Publications
Published
This is a list of the peer-reviewed publications on international journals that I have authored and co-authored. For a full and updated list of publications and citations visit my profile on Google Scholar and Scopus.
2025
17.
Gilio M; Angel R J; Mazzucchelli M L; Alvaro M
The pressure-induced stiffening of quartz and its effect on the strain-stress relationship. Implications for elastic geobarometry Journal Article
In: Lithos, vol. 514-515, pp. 108210, 2025, ISSN: 0024-4937.
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, QuiG, Raman thermobarometry
@article{gilio_pressure-induced_2025,
title = {The pressure-induced stiffening of quartz and its effect on the strain-stress relationship. Implications for elastic geobarometry},
author = {Mattia Gilio and Ross J. Angel and Mattia L. Mazzucchelli and Matteo Alvaro},
url = {https://www.sciencedirect.com/science/article/pii/S0024493725002695},
doi = {10.1016/j.lithos.2025.108210},
issn = {0024-4937},
year = {2025},
date = {2025-11-01},
urldate = {2025-11-01},
journal = {Lithos},
volume = {514-515},
pages = {108210},
abstract = {Elastic geobarometry allows us to estimate the pressure and temperature conditions of the entrapment of a mineral within a host from the residual pressure of the inclusion. The residual pressure is often calculated as the mean normal stress by applying the elastic tensor (Cij) measured at ambient pressure (1 bar) to the measured inclusion strains. While neglecting the pressure dependence of the Cij is a reasonable assumption for stiffer minerals such as olivine and zircon, this method may induce significant errors in the calculation of inclusion pressures and hence entrapment conditions of softer minerals like quartz trapped in stiff hosts such as garnets. Here we describe a method to calculate stress from the measured strains of quartz inclusions by considering the progressive stiffening of the elastic tensor of quartz with pressure, and discuss its implications for elastic geobarometry. Additionally, we extend this method to the stiffer olivine and zircon to emphasise its broader utility to ultra-high-pressure and temperature rocks and inclusions in diamonds. The changes in inclusion pressures for these latter two minerals are, however, not as significant as those in quartz, and it can be assumed that the elastic tensor remains invariant with pressure for most geological cases. A MATLAB code is provided with a comprehensive guide to calculate the inclusion pressures accounting for the change in the elastic tensor with pressure for quartz, olivine, and zircon. This code will be implemented within future updates of the online platform for elastic geothermobarometry EntraPT (https://www.mineralogylab.com/software/entrapt).},
keywords = {Elastic thermobarometry, Elasticity, QuiG, Raman thermobarometry},
pubstate = {published},
tppubtype = {article}
}
Elastic geobarometry allows us to estimate the pressure and temperature conditions of the entrapment of a mineral within a host from the residual pressure of the inclusion. The residual pressure is often calculated as the mean normal stress by applying the elastic tensor (Cij) measured at ambient pressure (1 bar) to the measured inclusion strains. While neglecting the pressure dependence of the Cij is a reasonable assumption for stiffer minerals such as olivine and zircon, this method may induce significant errors in the calculation of inclusion pressures and hence entrapment conditions of softer minerals like quartz trapped in stiff hosts such as garnets. Here we describe a method to calculate stress from the measured strains of quartz inclusions by considering the progressive stiffening of the elastic tensor of quartz with pressure, and discuss its implications for elastic geobarometry. Additionally, we extend this method to the stiffer olivine and zircon to emphasise its broader utility to ultra-high-pressure and temperature rocks and inclusions in diamonds. The changes in inclusion pressures for these latter two minerals are, however, not as significant as those in quartz, and it can be assumed that the elastic tensor remains invariant with pressure for most geological cases. A MATLAB code is provided with a comprehensive guide to calculate the inclusion pressures accounting for the change in the elastic tensor with pressure for quartz, olivine, and zircon. This code will be implemented within future updates of the online platform for elastic geothermobarometry EntraPT (https://www.mineralogylab.com/software/entrapt).
16.
Gonzalez J P; Mazzucchelli M L; Thomas J B; Angel R J; Darling R S; Atchinson K X; Gilio M; Alvaro M
Elastic thermobarometry of natural and experimental quartz inclusions in garnet (QuiG) under tension Journal Article
In: Contributions to Mineralogy and Petrology, vol. 180, no. 10, pp. 70, 2025, ISSN: 1432-0967.
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, Garnet, Quartz, QuiG, Raman thermobarometry
@article{gonzalez_elastic_2025,
title = {Elastic thermobarometry of natural and experimental quartz inclusions in garnet (QuiG) under tension},
author = {Joseph P. Gonzalez and Mattia L. Mazzucchelli and Jay B. Thomas and Ross J. Angel and Robert S. Darling and Khi X. Atchinson and Mattia Gilio and Matteo Alvaro},
url = {https://doi.org/10.1007/s00410-025-02252-2},
doi = {10.1007/s00410-025-02252-2},
issn = {1432-0967},
year = {2025},
date = {2025-09-01},
urldate = {2025-09-01},
journal = {Contributions to Mineralogy and Petrology},
volume = {180},
number = {10},
pages = {70},
abstract = {Elastic thermobarometry has been rarely applied to quartz inclusions entrapped in garnet (QuiG) in granulite and igneous terranes, in part, because there is uncertainty about the reliability of the thermobarometric results arising from the quartz inclusions being subject to tensile strain and stress when examined at room conditions. Here, we present QuiG results from high-temperature metapelites from the Adirondacks, NY, USA and piston-cylinder experiments that give insight into the deformation behavior of quartz inclusions under tension. Measured remnant pressures (Pinc) of experimental and natural samples calculated using the quartz phonon mode Grüneisen tensor are too tensile with respect to the expected Pinc values based on experimental and petrologic constraints. We show that these discrepancies are not related to non-elastic deformation nor inaccuracies in the quartz equation of state. Evaluation of previous density functional theory (DFT) results shows that the structural response of quartz is non-linear with increasing tensile strain. Therefore, because the available quartz phonon mode Grüneisen tensor was determined with a linear fit optimized for compressive strains, obtained tensile strains using this tensor are too large in magnitude. Pinc values obtained using the hydrostatic calibrations of the 128 and 464 cm−1 peaks have better agreement with the expected values and return entrapment conditions that are consistent with petrologically constrained or known experimental pressures. Pinc values obtained through hydrostatic calibrations must nonetheless be treated with caution because the behavior of Raman phonon modes under tension has not been calibrated experimentally.},
keywords = {Elastic thermobarometry, Elasticity, Garnet, Quartz, QuiG, Raman thermobarometry},
pubstate = {published},
tppubtype = {article}
}
Elastic thermobarometry has been rarely applied to quartz inclusions entrapped in garnet (QuiG) in granulite and igneous terranes, in part, because there is uncertainty about the reliability of the thermobarometric results arising from the quartz inclusions being subject to tensile strain and stress when examined at room conditions. Here, we present QuiG results from high-temperature metapelites from the Adirondacks, NY, USA and piston-cylinder experiments that give insight into the deformation behavior of quartz inclusions under tension. Measured remnant pressures (Pinc) of experimental and natural samples calculated using the quartz phonon mode Grüneisen tensor are too tensile with respect to the expected Pinc values based on experimental and petrologic constraints. We show that these discrepancies are not related to non-elastic deformation nor inaccuracies in the quartz equation of state. Evaluation of previous density functional theory (DFT) results shows that the structural response of quartz is non-linear with increasing tensile strain. Therefore, because the available quartz phonon mode Grüneisen tensor was determined with a linear fit optimized for compressive strains, obtained tensile strains using this tensor are too large in magnitude. Pinc values obtained using the hydrostatic calibrations of the 128 and 464 cm−1 peaks have better agreement with the expected values and return entrapment conditions that are consistent with petrologically constrained or known experimental pressures. Pinc values obtained through hydrostatic calibrations must nonetheless be treated with caution because the behavior of Raman phonon modes under tension has not been calibrated experimentally.
2024
15.
Gonzalez J P; Thomas J B; Mazzucchelli M L; Angel R J; Alvaro M
First evaluation of stiff-in-soft host–inclusion systems: experimental synthesis of zircon inclusions in quartz crystals Journal Article
In: Contributions to Mineralogy and Petrology, vol. 179, no. 2, pp. 13, 2024, ISSN: 0010-7999, 1432-0967.
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, Experiments, high-pressure, high-temperature, Quartz, Raman thermobarometry, Zircon
@article{gonzalez_first_2024,
title = {First evaluation of stiff-in-soft host–inclusion systems: experimental synthesis of zircon inclusions in quartz crystals},
author = {Joseph P. Gonzalez and Jay B. Thomas and Mattia L. Mazzucchelli and Ross J. Angel and Matteo Alvaro},
url = {https://link.springer.com/10.1007/s00410-023-02081-1},
doi = {10.1007/s00410-023-02081-1},
issn = {0010-7999, 1432-0967},
year = {2024},
date = {2024-02-01},
urldate = {2024-02-01},
journal = {Contributions to Mineralogy and Petrology},
volume = {179},
number = {2},
pages = {13},
abstract = {Quartz crystals with zircon inclusions were synthesized using a piston-cylinder apparatus to experimentally evaluate the use of inclusions in “soft” host minerals for elastic thermobarometry. Synthesized zircon inclusion strains and, therefore, pressures (Pinc) were measured using Raman spectroscopy and then compared with the expected inclusion strains and pressures calculated from elastic models. Measured inclusion strains and inclusion pressures are systematically more tensile than the expected values and, thus, re-calculated entrapment pressures are overestimated. These discrepancies are not caused by analytical biases or assumptions in the elastic models and strain calculations. Analysis shows that inclusion strain discrepancies progressively decrease with decreasing experimental temperature in the α-quartz field. This behavior is consistent with inelastic deformation of the host–inclusion pairs induced by the development of large differential stresses during experimental cooling. Therefore, inclusion strains are more reliable for inclusions trapped at lower temperature conditions in the α-quartz field where there is less inelastic deformation of the host–inclusion systems. On the other hand, entrapment isomekes of zircon inclusions entrapped in the β-quartz stability field plot along the α–β quartz phase boundary, suggesting that the inclusion strains were mechanically reset at the phase boundary during experimental cooling and decompression. Therefore, inclusions contained in soft host minerals can be used for elastic thermobarometry and inclusions contained in β-quartz may provide constraints on the P–T at which the host–inclusion system crossed the phase boundary during exhumation.},
keywords = {Elastic thermobarometry, Elasticity, Experiments, high-pressure, high-temperature, Quartz, Raman thermobarometry, Zircon},
pubstate = {published},
tppubtype = {article}
}
Quartz crystals with zircon inclusions were synthesized using a piston-cylinder apparatus to experimentally evaluate the use of inclusions in “soft” host minerals for elastic thermobarometry. Synthesized zircon inclusion strains and, therefore, pressures (Pinc) were measured using Raman spectroscopy and then compared with the expected inclusion strains and pressures calculated from elastic models. Measured inclusion strains and inclusion pressures are systematically more tensile than the expected values and, thus, re-calculated entrapment pressures are overestimated. These discrepancies are not caused by analytical biases or assumptions in the elastic models and strain calculations. Analysis shows that inclusion strain discrepancies progressively decrease with decreasing experimental temperature in the α-quartz field. This behavior is consistent with inelastic deformation of the host–inclusion pairs induced by the development of large differential stresses during experimental cooling. Therefore, inclusion strains are more reliable for inclusions trapped at lower temperature conditions in the α-quartz field where there is less inelastic deformation of the host–inclusion systems. On the other hand, entrapment isomekes of zircon inclusions entrapped in the β-quartz stability field plot along the α–β quartz phase boundary, suggesting that the inclusion strains were mechanically reset at the phase boundary during experimental cooling and decompression. Therefore, inclusions contained in soft host minerals can be used for elastic thermobarometry and inclusions contained in β-quartz may provide constraints on the P–T at which the host–inclusion system crossed the phase boundary during exhumation.
2023
14.
Angel R J; Mazzucchelli M L; Musiyachenko K A; Nestola F; Alvaro M
Elasticity of mixtures and implications for piezobarometry of mixed-phase inclusions Journal Article
In: European Journal of Mineralogy, vol. 35, no. 4, pp. 461–478, 2023, ISSN: 0935-1221, (Publisher: Copernicus GmbH).
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity
@article{angel_elasticity_2023,
title = {Elasticity of mixtures and implications for piezobarometry of mixed-phase inclusions},
author = {Ross J. Angel and Mattia L. Mazzucchelli and Kira A. Musiyachenko and Fabrizio Nestola and Matteo Alvaro},
url = {https://ejm.copernicus.org/articles/35/461/2023/},
doi = {10.5194/ejm-35-461-2023},
issn = {0935-1221},
year = {2023},
date = {2023-07-01},
urldate = {2023-07-01},
journal = {European Journal of Mineralogy},
volume = {35},
number = {4},
pages = {461–478},
abstract = {Elastic thermobarometry (or piezobarometry) is the process of determining the P (pressure) and T (temperature) of entrapment of inclusions from their pressure, stress or strain measured when their host mineral is at room conditions. The methods and software used for piezobarometry are currently restricted to inclusions consisting of single phases. In this contribution we describe the theory of the elasticity of mixtures of different phases and combine it with the existing isotropic analysis of the elastic interactions between single-phase inclusions and their hosts to calculate the inclusion pressures of mixed-phase inclusions. The analysis shows that the reliability of calculated entrapment conditions for mixed-phase inclusions, including those containing fluid plus minerals, depends in a complex way upon the contrasts between the elastic properties of the host and the phases in the inclusion. The methods to calculate the entrapment conditions of mixed-phase inclusions have been incorporated into the EosFit7c program (version 7.6) that is available as freeware from http://www.rossangel.net.},
note = {Publisher: Copernicus GmbH},
keywords = {Elastic thermobarometry, Elasticity},
pubstate = {published},
tppubtype = {article}
}
Elastic thermobarometry (or piezobarometry) is the process of determining the P (pressure) and T (temperature) of entrapment of inclusions from their pressure, stress or strain measured when their host mineral is at room conditions. The methods and software used for piezobarometry are currently restricted to inclusions consisting of single phases. In this contribution we describe the theory of the elasticity of mixtures of different phases and combine it with the existing isotropic analysis of the elastic interactions between single-phase inclusions and their hosts to calculate the inclusion pressures of mixed-phase inclusions. The analysis shows that the reliability of calculated entrapment conditions for mixed-phase inclusions, including those containing fluid plus minerals, depends in a complex way upon the contrasts between the elastic properties of the host and the phases in the inclusion. The methods to calculate the entrapment conditions of mixed-phase inclusions have been incorporated into the EosFit7c program (version 7.6) that is available as freeware from http://www.rossangel.net.
13.
Kohn M J; Mazzucchelli M L; Alvaro M
Elastic Thermobarometry Journal Article
In: Annual Review of Earth and Planetary Sciences, vol. 51, no. 1, 2023, (_eprint: https://doi.org/10.1146/annurev-earth-031621-112720).
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, Raman thermobarometry
@article{kohn_elastic_2023,
title = {Elastic Thermobarometry},
author = {Matthew J. Kohn and Mattia L. Mazzucchelli and Matteo Alvaro},
url = {https://doi.org/10.1146/annurev-earth-031621-112720},
doi = {10.1146/annurev-earth-031621-112720},
year = {2023},
date = {2023-01-01},
urldate = {2023-01-01},
journal = {Annual Review of Earth and Planetary Sciences},
volume = {51},
number = {1},
abstract = {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. Expected final online publication date for the Annual Review of Earth and Planetary Sciences, Volume 51 is May 2023. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.},
note = {_eprint: https://doi.org/10.1146/annurev-earth-031621-112720},
keywords = {Elastic thermobarometry, Elasticity, Raman thermobarometry},
pubstate = {published},
tppubtype = {article}
}
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. Expected final online publication date for the Annual Review of Earth and Planetary Sciences, Volume 51 is May 2023. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
2022
12.
Angel R J; Gilio M; Mazzucchelli M; Alvaro M
Garnet EoS: a critical review and synthesis Journal Article
In: Contributions to Mineralogy and Petrology, vol. 177, no. 5, pp. 54, 2022, ISSN: 1432-0967.
Abstract | Links | BibTeX | Tags: Crystallography, Elastic thermobarometry, Elasticity, Garnet, Single-crystal X-ray diffraction, thermodynamics
@article{angel_garnet_2022,
title = {Garnet EoS: a critical review and synthesis},
author = {Ross J. Angel and Mattia Gilio and Mattia Mazzucchelli and Matteo Alvaro},
url = {https://doi.org/10.1007/s00410-022-01918-5},
doi = {10.1007/s00410-022-01918-5},
issn = {1432-0967},
year = {2022},
date = {2022-05-01},
urldate = {2022-05-01},
journal = {Contributions to Mineralogy and Petrology},
volume = {177},
number = {5},
pages = {54},
abstract = {All available volume and elasticity data for the garnet end-members grossular, pyrope, almandine and spessartine have been re-evaluated for both internal consistency and for consistency with experimentally measured heat capacities. The consistent data were then used to determine the parameters of third-order Birch–Murnaghan EoS to describe the isothermal compression at 298 K and a Mie–Grüneisen–Debye thermal-pressure EoS to describe the PVT behaviour. In a full Mie–Grüneisen–Debye EoS, the variation of the thermal Grüneisen parameter with volume is defined as $$textbackslashgamma = textbackslashgamma _0textbackslashleft(textbackslashfracVV_0textbackslashright)textasciicircumq$$. For grossular and pyrope garnets, there is sufficient data to refine q which has a value of q = 0.8(2) for both garnets. For other garnets, the data do not constrain the value of q and we therefore refined a q-compromise version of the Mie–Grüneisen–Debye EoS in which both γ/V and the Debye temperature θ D are held constant at all P and T, leading to $$textbackslashleft( textbackslashraise0.7extextbackslashhbox$textbackslashpartial C_textbackslashtextV $ textbackslash!textbackslashmathordtextbackslashleft/ textbackslashvphantom textbackslashpartial C_textbackslashtextV textbackslashpartial Ptextbackslashright.textbackslashkern-textbackslashnulldelimiterspace textbackslash!textbackslashlower0.7extextbackslashhbox$textbackslashpartial P$ textbackslashright)_textbackslashtextT = 0$$, parallel isochors and constant isothermal bulk modulus along an isochor. Final refined parameters for the q-compromise Mie–Grüneisen–Debye EoS are: PyropeAlmandineSpessartineGrossularV0 (cm3/mol)a113.13115.25117.92125.35K0T (GPa)169.3 (3)174.6 (4)177.57 (6)167.0 (2)$$Ktextasciicircumtextbackslashprime_0textbackslashtextT$$4.55 (5)5.41 (13)4.6 (3)5.07 (8)θ D0771 (28)862 (22)860 (35)750 (13)γ01.185 (12)1.16 (fixed)1.18 (3)1.156 (6)for pyrope and grossular, the two versions of the Mie–Grüneisen–Debye EoS predict indistinguishable properties over the metamorphic pressure and temperature range, and the same properties as the EoS based on experimental heat capacities. The biggest change from previously published EoS is for almandine for which the new EoS predicts geologically reasonable entrapment conditions for zircon inclusions in almandine-rich garnets.},
keywords = {Crystallography, Elastic thermobarometry, Elasticity, Garnet, Single-crystal X-ray diffraction, thermodynamics},
pubstate = {published},
tppubtype = {article}
}
All available volume and elasticity data for the garnet end-members grossular, pyrope, almandine and spessartine have been re-evaluated for both internal consistency and for consistency with experimentally measured heat capacities. The consistent data were then used to determine the parameters of third-order Birch–Murnaghan EoS to describe the isothermal compression at 298 K and a Mie–Grüneisen–Debye thermal-pressure EoS to describe the PVT behaviour. In a full Mie–Grüneisen–Debye EoS, the variation of the thermal Grüneisen parameter with volume is defined as $$textbackslashgamma = textbackslashgamma _0textbackslashleft(textbackslashfracVV_0textbackslashright)textasciicircumq$$. For grossular and pyrope garnets, there is sufficient data to refine q which has a value of q = 0.8(2) for both garnets. For other garnets, the data do not constrain the value of q and we therefore refined a q-compromise version of the Mie–Grüneisen–Debye EoS in which both γ/V and the Debye temperature θ D are held constant at all P and T, leading to $$textbackslashleft( textbackslashraise0.7extextbackslashhbox$textbackslashpartial C_textbackslashtextV $ textbackslash!textbackslashmathordtextbackslashleft/ textbackslashvphantom textbackslashpartial C_textbackslashtextV textbackslashpartial Ptextbackslashright.textbackslashkern-textbackslashnulldelimiterspace textbackslash!textbackslashlower0.7extextbackslashhbox$textbackslashpartial P$ textbackslashright)_textbackslashtextT = 0$$, parallel isochors and constant isothermal bulk modulus along an isochor. Final refined parameters for the q-compromise Mie–Grüneisen–Debye EoS are: PyropeAlmandineSpessartineGrossularV0 (cm3/mol)a113.13115.25117.92125.35K0T (GPa)169.3 (3)174.6 (4)177.57 (6)167.0 (2)$$Ktextasciicircumtextbackslashprime_0textbackslashtextT$$4.55 (5)5.41 (13)4.6 (3)5.07 (8)θ D0771 (28)862 (22)860 (35)750 (13)γ01.185 (12)1.16 (fixed)1.18 (3)1.156 (6)for pyrope and grossular, the two versions of the Mie–Grüneisen–Debye EoS predict indistinguishable properties over the metamorphic pressure and temperature range, and the same properties as the EoS based on experimental heat capacities. The biggest change from previously published EoS is for almandine for which the new EoS predicts geologically reasonable entrapment conditions for zircon inclusions in almandine-rich garnets.
2021
11.
Angel R; Mazzucchelli M; Gonzalez-Platas J; Alvaro M
A self-consistent approach to describe unit-cell-parameter and volume variations with pressure and temperature Journal Article
In: Journal of Applied Crystallography, vol. 54, no. 6, pp. 1621–1630, 2021, ISSN: 1600-5767.
Abstract | Links | BibTeX | Tags: Crystallography, Elastic anisotropy, Elastic thermobarometry, Elasticity, thermodynamics
@article{angel_self-consistent_2021,
title = {A self-consistent approach to describe unit-cell-parameter and volume variations with pressure and temperature},
author = {R. Angel and M. Mazzucchelli and J. Gonzalez-Platas and M. Alvaro},
doi = {10.1107/S1600576721009092},
issn = {1600-5767},
year = {2021},
date = {2021-12-01},
urldate = {2021-12-01},
journal = {Journal of Applied Crystallography},
volume = {54},
number = {6},
pages = {1621--1630},
abstract = {A method is presented for the self-consistent description of the variations of unit-cell parameters of crystals with pressure and temperature.},
keywords = {Crystallography, Elastic anisotropy, Elastic thermobarometry, Elasticity, thermodynamics},
pubstate = {published},
tppubtype = {article}
}
A method is presented for the self-consistent description of the variations of unit-cell parameters of crystals with pressure and temperature.
10.
Mazzucchelli M L; Angel R J; Alvaro M
EntraPT: An online platform for elastic geothermobarometry Journal Article
In: American Mineralogist, vol. 106, no. 5, pp. 830–837, 2021, ISSN: 0003-004X.
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, Matlab, Raman thermobarometry, software development
@article{mazzucchelli_entrapt_2021,
title = {EntraPT: An online platform for elastic geothermobarometry},
author = {Mattia Luca Mazzucchelli and Ross John Angel and Matteo Alvaro},
url = {https://doi.org/10.2138/am-2021-7693CCBYNCND},
doi = {10.2138/am-2021-7693CCBYNCND},
issn = {0003-004X},
year = {2021},
date = {2021-05-01},
urldate = {2021-05-01},
journal = {American Mineralogist},
volume = {106},
number = {5},
pages = {830--837},
abstract = {EntraPT is a web-based application for elastic geobarometry freely accessible at the “Fiorenzo Mazzi” experimental mineralogy lab website (http://www.mineralogylab.com/software/). It provides an easy-to-use tool to calculate the entrapment conditions of inclusions, with error propagation, from the residual strain measured in mineral inclusions. EntraPT establishes a method and a workflow to import and analyze the measured residual strains, correctly calculates the mean stress in the inclusions, computes the entrapment isomekes with uncertainty estimation, and visualizes all the results in relevant graphs. It enables the user to avoid the many possible errors that can arise from manual handling of the data and from the numerous steps required in geobarometry calculations. All of the data, parameters, and settings are stored in a consistent format and can be exported as project files and spreadsheets, and imported back to EntraPT for further analysis. This allows researchers to store and/or share their data easily, making the checking and the comparison of data and results reliable. EntraPT is an online tool that does not require any download and/or installation, and it will be updated in the future with new functionalities made available from advances in the development of elastic geobarometry.},
keywords = {Elastic thermobarometry, Elasticity, Matlab, Raman thermobarometry, software development},
pubstate = {published},
tppubtype = {article}
}
EntraPT is a web-based application for elastic geobarometry freely accessible at the “Fiorenzo Mazzi” experimental mineralogy lab website (http://www.mineralogylab.com/software/). It provides an easy-to-use tool to calculate the entrapment conditions of inclusions, with error propagation, from the residual strain measured in mineral inclusions. EntraPT establishes a method and a workflow to import and analyze the measured residual strains, correctly calculates the mean stress in the inclusions, computes the entrapment isomekes with uncertainty estimation, and visualizes all the results in relevant graphs. It enables the user to avoid the many possible errors that can arise from manual handling of the data and from the numerous steps required in geobarometry calculations. All of the data, parameters, and settings are stored in a consistent format and can be exported as project files and spreadsheets, and imported back to EntraPT for further analysis. This allows researchers to store and/or share their data easily, making the checking and the comparison of data and results reliable. EntraPT is an online tool that does not require any download and/or installation, and it will be updated in the future with new functionalities made available from advances in the development of elastic geobarometry.
2020
9.
Morganti S; Mazzucchelli M L; Alvaro M; Reali A
A numerical application of the Eshelby theory for geobarometry of non-ideal host-inclusion systems Journal Article
In: Meccanica, pp. 1–14, 2020, ISSN: 0025-6455.
Abstract | Links | BibTeX | Tags: Elastic anisotropy, Elastic thermobarometry, Elasticity, FEM, Finite element method, Mechanics
@article{Morganti2020,
title = {A numerical application of the Eshelby theory for geobarometry of non-ideal host-inclusion systems},
author = {S. Morganti and Mattia Luca Mazzucchelli and M. Alvaro and A. Reali},
url = {http://link.springer.com/10.1007/s11012-020-01135-z},
doi = {10.1007/s11012-020-01135-z},
issn = {0025-6455},
year = {2020},
date = {2020-02-01},
urldate = {2020-02-01},
journal = {Meccanica},
pages = {1--14},
abstract = {In the complex geodynamic processes occurring at convergent plate margins, rocks can be subducted at depth into the Earth experiencing metamorphism. A mineral inhomogeneity entrapped into another mineral, after exhumation to the Earth surface, will exhibit stress and strain fields different from those of the host because of the different thermoelastic properties. In the present paper, we propose a finite-element-based approach to determine the Eshelby and the relaxations tensors for any morphology of the inhomogeneity and for any crystallographic symmetry of the host. The proposed procedure can be directly applied in the framework of elastic geobarometry to estimate, on the basis of the Eshelby theory, the entrapment conditions (pressure and temperature) from the residual strain field measured in the inhomogeneity. This aspect represents a step forward to currently available models for geobarometry allowing the investigation of complex morphologies of the inhomogeneity in systems with general material anisotropy. We validate the proposed approach versus Eshelby analytical solutions available for spherical and ellipsoidal inclusions and we show the application to a real geological case of high pressure metamorphic rocks.},
keywords = {Elastic anisotropy, Elastic thermobarometry, Elasticity, FEM, Finite element method, Mechanics},
pubstate = {published},
tppubtype = {article}
}
In the complex geodynamic processes occurring at convergent plate margins, rocks can be subducted at depth into the Earth experiencing metamorphism. A mineral inhomogeneity entrapped into another mineral, after exhumation to the Earth surface, will exhibit stress and strain fields different from those of the host because of the different thermoelastic properties. In the present paper, we propose a finite-element-based approach to determine the Eshelby and the relaxations tensors for any morphology of the inhomogeneity and for any crystallographic symmetry of the host. The proposed procedure can be directly applied in the framework of elastic geobarometry to estimate, on the basis of the Eshelby theory, the entrapment conditions (pressure and temperature) from the residual strain field measured in the inhomogeneity. This aspect represents a step forward to currently available models for geobarometry allowing the investigation of complex morphologies of the inhomogeneity in systems with general material anisotropy. We validate the proposed approach versus Eshelby analytical solutions available for spherical and ellipsoidal inclusions and we show the application to a real geological case of high pressure metamorphic rocks.
8.
Campomenosi N; Mazzucchelli M L; Mihailova B D; Angel R J; Alvaro M
Using polarized Raman spectroscopy to study the stress gradient in mineral systems with anomalous birefringence Journal Article
In: Contributions to Mineralogy and Petrology, vol. 175, no. 2, pp. 1–16, 2020, ISSN: 14320967.
Abstract | Links | BibTeX | Tags: Crystallography, Elastic anisotropy, Elasticity, Raman spectroscopy, Stress
@article{Campomenosi2020,
title = {Using polarized Raman spectroscopy to study the stress gradient in mineral systems with anomalous birefringence},
author = {N. Campomenosi and Mattia Luca Mazzucchelli and B. D. Mihailova and Ross John Angel and Matteo Alvaro},
url = {https://doi.org/10.1007/s00410-019-1651-x},
doi = {10.1007/s00410-019-1651-x},
issn = {14320967},
year = {2020},
date = {2020-02-01},
urldate = {2020-02-01},
journal = {Contributions to Mineralogy and Petrology},
volume = {175},
number = {2},
pages = {1--16},
abstract = {Polarized Raman spectroscopy was applied to garnet hosts which exhibit anomalous birefringence around inclusions of zircon and quartz to elucidate the spatial distribution of the anisotropic strain fields in the vicinity of the host-inclusion boundary. We show that there is a direct relationship between the stress-induced birefringence and the Raman scattering generated by the fully symmetric phonon modes (the A1g modes in cubic crystals). Our experimental results coupled with selected finite element models show that the ratio between the measured Raman peak intensity collected in cross and parallel polarized scattering geometries of totally symmetric modes represents a useful tool to constrain the radial stress profile in the host around the inclusions. Further, we demonstrate how group-theoretical considerations and tensor analysis of the morphic effect (external-field-induced change of the symmetry) on the phonons and the optical properties of the host can help to derive useful information on the symmetry of the stress field. Finally, we show experimentally that, under the same amount of applied stress, this approach is more sensitive than the commonly used approach of measuring differences in phonon frequencies and provides better opportunities to map the spatial variations of strain. This approach is an alternative technique to study structural phenomena associated with anomalous birefringence in host crystals surrounding stressed inclusions and could be applied to other systems in which similar optical effects are observed.},
keywords = {Crystallography, Elastic anisotropy, Elasticity, Raman spectroscopy, Stress},
pubstate = {published},
tppubtype = {article}
}
Polarized Raman spectroscopy was applied to garnet hosts which exhibit anomalous birefringence around inclusions of zircon and quartz to elucidate the spatial distribution of the anisotropic strain fields in the vicinity of the host-inclusion boundary. We show that there is a direct relationship between the stress-induced birefringence and the Raman scattering generated by the fully symmetric phonon modes (the A1g modes in cubic crystals). Our experimental results coupled with selected finite element models show that the ratio between the measured Raman peak intensity collected in cross and parallel polarized scattering geometries of totally symmetric modes represents a useful tool to constrain the radial stress profile in the host around the inclusions. Further, we demonstrate how group-theoretical considerations and tensor analysis of the morphic effect (external-field-induced change of the symmetry) on the phonons and the optical properties of the host can help to derive useful information on the symmetry of the stress field. Finally, we show experimentally that, under the same amount of applied stress, this approach is more sensitive than the commonly used approach of measuring differences in phonon frequencies and provides better opportunities to map the spatial variations of strain. This approach is an alternative technique to study structural phenomena associated with anomalous birefringence in host crystals surrounding stressed inclusions and could be applied to other systems in which similar optical effects are observed.
2018
7.
Campomenosi N; Mazzucchelli M L; Mihailova B; Scambelluri M; Angel R J; Nestola F; Reali A; Alvaro M
How geometry and anisotropy affect residual strain in host-inclusion systems: Coupling experimental and numerical approaches Journal Article
In: American Mineralogist, vol. 103, no. 12, pp. 2032–2035, 2018, ISSN: 0003-004X.
Links | BibTeX | Tags: Elastic anisotropy, Elastic thermobarometry, Elasticity, Experiments, Raman spectroscopy
@article{Campomenosi2018,
title = {How geometry and anisotropy affect residual strain in host-inclusion systems: Coupling experimental and numerical approaches},
author = {Nicola Campomenosi and Mattia Luca Mazzucchelli and Boriana Mihailova and Marco Scambelluri and Ross John Angel and Fabrizio Nestola and Alessandro Reali and Matteo Alvaro},
url = {https://pubs.geoscienceworld.org/msa/ammin/article/103/12/2032/567206/How-geometry-and-anisotropy-affect-residual-strain},
doi = {10.2138/am-2018-6700CCBY},
issn = {0003-004X},
year = {2018},
date = {2018-12-01},
urldate = {2018-12-01},
journal = {American Mineralogist},
volume = {103},
number = {12},
pages = {2032--2035},
keywords = {Elastic anisotropy, Elastic thermobarometry, Elasticity, Experiments, Raman spectroscopy},
pubstate = {published},
tppubtype = {article}
}
6.
Mazzucchelli M L; Burnley P; Angel R J; Morganti S; Domeneghetti M C C; Nestola F; Alvaro M
Elastic geothermobarometry: Corrections for the geometry of the host-inclusion system Journal Article
In: Geology, vol. 46, no. 3, pp. 231–234, 2018, ISSN: 0091-7613.
Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, FEM, Finite element method
@article{Mazzucchelli2018,
title = {Elastic geothermobarometry: Corrections for the geometry of the host-inclusion system},
author = {Mattia Luca Mazzucchelli and P. Burnley and Ross John Angel and S. Morganti and M. C. C Domeneghetti and F. Nestola and M. Alvaro},
url = {https://pubs.geoscienceworld.org/gsa/geology/article/46/3/231/526077/Elastic-geothermobarometry-Corrections-for-the},
doi = {10.1130/G39807.1},
issn = {0091-7613},
year = {2018},
date = {2018-03-01},
urldate = {2018-03-01},
journal = {Geology},
volume = {46},
number = {3},
pages = {231--234},
keywords = {Elastic thermobarometry, Elasticity, FEM, Finite element method},
pubstate = {published},
tppubtype = {article}
}
2017
5.
Angel R J; Mazzucchelli M L; Alvaro M; Nestola F
EosFit-Pinc: A simple GUI for host-inclusion elastic thermobarometry Journal Article
In: American Mineralogist, vol. 102, no. 9, pp. 1957–1960, 2017.
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, equations of state, Fortran, Raman thermobarometry, software development
@article{angel2017eosfit,
title = {EosFit-Pinc: A simple GUI for host-inclusion elastic thermobarometry},
author = {Ross John Angel and Mattia Luca Mazzucchelli and Matteo Alvaro and Fabrizio Nestola},
url = {https://doi.org/10.2138/am-2017-6190},
doi = {10.2138/am-2017-6190},
year = {2017},
date = {2017-01-01},
urldate = {2017-01-01},
journal = {American Mineralogist},
volume = {102},
number = {9},
pages = {1957--1960},
abstract = {Elastic geothermobarometry is a method of determining metamorphic conditions from the excess pressures exhibited by mineral inclusions trapped inside host minerals. An exact solution to the problem of combining non-linear Equations of State (EoS) with the elastic relaxation problem for elastically isotropic spherical host-inclusion systems without any approximations of linear elasticity is presented. The solution is encoded into a Windows GUI program EosFit-Pinc. The program performs host-inclusion calculations for spherical inclusions in elastically isotropic systems with full P-V-T EoS for both phases, with a wide variety of EoS types. The EoS values of any minerals can be loaded into the program for calculations. EosFit-Pinc calculates the isomeke of possible entrapment conditions from the pressure of an inclusion measured when the host is at any external pressure and temperature (including room conditions), and it can calculate final inclusion pressures from known entrapment conditions. It also calculates isomekes and isochors of the two phases.},
keywords = {Elastic thermobarometry, Elasticity, equations of state, Fortran, Raman thermobarometry, software development},
pubstate = {published},
tppubtype = {article}
}
Elastic geothermobarometry is a method of determining metamorphic conditions from the excess pressures exhibited by mineral inclusions trapped inside host minerals. An exact solution to the problem of combining non-linear Equations of State (EoS) with the elastic relaxation problem for elastically isotropic spherical host-inclusion systems without any approximations of linear elasticity is presented. The solution is encoded into a Windows GUI program EosFit-Pinc. The program performs host-inclusion calculations for spherical inclusions in elastically isotropic systems with full P-V-T EoS for both phases, with a wide variety of EoS types. The EoS values of any minerals can be loaded into the program for calculations. EosFit-Pinc calculates the isomeke of possible entrapment conditions from the pressure of an inclusion measured when the host is at any external pressure and temperature (including room conditions), and it can calculate final inclusion pressures from known entrapment conditions. It also calculates isomekes and isochors of the two phases.
2015
4.
Angel R J; Alvaro M; Nestola F; Mazzucchelli M L
Diamond thermoelastic properties and implications for determining the pressure of formation of diamond–inclusion systems Journal Article
In: Russian Geology and Geophysics, vol. 56, no. 1-2, pp. 211–220, 2015.
Links | BibTeX | Tags: Diamond, Elastic thermobarometry, Elasticity, equations of state, petrology, thermodynamics
@article{Angel2015diamond,
title = {Diamond thermoelastic properties and implications for determining the pressure of formation of diamond–inclusion systems},
author = {Ross John Angel and Matteo Alvaro and Fabrizio Nestola and Mattia Luca Mazzucchelli},
doi = {10.1016/j.rgg.2015.01.014},
year = {2015},
date = {2015-01-01},
urldate = {2015-01-01},
journal = {Russian Geology and Geophysics},
volume = {56},
number = {1-2},
pages = {211--220},
keywords = {Diamond, Elastic thermobarometry, Elasticity, equations of state, petrology, thermodynamics},
pubstate = {published},
tppubtype = {article}
}
3.
Angel R J; Nimis P; Mazzucchelli M L; Alvaro M; Nestola F
How large are departures from lithostatic pressure? Constraints from host–inclusion elasticity Journal Article
In: Journal of Metamorphic Geology, vol. 33, no. 8, pp. 801–813, 2015.
Links | BibTeX | Tags: Diamond, Elastic thermobarometry, Elasticity, equations of state, metamorphic rocks, petrology
@article{Angel2015JMGb,
title = {How large are departures from lithostatic pressure? Constraints from host–inclusion elasticity},
author = {Ross John Angel and P Nimis and Mattia Luca Mazzucchelli and M Alvaro and Fabrizio Nestola},
url = {http://dx.doi.org/10.1111/jmg.12138},
doi = {10.1111/jmg.12138},
year = {2015},
date = {2015-01-01},
urldate = {2015-01-01},
journal = {Journal of Metamorphic Geology},
volume = {33},
number = {8},
pages = {801--813},
keywords = {Diamond, Elastic thermobarometry, Elasticity, equations of state, metamorphic rocks, petrology},
pubstate = {published},
tppubtype = {article}
}
2.
Scandolo L; Mazzucchelli M L; Alvaro M; Nestola F; Pandolfo F; Domeneghetti M C C
Thermal expansion behaviour of orthopyroxenes: the role of the Fe-Mn substitution Journal Article
In: Mineralogical Magazine, vol. 79, no. 1, pp. 71–87, 2015, ISSN: 14718022.
Links | BibTeX | Tags: Crystallography, Elasticity, equations of state, Single-crystal X-ray diffraction, thermal expansion, thermodynamics
@article{Scandolo2015ab,
title = {Thermal expansion behaviour of orthopyroxenes: the role of the Fe-Mn substitution},
author = {L. Scandolo and Mattia Luca Mazzucchelli and M. Alvaro and Fabrizio Nestola and F. Pandolfo and M. C. C Domeneghetti},
url = {https://doi.org/10.1180/minmag.2015.079.1.07},
doi = {10.1180/minmag.2015.079.1.07},
issn = {14718022},
year = {2015},
date = {2015-01-01},
urldate = {2015-01-01},
journal = {Mineralogical Magazine},
volume = {79},
number = {1},
pages = {71--87},
keywords = {Crystallography, Elasticity, equations of state, Single-crystal X-ray diffraction, thermal expansion, thermodynamics},
pubstate = {published},
tppubtype = {article}
}
2014
1.
Angel R J; Mazzucchelli M L; Alvaro M; Nimis P; Nestola F
Geobarometry from host-inclusion systems: The role of elastic relaxation Journal Article
In: American Mineralogist, vol. 99, no. 10, pp. 2146–2149, 2014, ISSN: 19453027.
Abstract | Links | BibTeX | Tags: Elastic thermobarometry, Elasticity, equations of state, Raman thermobarometry
@article{Angel2014relaxation,
title = {Geobarometry from host-inclusion systems: The role of elastic relaxation},
author = {Ross John Angel and Mattia Luca Mazzucchelli and Matteo Alvaro and Paolo Nimis and Fabrizio Nestola},
url = {https://doi.org/10.2138/am-2014-5047},
doi = {10.2138/am-2014-5047},
issn = {19453027},
year = {2014},
date = {2014-01-01},
urldate = {2014-01-01},
journal = {American Mineralogist},
volume = {99},
number = {10},
pages = {2146--2149},
abstract = {© 2014 by Walter de Gruyter Berlin/Boston. Minerals trapped as inclusions within other host minerals can develop residual stresses on exhumation as a result of the differences between the thermo-elastic properties of the host and inclusion phases. The determination of possible entrapment pressures and temperatures from this residual stress requires the mutual elastic relaxation of the host and inclusion to be determined. Previous estimates of this relaxation have relied on the assumption of linear elasticity theory. We present a new formulation of the problem that avoids this assumption. We show that for soft inclusions such as quartz in relatively stiff host materials such as garnet, the previous analysis yields entrapment pressures in error by the order of 0.1 GPa. The error is larger for hosts that have smaller shear moduli than garnet.},
keywords = {Elastic thermobarometry, Elasticity, equations of state, Raman thermobarometry},
pubstate = {published},
tppubtype = {article}
}
© 2014 by Walter de Gruyter Berlin/Boston. Minerals trapped as inclusions within other host minerals can develop residual stresses on exhumation as a result of the differences between the thermo-elastic properties of the host and inclusion phases. The determination of possible entrapment pressures and temperatures from this residual stress requires the mutual elastic relaxation of the host and inclusion to be determined. Previous estimates of this relaxation have relied on the assumption of linear elasticity theory. We present a new formulation of the problem that avoids this assumption. We show that for soft inclusions such as quartz in relatively stiff host materials such as garnet, the previous analysis yields entrapment pressures in error by the order of 0.1 GPa. The error is larger for hosts that have smaller shear moduli than garnet.
Accepted / in press
- Mazzucchelli, M. L., Cordier, P., & Trepmann, C. A. (2026). Carrying the planet on their backs: how minerals respond to stress. Elements.
In preparation / submitted
- Mazzucchelli, M.L., Moulas, E., Schmalholz, S.M., Kaus, B., Speck, T. Instability of fluid-mineral equilibrium under non-hydrostatic stress investigated with molecular dynamics. Submitted to Journal of Geophysical Research: Solid Earth. Download preprint →
- Mazzucchelli, M.L., Moulas, E., Schmalholz, S.M. Multiscale modelling of stress at solid-fluid interfaces: implications for the interplay of deformation and mineral reactions.