Publications

@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 = {2023-03-21},

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 = {},

pubstate = {published},

tppubtype = {article}

}

@article{murri_role_2022,

title = {The role of symmetry-breaking strains on quartz inclusions in anisotropic hosts: Implications for Raman elastic geobarometry},

author = {M. Murri and J. P. Gonzalez and M. L. Mazzucchelli and M. Prencipe and B. Mihailova and R. J. Angel and M. Alvaro},

url = {https://www.sciencedirect.com/science/article/pii/S0024493722001256},

doi = {10.1016/j.lithos.2022.106716},

issn = {0024-4937},

year  = {2022},

date = {2022-08-01},

urldate = {2022-06-07},

journal = {Lithos},

volume = {422-423},

pages = {106716},

abstract = {Raman elastic geobarometry for mineral host-inclusion systems is used to determine the strains acting on an inclusion still entrapped in its host by measuring its Raman wavenumber shifts which are interpreted through the phonon-mode Grüneisen tensors of the inclusion phase. The calculated inclusion strains can then be used in an elastic model to calculate the pressure and temperature conditions of entrapment. This method is applied frequently to host inclusion systems where the host is almost elastically isotropic (e.g. garnet) and the inclusion is elastically anisotropic (e.g. quartz and zircon). In this case, when the entrapment occurs under hydrostatic conditions the host will impose isotropic strains on the inclusion which in turn will develop non-hydrostatic stress. In this scenario the symmetry of the inclusion mineral is preserved and the strains in the inclusion can be measured via Raman spectroscopy using the phonon-mode Grüneisen tensor approach. However, a more complex situation arises when the host-inclusion system is fully anisotropic, such as when a quartz inclusion is entrapped within a zircon host, because the symmetry of the inclusion can be broken due to the external anisotropic strain field imposed on the inclusion by the host, which in turn will modify the phonon modes. We therefore calculated the strain states of quartz inclusions entrapped in zircon hosts in multiple orientations and at various geologically relevant pressure and temperature conditions. We then performed ab initio Hartree-Fock/Density Functional Theory (HF/DFT) simulations on α-quartz in these strain states. These HF/DFT simulations show that the changes in the positions of the Raman modes produced by strains that are expected for symmetry broken quartz inclusions in zircon are generally similar to those that would be seen if the quartz inclusions remained truly trigonal in symmetry. Therefore, the use of the trigonal phonon-mode Grüneisen tensor to determine the inclusion strains does not lead to geologically significant errors in calculated quartz inclusion entrapment pressures in zircon.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {2022-05-07},

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 = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {2022-01-11},

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 = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {Matlab, software development},

pubstate = {published},

tppubtype = {article}

}

@article{campomenosi_using_2021,

title = {Using the elastic properties of zircon-garnet host-inclusion pairs for thermobarometry of the ultrahigh-pressure Dora-Maira whiteschists: problems and perspectives},

author = {Nicola Campomenosi and Marco Scambelluri and Ross J. Angel and Joerg Hermann and Mattia L. Mazzucchelli and Boriana Mihailova and Francesca Piccoli and Matteo Alvaro},

url = {https://doi.org/10.1007/s00410-021-01793-6},

doi = {10.1007/s00410-021-01793-6},

issn = {1432-0967},

year  = {2021},

date = {2021-04-01},

urldate = {2021-04-30},

journal = {Contributions to Mineralogy and Petrology},

volume = {176},

number = {5},

pages = {36},

abstract = {The ultrahigh-pressure (UHP) whiteschists of the Brossasco-Isasca unit (Dora-Maira Massif, Western Alps) provide a natural laboratory in which to compare results from classical pressure (P)–temperature (T) determinations through thermodynamic modelling with the emerging field of elastic thermobarometry. Phase equilibria and chemical composition of three garnet megablasts coupled with Zr-in-rutile thermometry of inclusions constrain garnet growth within a narrow P–T range at 3–3.5 GPa and 675–720 °C. On the other hand, the zircon-in-garnet host-inclusion system combined with Zr-in-rutile thermometry would suggest inclusion entrapment conditions below 1.5 GPa and 650 °C that are inconsistent with the thermodynamic modelling and the occurrence of coesite as inclusion in the garnet rims. The observed distribution of inclusion pressures cannot be explained by either zircon metamictization, or by the presence of fluids in the inclusions. Comparison of the measured inclusion strains with numerical simulations shows that post-entrapment plastic relaxation of garnet from metamorphic peak conditions down to 0.5 GPa and 600–650 °C, on the retrograde path, best explains the measured inclusion pressures and their disagreement with the results of phase equilibria modelling. This study suggests that the zircon-garnet couple is more reliable at relatively low temperatures (textless 600 °C), where entrapment conditions are well preserved but chemical equilibration might be sluggish. On the other hand, thermodynamic modelling appears to be better suited for higher temperatures where rock-scale equilibrium can be achieved more easily but the local plasticity of the host-inclusion system might prevent the preservation of the signal of peak metamorphic conditions in the stress state of inclusions. Currently, we cannot define a precise threshold temperature for resetting of inclusion pressures. However, the application of both chemical and elastic thermobarometry allows a more detailed interpretation of metamorphic P–T paths.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{gonzalez_elastic_2021,

title = {Elastic Geobarometry for Anisotropic Inclusions in Anisotropic Host Minerals: Quartz-in-Zircon},

author = {Joseph P. Gonzalez and Mattia L. Mazzucchelli and Ross J. Angel and Matteo Alvaro},

url = {https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2021JB022080},

doi = {10.1029/2021JB022080},

issn = {2169-9356},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Journal of Geophysical Research: Solid Earth},

volume = {126},

number = {6},

pages = {e2021JB022080},

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 entrapment P-T conditions to room P-T conditions. 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.},

keywords = {Elastic anisotropy, FEM, Finite element method},

pubstate = {published},

tppubtype = {article}

}

@article{angel_eosfit-pinc_2020,

title = {“EosFit-Pinc: A simple GUI for host-inclusion elastic thermobarometry”—Reply to Zhong et al.},

author = {Ross J. Angel and Mattia L. Mazzucchelli and Matteo Alvaro and Fabrizio Nestola},

url = {https://doi.org/10.2138/am-2020-7616CCBY},

doi = {10.2138/am-2020-7616CCBY},

issn = {0003-004X},

year  = {2020},

date = {2020-10-01},

urldate = {2021-01-04},

journal = {American Mineralogist},

volume = {105},

number = {10},

pages = {1587--1588},

abstract = {We provide a further algebraic proof that the lines of entrapment conditions for inclusions calculated with the formula of Guiraud and Powell (2006) are not thermodynamic isomekes and therefore do not represent exactly lines of possible entrapment conditions.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {elasticity, FEM, Finite element method, Mechanical Engineering},

pubstate = {published},

tppubtype = {article}

}

@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 = {Raman spectroscopy, Stress},

pubstate = {published},

tppubtype = {article}

}

@article{Alvaro2020,

title = {Fossil subduction recorded by quartz from the coesite stability field},

author = {M. Alvaro and M. L. Mazzucchelli and Ross John Angel and M. Murri and N. Campomenosi and M. Scambelluri and F. Nestola and A. Korsakov and A. A. Tomilenko and F. Marone and M. Morana},

url = {https://doi.org/10.1130/G46617.1},

doi = {10.1130/G46617.1},

issn = {19432682},

year  = {2020},

date = {2020-01-01},

urldate = {2020-01-01},

journal = {Geology},

volume = {48},

number = {1},

pages = {24--28},

abstract = {Metamorphic rocks are the records of plate tectonic processes whose reconstruction relies on correct estimates of the pressures and temperatures (P-T) experienced by these rocks through time. Unlike chemical geothermobarometry, elastic geobarometry does not rely on chemical equilibrium between minerals, so it has the potential to provide information on overstepping of reaction boundaries and to identify other examples of non-equilibrium behavior in rocks. Here we introduce a method that exploits the anisotropy in elastic properties of minerals to determine the unique P and T of entrapment from a single inclusion in a mineral host. We apply it to preserved quartz inclusions in garnet from eclogite xenoliths hosted in Yakutian kimberlites (Russia). Our results demonstrate that quartz trapped in garnet can be preserved when the rock reaches the stability field of coesite (the high-pressure and hightemperature polymorph of quartz) at 3 GPa and 850 °C. This supports a metamorphic origin for these xenoliths and sheds light on the mechanisms of craton accretion from a subducted crustal protolith. Furthermore, we show that interpreting P and T conditions reached by a rock from the simple phase identification of key inclusion minerals can be misleading.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Nestola2019,

title = {Diamond-inclusion system recording old deep lithosphere conditions at Udachnaya (Siberia)},

author = {Fabrizio Nestola and Gabriele Zaffiro and Mattia Luca Mazzucchelli and Paolo Nimis and Giovanni B. Andreozzi and Benedetta Periotto and Francesco Princivalle and Davide Lenaz and Luciano Secco and Leonardo Pasqualetto and Alla M. Logvinova and Nikolay V. Sobolev and Alessandra Lorenzetti and Jeffrey W. Harris},

url = {https://doi.org/10.1038/s41598-019-48778-x},

doi = {10.1038/s41598-019-48778-x},

issn = {2045-2322},

year  = {2019},

date = {2019-12-01},

urldate = {2019-12-01},

journal = {Scientific Reports},

volume = {9},

number = {1},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Mazzucchelli2019,

title = {Elastic geobarometry for anisotropic inclusions in cubic hosts},

author = {Mattia Luca Mazzucchelli and A. Reali and S. Morganti and Ross John Angel and Alvaro M},

url = {https://doi.org/10.1016/j.lithos.2019.105218},

doi = {10.1016/j.lithos.2019.105218},

issn = {00244937},

year  = {2019},

date = {2019-10-01},

urldate = {2019-10-01},

journal = {Lithos},

pages = {105218},

keywords = {Elastic anisotropy, FEM, Finite element method, Host-inclusion systems},

pubstate = {published},

tppubtype = {article}

}

@article{Anzolini2019,

title = {Depth of diamond formation obtained from single periclase inclusions},

author = {Chiara Anzolini and Fabrizio Nestola and Mattia Luca Mazzucchelli and Matteo Alvaro and Paolo Nimis and Andrea Gianese and Simone Morganti and Federica Marone and Marcello Campione and Mark T. Hutchison and Jeffrey W. Harris},

url = {https://pubs.geoscienceworld.org/gsa/geology/article/47/3/219/568391/Depth-of-diamond-formation-obtained-from-single},

doi = {10.1130/G45605.1},

issn = {0091-7613},

year  = {2019},

date = {2019-03-01},

urldate = {2019-06-17},

journal = {Geology},

volume = {47},

number = {3},

pages = {219--222},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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 barometry, elasticity, Raman spectroscopy},

pubstate = {published},

tppubtype = {article}

}

@article{murri_raman_2018,

title = {Raman elastic geobarometry for anisotropic mineral inclusions},

author = {Mara Murri and Mattia Luca Mazzucchelli and Nicola Campomenosi and Andrey V. Korsakov and Mauro Prencipe and Boriana D. Mihailova and Marco Scambelluri and Ross John Angel and Matteo Alvaro},

url = {https://doi.org/10.2138/am-2018-6625CCBY},

doi = {10.2138/am-2018-6625CCBY},

issn = {0003004X},

year  = {2018},

date = {2018-11-01},

urldate = {2018-11-01},

journal = {American Mineralogist},

volume = {103},

number = {11},

pages = {1869--1872},

keywords = {Density Functional Theory, Deviatoric stress, DFT, Elastic anisotropy, Elastic barometry, metamorphic rocks},

pubstate = {published},

tppubtype = {article}

}

@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 barometry, elasticity, FEM, Finite element method},

pubstate = {published},

tppubtype = {article}

}

@article{Milani2017,

title = {Thermo-elastic behavior of grossular garnet at high pressures and temperatures},

author = {S. Milani and Ross John Angel and L. Scandolo and M. L. Mazzucchelli and T. B. Ballaran and S. Klemme and M. C. Domeneghetti and R. Miletich and K. S. Scheidl and M. Derzsi and K. Tokár and M. Prencipe and M. Alvaro and F. Nestola},

url = {https://doi.org/10.2138/am-2017-5855},

doi = {10.2138/am-2017-5855},

issn = {19453027},

year  = {2017},

date = {2017-01-01},

urldate = {2017-01-01},

journal = {American Mineralogist},

volume = {102},

number = {4},

pages = {851--859},

abstract = {© 2017 by Walter de Gruyter Berlin/Boston 2017. The thermo-elastic behavior of synthetic single crystals of grossular garnet (Ca 3 Al 2 Si 3 O 12 ) has been studied in situ as a function of pressure and temperature separately. The same data collection protocol has been adopted to collect both the pressure-volume (P-V) and temperature-volume (T-V) data sets to make the measurements consistent with one another. The consistency between the two data sets allows simultaneous fitting to a single pressure-volume-temperature Equation of State (EoS), which was performed with a new fitting utility implemented in the latest version of the program EoSFit7c. The new utility performs fully weighted simultaneous fits of the P-V-T and P-K-T data using a thermal pressure EoS combined with any P-V EoS. Simultaneous refinement of our P-V-T data combined with that of K T as a function of T allowed us to produce a single P-V-T-K T equation of state with the following coefficients: V 0 =1664.46(5)Å 3 K TO =166.57(17)GPa and K′=4.96(7)α (300K,1bar) =2.09(2)×10 -5 K -1 with a refined Einstein temperature (θ E ) of 512 K for a Holland-Powell-type thermal pressure model and a Tait third-order EoS. Additionally, thermodynamic properties of grossular have been calculated for the first time from crystal Helmholtz and Gibbs energies, including the contribution from phonons, using density functional theory within the framework of the quasi-harmonic approximation.},

keywords = {ab-initio, equations of state, high-pressure, high-temperature},

pubstate = {published},

tppubtype = {article}

}

@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 = {elasticity, equations of state, Fortran, software development},

pubstate = {published},

tppubtype = {article}

}

@article{Alvaro2015,

title = {A new micro-furnace for in situ high-temperature single-crystal X-ray diffraction measurements},

author = {M. Alvaro and Ross John Angel and C. Marciano and S. Milani and L. Scandolo and Mattia Luca Mazzucchelli and G. Zaffiro and G. Rustioni and M. Briccola and M. C. Domeneghetti and F. Nestola},

url = {http://scripts.iucr.org/cgi-bin/paper?S1600576715011371},

doi = {10.1107/s1600576715011371},

issn = {1600-5767},

year  = {2015},

date = {2015-01-01},

urldate = {2015-01-01},

journal = {Journal of Applied Crystallography},

volume = {48},

number = {4},

pages = {1192--1200},

abstract = {A new micro-furnace equipped with an H-shaped resistance heater has been developed to conduct in situ single-crystal X-ray diffraction experiments at high temperature. The compact design of the furnace does not restrict access to reciprocal space out to 2θ = 60°. Therefore, unit-cell parameters and intensity data can be determined to a resolution of 0.71 Å with Mo radiation. The combined use of mineral phases with well characterized lattice expansion ( e.g. pure Si and SiO 2 quartz) and a small-diameter (0.025 mm) K-type thermocouple allowed accurate temperature calibration from room temperature to about 1273 K and consequent evaluation of thermal gradients and stability. The new furnace design allows temperatures up to about 1273 K to be reached with a thermal stability better than ±5 K even at the highest temperatures. Measurements of the lattice thermal expansion of pure silicon (Si), pure synthetic grossular garnet (Ca 3 Al 2 Si 3 O 12 ) and quartz (SiO 2 ) are presented to demonstrate the performance of the device. Its main advantages and limitations and important considerations for using it to perform high-temperature diffraction measurements are discussed.},

keywords = {thermal expansion, x-ray diffraction},

pubstate = {published},

tppubtype = {article}

}

@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, elasticity, equations of state},

pubstate = {published},

tppubtype = {article}

}

@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},

journal = {Journal of Metamorphic Geology},

volume = {33},

number = {8},

pages = {801--813},

keywords = {elasticity},

pubstate = {published},

tppubtype = {article}

}

@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 = {Single-crystal X-ray diffraction, thermal expansion},

pubstate = {published},

tppubtype = {article}

}

@article{Milani2015,

title = {Diamond–garnet geobarometry: The role of garnet compressibility and expansivity},

author = {Sula Milani and Fabrizio Nestola and Matteo Alvaro and Daria Pasqual and Mattia Luca Mazzucchelli and M C Domeneghetti and C A Geiger},

url = {http://www.sciencedirect.com/science/article/pii/S0024493715001097},

doi = {10.1016/j.lithos.2015.03.017},

year  = {2015},

date = {2015-01-01},

urldate = {2015-01-01},

journal = {Lithos},

volume = {227},

number = {0},

pages = {140--147},

keywords = {Diamond, thermal expansion},

pubstate = {published},

tppubtype = {article}

}

@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 = {elasticity, residual stress},

pubstate = {published},

tppubtype = {article}

}