skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Elastic Thermobarometry
Upon exhumation and cooling, contrasting compressibilities and thermal expansivities induce differential strains (volume mismatches) between a host crystal and its inclusions. These strains can be quantified in situ using Raman spectroscopy or X-ray diffraction. Knowing equations of state and elastic properties of minerals, elastic thermobarometry inverts measured strains to calculate the pressure-temperature conditions under which the stress state was uniform in the host and inclusion. These are commonly interpreted to represent the conditions of inclusion entrapment. Modeling and experiments quantify corrections for inclusion shape, proximity to surfaces, and (most importantly) crystal-axis anisotropy, and they permit accurate application of the more common elastic thermobarometers. New research is exploring the conditions of crystal growth, reaction overstepping, and the magnitudes of differential stresses, as well as inelastic resetting of inclusion and host strain, and potential new thermobarometers for lower-symmetry minerals. ▪ A physics-based method is revolutionizing calculations of metamorphic pressures and temperatures. ▪ Inclusion shape, crystal anisotropy, and proximity to boundaries affect calculations but can be corrected for. ▪ New results are leading petrologists to reconsider pressure-temperature conditions, differential stresses, and thermodynamic equilibrium.  more » « less
Award ID(s):
1918488
PAR ID:
10447188
Author(s) / Creator(s):
; ;
Date Published:
Journal Name:
Annual Review of Earth and Planetary Sciences
Volume:
51
Issue:
1
ISSN:
0084-6597
Page Range / eLocation ID:
331 to 366
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract Current models for elastic geobarometry have been developed with the assumption that the host and/or inclusion minerals are elastically isotropic. This assumption has limited applications of elastic thermobarometry to mineral inclusions contained in cubic quasi‐isotropic host minerals (e.g., garnet). Here, we report a new elastic model that takes into account the anisotropic elastic properties and relative crystallographic orientation (RCO) of a host‐inclusion system where both minerals are noncubic. This anisotropic elastic model can be used for host‐inclusion elastic thermobarometric calculations provided that the RCO and elastic properties of both the host and inclusion are known. We then used this anisotropic elastic model to numerically evaluate the effects of elastic anisotropy and RCO on the strains and stresses developed in a quartz inclusion entrapped in a zircon host after exhumation from known entrapmentP‐Tconditions to roomP‐Tconditions. We conclude that the anisotropic quartz‐in‐zircon elastic model is suitable for elastic thermobarometry and may be widely applicable to crustal rocks. Our results demonstrate that isotropic elastic models cannot be used to determine the entire strain state of an elastically anisotropic inclusion contained in an elastically anisotropic host mineral, and therefore may lead to errors on estimated remnant inclusion pressures. 
    more » « less
  2. Abstract. Inclusion–host elastic thermobarometers are widely used to determine the pressure and temperature (P–T) histories of metamorphic rocks. Complex metamorphic P–T paths can affect the pressures that develop in host–inclusion systems. There are limited experimental studies that investigate how changing P–T conditions may re-equilibrate or “reset” residual pressures of inclusions. To evaluate re-equilibration of the quartz-in-garnet (QuiG) elastic thermobarometer, we performed single-, two-, and three-stage isothermal experiments. In the first stage of the experiments, oxide starting materials hydrothermally crystallised to grow garnet crystals with quartz inclusions between 700 and 800 °C and 1.0 and 3.2 GPa with constant P–T conditions for 48 h. In the second and third stage of the experiments, we isothermally changed pressure by 1.0 to 1.2 GPa for durations up to 38 d. We used Raman spectroscopy to measure strain-induced changes to the 128, 207, and 465 cm−1 Raman bands of quartz inclusions to determine the inclusion pressures (Pinc) and entrapment pressures (Ptrap) at the experimental temperature. The multi-stage experiments show that elasticity primarily controlled changes to Pinc values that occur from Ptrap through quenching to room conditions and that Pinc values measured at room conditions along with elastic modelling can be used to accurately calculate Ptrap. Quartz Pinc values in two-stage experiments re-equilibrated to give Pinc values between P1 and P2. The three-stage isothermal experiments show that the observed changes to inclusion pressures are reversible along different P–T paths to restore the re-equilibrated Pinc values back to their original entrapment isomeke at Ptrap. For rocks that underwent protracted metamorphism along complicated P–T paths, the re-equilibration experiments and viscoelastic calculations show that QuiG may underestimate maximum Ptrap conditions. 
    more » « less
  3. Abstract. The formation of high-pressure oxyhydroxide phases spanned by the components AlOOH–FeOOH–MgSiO2(OH)2 in experiments suggests their capability to retain hydrogen in Earth's lower mantle. Understanding the vibrational properties of high-pressure phases provides the basis for assessing their thermal properties, which are required to compute phase diagrams and physical properties. Vibrational properties can be highly anisotropic, in particular for materials with crystal structures of low symmetry that contain directed structural groups or components. We used nuclear resonant inelastic X-ray scattering (NRIXS) to probe lattice vibrations that involve motions of 57Fe atoms in δ-(Al0.87Fe0.13)OOH single crystals. From the recorded single-crystal NRIXS spectra, we calculated projections of the partial phonon density of states along different crystallographic directions. To describe the anisotropy of central vibrational properties, we define and derive tensors for the partial phonon density of states, the Lamb–Mössbauer factor, the mean kinetic energy per vibrational mode, and the mean force constant of 57Fe atoms. We further show how the anisotropy of the Lamb–Mössbauer factor can be translated into anisotropic displacement parameters for 57Fe atoms and relate our findings on vibrational anisotropy to the crystal structure of δ-(Al,Fe)OOH. As a potential application of single-crystal NRIXS at high pressures, we discuss the evaluation of anisotropic thermal stresses in the context of elastic geobarometry for mineral inclusions. Our results on single crystals of δ-(Al,Fe)OOH demonstrate the sensitivity of NRIXS to vibrational anisotropy and provide an in-depth description of the vibrational behavior of Fe3+ cations in a crystal structure that may motivate future applications of NRIXS to study anisotropic vibrational properties of minerals. 
    more » « less
  4. Abstract Understanding and controlling the development of deformation twins is paramount for engineering strong and stable hexagonal close-packed (HCP) Mg alloys. Actual twins are often irregular in boundary morphology and twin crystallography, deviating from the classical picture commonly used in theory and simulation. In this work, the elastic strains and stresses around irregular twins are examined both experimentally and computationally to gain insight into how twins develop and the microstructural features that influence their development. A nanoprecession electron diffraction (N-PED) technique is used to measure the elastic strains within and around a $$\left\{ {10\overline{1}2} \right\}$$ 10 1 ¯ 2 tensile twin in AZ31B Mg alloy with nm scale resolution. A full-field elasto-viscoplastic fast Fourier transform (EVP-FFT) crystal plasticity model of the same sub-grain and irregular twin structure is employed to understand and interpret the measured elastic strain fields. The calculations predict spatially resolved elastic strain fields in good agreement with the measurement, as well as all the stress components and the dislocation density fields generated by the twin, which are not easily obtainable from the experiment. The model calculations find that neighboring twins, several twin thicknesses apart, have little influence on the twin-tip micromechanical fields. Furthermore, this work reveals that irregularity in the twin-tip shape has a negligible effect on the development of the elastic strains around and inside the twin. Importantly, the major contributor to these micromechanical fields is the alignment of the twinning shear direction with the twin boundary. 
    more » « less
  5. Trabecular bone is composed of organized mineralized collagen fibrils, which results in heterogeneous and anisotropic mechanical properties at the tissue level. Recently, biomechanical models computing stresses and strains in trabecular bone have indicated a significant effect of tissue heterogeneity on predicted stresses and strains. How-ever, the effect of the tissue-level mechanical anisotropy on the trabecular bone biomechanical response is unknown. Here, a computational method was established to automatically impose physiologically relevant orientation inherent in trabecular bone tissue on a trabecular bone microscale finite element model. Spatially varying tissue-level anisotropic elastic properties were then applied according to the bone mineral density and the local tissue orientation. The model was used to test the hypothesis that anisotropy in both homogeneous and heterogeneous models alters the predicted distribution of stress invariants. Linear elastic finite element computations were performed on a 3 mm cube model isolated from a microcomputed tomography scan of human trabecular bone from the distal femur. Hydrostatic stress and von Mises equivalent stress were recorded at every element, and the distributions of these values were analyzed. Anisotropy reduced the range of hydrostatic stress in both tension and compression more strongly than the associated increase in von Mises equivalent stress. The effect of anisotropy was independent of the spatial redistribution high compressive stresses due to tissue elastic heterogeneity. Tissue anisotropy and heterogeneity are likely important mechanisms to protect bone from failure and should be included for stress analyses in trabecular bone. 
    more » « less