flow in the hydrous mantle depend on knowledge of the anisotropic elastic properties and the characteristics of the wave propagation in anisotropic media. In this paper we briefly recall the distinguishing features of anisotropic wave propagation and the observable parameters. We suggest the Vp/Vs ratio is a physically sound parameter than can be observed by seismology in anisotropic regions of the Earth, whereas the Poisson's ratio, which is often quoted, is not directly observable and does not correspond to the characteristics of wave propagation in an anisotropic or isotropic medium. We report for the first time the ratios of Vp/Vs1 and Vp/Vs2, where Vs1 is the fastest and Vs2 slowest S-wave velocities of an anisotropic media. We present the current knowledge of the anisotropic seismic properties of hydrous minerals in the upper mantle, transition zone, and lower mantle that are stable along low temperature geotherms associated with subduction, and identify which minerals are likely to influence seismological observations because they have very high volume fractions, or very high anisotropies, or both of these.;In the upper mantle antigorite and talc are exceptionally anisotropic (Vp 71% Vs 68% and Vp 65%, Vs 68%, respectively) and chlorite is also very anisotropic for S-waves (Vp 35%, Vs 76%). Comparatively less anisotropic are hornblende (Vp 27%, Vs 31%), used as proxy for tremolite in subduction zones, and clinohumite (21.8%, Vs 15.9%). Brucite at 4 GPa (Vp 26.5%, Vs 30.9%) and the dense hydrogen magnesium silicate (DHMS) phase A at 9GPa (Vp 9.3%, Vs 17.6%) are the only hydrous minerals stable in the upper mantle that have had their elastic properties measured at in situ mantle pressures. Except for the phase A, all these minerals are more anisotropic than olivine for at least one parameter (Vp, Vs, Vp/Vs1, or Vp/Vs2). In the transition zone the major phases hydrous wadsleyite and ringwoodite C have moderate to weak anisotropies (Vp 16.3%, Vs 16.5%, and Vp 1.9%, Vs 4.4%, respectively). The DHMS Superhydrous B has a moderate anisotropy (Vp 6.9%, Vs 11.6%). At greater depth the DHMS phase D Lit 24 GPa (Vp 10.8%, Vs 18.0%) is the only hydrous phase that can transport hydrogen from the transition zone into the lower mantle. The phase D is more anisotropic for S than P waves like many of the hydrous phases. From these data it is clear that hydrous phases are in general very anisotropic. However, pressure can play a strong role in reducing anisotropy. It is the case for brucite and talc, in which increasing pressure from ambient to 4 GPa reduces the anisotropy by about 50% for both P and S waves. In contrast, the anisotropy of the DHMS phase A does not change significantly with pressure.;Our picture of the seismic anisotropy of hydrated minerals remains incomplete; the elastic properties of many have not been measured even at ambient conditions (e.g., 10 angstrom phase and phase E) or not measured in their true elastic symmetry (e.g., clinochlore). The majority of hydrous minerals have not been measured at high pressure. and none related to hydrated mantle have been measured at elevated temperature. We have shown in the few cases where hydrous minerals have been measured as a function of pressure, that this variable has an important effect oil the velocity distribution and in most cases reduces the degree of anisotropy, hence we Would expect seismic anisotropy to play a key role in the determination of the shallow structure of subduction zones in the upper mantle.
Subduction zone geodynamics

hal-00420893
https://hal.archives-ouvertes.fr/hal-00420893