Microstructure of calcite deformed by high-pressure torsion: An X-ray line profile study

Schuster, Roman; Schafler, Erhard; Schell, Norbert; Kunz, Martin; Abart, Rainer

doi:10.1016/j.tecto.2017.10.015

Microstructure of calcite deformed by high-pressure torsion: An X-ray line profile study

Journal Article · Thu Oct 19 00:00:00 EDT 2017 · Tectonophysics

DOI:https://doi.org/10.1016/j.tecto.2017.10.015· OSTI ID:1530306

Schuster, Roman ^[1]; Schafler, Erhard ^[1]; Schell, Norbert ^[2]; Kunz, Martin ^[3]; Abart, Rainer ^[1]

Univ. of Vienna (Austria)
Helmholtz-Zentrum Geesthacht (Germany)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Calcite aggregates were deformed to high strain using high-pressure torsion and applying confining pressures of 1–6 GPa and temperatures between room temperature and 450 °C. The run products were characterized by X-ray diffraction, and key microstructural parameters were extracted employing X-ray line profile analysis. The dominant slip system was determined as r{$$ 10\bar{1}4 $$}⟨$$ \bar{2}021 $$⟩ with edge dislocation character. The resulting dislocation density and the size of the coherently scattering domains (CSD) exhibit a systematic dependence on the P-T conditions of deformation. While high pressure generally impedes recovery through reducing point defect mobility, the picture is complicated by pressure-induced phase transformations in the CaCO₃ system. Transition from the calcite stability field to those of the high-pressure polymorphs CaCO_3^-II, CaCO_3^-III and CaCO3-IIIb leads to a change of the microstructural evolution with deformation. At 450 °C and pressures within the calcite stability field, dislocation densities and CSD sizes saturate at shear strains exceeding 10 in agreement with earlier studies at lower pressures. In the stability field of CaCO_3^-II, the dislocation density reflects a more complex behavior. Furthermore, at a given strain and strain rate, the dislocation density increases and the CSD size decreases with increasing pressure within the stability fields of either calcite or of the high-pressure polymorphs. There is, in contrast, a jump from high dislocation densities and small CSDs in the upper pressure region of the calcite stability field to lower dislocation densities and larger CSDs in the low-pressure region of the CaCO_3^-II stability field. This jump is more pronounced at higher temperatures and less so at room temperature. The pressure influence on the deformation-induced evolution of dislocation densities implies that pressure variations may change the rheology of carbonate rocks. In particular, a weakening is expected to occur at the transition from the calcite to the CaCO_3^-II stability field, if aragonite does not form.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); Austrian Science Fund (FWF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1530306

Alternate ID(s):: OSTI ID: 1549413

Journal Information:: Tectonophysics, Journal Name: Tectonophysics Journal Issue: C Vol. 721; ISSN 0040-1951

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (62)

Shearing Phenomena at High Pressure of Possible Importance for Geology Bridgman, P. W. The Journal of Geology, Vol. 44, Issue 6 https://doi.org/10.1086/624468	journal	August 1936
The high pressure behavior of miscellaneous minerals Bridgman, P. W. American Journal of Science, Vol. 237, Issue 1 https://doi.org/10.2475/ajs.237.1.7	journal	December 1938
The Role of Hydrostatic Pressure in Severe Plastic Deformation Zehetbauer, M. J.; Stüwe, H. P.; Vorhauer, A. Advanced Engineering Materials, Vol. 5, Issue 5 https://doi.org/10.1002/adem.200310090	journal	May 2003
The determination of density and distribution of dislocations in deformed single crystals from broadened X-ray diffraction profiles Wilkens, M. Physica Status Solidi (a), Vol. 2, Issue 2 https://doi.org/10.1002/pssa.19700020224	journal	June 1970
Deformation twinning in calcite, dolomite, and other rhombohedral carbonates Barber, D. J.; Wenk, H. -R. Physics and Chemistry of Minerals, Vol. 5, Issue 2 https://doi.org/10.1007/BF00307550	journal	December 1979
Basal slip and texture development in calcite: new results from torsion experiments Barber, D. J.; Wenk, H. -R.; Gomez-Barreiro, J. Physics and Chemistry of Minerals, Vol. 34, Issue 2 https://doi.org/10.1007/s00269-006-0129-3	journal	December 2006
In situ study of the $$ R\overline{3} c \to R\overline{3} m $$ orientational disorder in calcite Antao, Sytle M.; Hassan, Ishmael; Mulder, Willem H. Physics and Chemistry of Minerals, Vol. 36, Issue 3 https://doi.org/10.1007/s00269-008-0266-y	journal	October 2008
Puzzling calcite-III dimorphism: crystallography, high-pressure behavior, and pathway of single-crystal transitions Pippinger, T.; Miletich, R.; Merlini, M. Physics and Chemistry of Minerals, Vol. 42, Issue 1 https://doi.org/10.1007/s00269-014-0696-7	journal	August 2014
X-ray line broadening from filed aluminium and wolfram Williamson, G. K.; Hall, W. H. Acta Metallurgica, Vol. 1, Issue 1 https://doi.org/10.1016/0001-6160(53)90006-6	journal	January 1953
Dislocation etch pits and plastic deformation in calcite Keith, R. E.; Gilman, J. J. Acta Metallurgica, Vol. 8, Issue 1 https://doi.org/10.1016/0001-6160(60)90132-2	journal	January 1960
Dislocation wall and cell structures and long-range internal stresses in deformed metal crystals Mughrabi, H. Acta Metallurgica, Vol. 31, Issue 9 https://doi.org/10.1016/0001-6160(83)90007-X	journal	September 1983
Simple shear experiments on calcite rocks: rheology and microfabric Schmid, S. M.; Panozzo, R.; Bauer, S. Journal of Structural Geology, Vol. 9, Issue 5-6 https://doi.org/10.1016/0191-8141(87)90157-X	journal	January 1987
Marble mylonites in the Bancroft shear zone, Ontario, Canada: microstructures and deformation mechanisms Ben A., van der Pluijm Journal of Structural Geology, Vol. 13, Issue 10 https://doi.org/10.1016/0191-8141(91)90073-R	journal	January 1991
Calcite twins, their geometry, appearance and significance as stress-strain markers and indicators of tectonic regime: a review Burkhard, Martin Journal of Structural Geology, Vol. 15, Issue 3-5 https://doi.org/10.1016/0191-8141(93)90132-T	journal	March 1993
Texture development of calcite by deformation and dynamic recrystallization at 1000 K during torsion experiments of marble to large strains Pieri, M.; Kunze, K.; Burlini, L. Tectonophysics, Vol. 330, Issue 1-2 https://doi.org/10.1016/S0040-1951(00)00225-0	journal	January 2001
Strength characteristics of the r, f, and c slip systems in calcite De Bresser, J. H. P.; Spiers, C. J. Tectonophysics, Vol. 272, Issue 1 https://doi.org/10.1016/S0040-1951(96)00273-9	journal	April 1997
Rock deformation tests to large shear strains in torsion Paterson, M. S.; Olgaard, D. L. Journal of Structural Geology, Vol. 22, Issue 9 https://doi.org/10.1016/S0191-8141(00)00042-0	journal	September 2000
Rheological and microstructural evolution of Carrara marble with high shear strain: results from high temperature torsion experiments Pieri, Marco; Burlini, Luigi; Kunze, Karsten Journal of Structural Geology, Vol. 23, Issue 9 https://doi.org/10.1016/S0191-8141(01)00006-2	journal	September 2001
Intragranular dynamic recrystallization in naturally deformed calcite marble: diffusion accommodated grain boundary sliding as a result of subgrain rotation recrystallization Bestmann, Michel; Prior, David J. Journal of Structural Geology, Vol. 25, Issue 10 https://doi.org/10.1016/S0191-8141(03)00006-3	journal	October 2003
Texture of Solnhofen limestone deformed to high strains in torsion Casey, Martin; Kunze, Karsten; Olgaard, David L. Journal of Structural Geology, Vol. 20, Issue 2-3 https://doi.org/10.1016/S0191-8141(97)00058-8	journal	February 1998
Structure of Cu deformed by high pressure torsion Hebesberger, T.; Stüwe, H. P.; Vorhauer, A. Acta Materialia, Vol. 53, Issue 2 https://doi.org/10.1016/j.actamat.2004.09.043	journal	January 2005
Using finite element modeling to examine the temperature distribution in quasi-constrained high-pressure torsion Figueiredo, Roberto B.; Pereira, Pedro Henrique R.; Aguilar, Maria Teresa P. Acta Materialia, Vol. 60, Issue 6-7 https://doi.org/10.1016/j.actamat.2012.02.027	journal	April 2012
Dislocation density-based finite element analysis of large strain deformation behavior of copper under high-pressure torsion Lee, Dong Jun; Yoon, Eun Yoo; Ahn, Dong-Hyun Acta Materialia, Vol. 76 https://doi.org/10.1016/j.actamat.2014.05.027	journal	September 2014
CaCO3-III and CaCO3-VI, high-pressure polymorphs of calcite: Possible host structures for carbon in the Earth's mantle Merlini, M.; Hanfland, M.; Crichton, W. A. Earth and Planetary Science Letters, Vol. 333-334 https://doi.org/10.1016/j.epsl.2012.04.036	journal	June 2012
The role of recrystallisation on the deformation behaviour of calcite rocks: large strain torsion experiments on Carrara marble Barnhoorn, Auke; Bystricky, Misha; Burlini, Luigi Journal of Structural Geology, Vol. 26, Issue 5 https://doi.org/10.1016/j.jsg.2003.11.024	journal	May 2004
Combining natural microstructures with composite flow laws: an improved approach for the extrapolation of lab data to nature Herwegh, M.; de Bresser, J. H. P.; ter Heege, J. H. Journal of Structural Geology, Vol. 27, Issue 3 https://doi.org/10.1016/j.jsg.2004.10.010	journal	March 2005
Crystallographic preferred orientations and microstructure of a Variscan marble mylonite in the Ossa-Morena Zone (SW Iberia) Romeo, I.; Capote, R.; Lunar, R. Journal of Structural Geology, Vol. 29, Issue 8 https://doi.org/10.1016/j.jsg.2007.05.004	journal	August 2007
Tectonic pressure: Theoretical concepts and modelled examples Mancktelow, Neil S. Lithos, Vol. 103, Issue 1-2 https://doi.org/10.1016/j.lithos.2007.09.013	journal	June 2008
Transient hot channels: Perpetrating and regurgitating ultrahigh-pressure, high-temperature crust–mantle associations in collision belts Gerya, T. V.; Perchuk, L. L.; Burg, J. -P. Lithos, Vol. 103, Issue 1-2 https://doi.org/10.1016/j.lithos.2007.09.017	journal	June 2008
Correlation between strength and microstructure of ball-milled Al–Mg alloys determined by X-ray diffraction Ribárik, G.; Gubicza, J.; Ungár, T. Materials Science and Engineering: A, Vol. 387-389 https://doi.org/10.1016/j.msea.2004.01.089	journal	December 2004
The use of X-ray diffraction to determine slip and twinning activity in commercial-purity (CP) titanium Ungár, T.; Glavicic, M. G.; Balogh, L. Materials Science and Engineering: A, Vol. 493, Issue 1-2 https://doi.org/10.1016/j.msea.2007.06.096	journal	October 2008
On the homogeneity of deformation by high pressure torsion Vorhauer, A.; Pippan, R. Scripta Materialia, Vol. 51, Issue 9 https://doi.org/10.1016/j.scriptamat.2004.04.025	journal	November 2004
Microstructural parameters from X-ray diffraction peak broadening Ungár, T. Scripta Materialia, Vol. 51, Issue 8 https://doi.org/10.1016/j.scriptamat.2004.05.007	journal	October 2004
Post-deformational annealing of calcite rocks Barnhoorn, Auke; Bystricky, Misha; Burlini, Luigi Tectonophysics, Vol. 403, Issue 1-4 https://doi.org/10.1016/j.tecto.2005.04.008	journal	July 2005
Influence of stress, temperature, and strain on calcite twins constrained by deformation experiments Rybacki, E.; Evans, B.; Janssen, C. Tectonophysics, Vol. 601 https://doi.org/10.1016/j.tecto.2013.04.021	journal	August 2013
Dislocation creep of calcite: DISLOCATION CREEP OF CALCITE Renner, Jörg; Evans, Brian; Siddiqi, Gunter Journal of Geophysical Research: Solid Earth, Vol. 107, Issue B12 https://doi.org/10.1029/2001JB001680	journal	December 2002
On the mechanism of dislocation creep of calcite at high temperature: Inferences from experimentally measured pressure sensitivity and strain rate sensitivity of flow stress: DISLOCATION CREEP OF CALCITE AT HIGH TEMPERATURE De Bresser, J. H. P. Journal of Geophysical Research: Solid Earth, Vol. 107, Issue B12 https://doi.org/10.1029/2002JB001812	journal	December 2002
Steady state dislocation densities in experimentally deformed calcite materials: Single crystals versus polycrystals De Bresser, J. H. P. Journal of Geophysical Research: Solid Earth, Vol. 101, Issue B10 https://doi.org/10.1029/96JB01759	journal	October 1996
Deformation-induced microstructures, paleopiezometers, and differential stresses in deeply eroded fault zones Kohlstedt, D. L.; Weathers, Maura S. Journal of Geophysical Research: Solid Earth, Vol. 85, Issue B11 https://doi.org/10.1029/JB085iB11p06269	journal	November 1980
The Separation of Cold‐Work Distortion and Particle Size Broadening in X‐Ray Patterns Warren, B. E.; Averbach, B. L. Journal of Applied Physics, Vol. 23, Issue 4 https://doi.org/10.1063/1.1702234	journal	April 1952
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
The kinetics of migration of point defects to dislocations Bullough, R.; Newman, R. C. Reports on Progress in Physics, Vol. 33, Issue 1 https://doi.org/10.1088/0034-4885/33/1/303	journal	January 1970
Pressure Dependence of the Elastic Constants of Calcite Dandekar, Dattatraya P. Physical Review, Vol. 172, Issue 3 https://doi.org/10.1103/PhysRev.172.873	journal	August 1968
Crystallite size distribution and dislocation structure determined by diffraction profile analysis: principles and practical application to cubic and hexagonal crystals Ungár, T.; Gubicza, J.; Ribárik, G. Journal of Applied Crystallography, Vol. 34, Issue 3 https://doi.org/10.1107/S0021889801003715	journal	May 2001
MWP-fit : a program for multiple whole-profile fitting of diffraction peak profiles by ab initio theoretical functions Ribárik, G.; Ungár, T.; Gubicza, J. Journal of Applied Crystallography, Vol. 34, Issue 5 https://doi.org/10.1107/S0021889801011451	journal	September 2001
Contrast factors of dislocations in the hexagonal crystal system Dragomir, I. C.; Ungár, T. Journal of Applied Crystallography, Vol. 35, Issue 5 https://doi.org/10.1107/S0021889802009536	journal	September 2002
Fityk : a general-purpose peak fitting program Wojdyr, Marcin Journal of Applied Crystallography, Vol. 43, Issue 5 https://doi.org/10.1107/S0021889810030499	journal	September 2010
A general approach for determining the diffraction contrast factor of straight-line dislocations Martinez-Garcia, Jorge; Leoni, Matteo; Scardi, Paolo Acta Crystallographica Section A Foundations of Crystallography, Vol. 65, Issue 2 https://doi.org/10.1107/S010876730804186X	journal	January 2009
The crystal structure of CaCO ₃ (II), a high-pressure metastable phase of calcium carbonate Merrill, L.; Bassett, W. A. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 31, Issue 2 https://doi.org/10.1107/S0567740875002774	journal	February 1975
Influence of tectonic overpressure on P-T paths of HP-UHP rocks in continental collision zones: thermomechanical modelling Li, Z. H.; Gerya, T. V.; Burg, J. -P. Journal of Metamorphic Geology, Vol. 28, Issue 3 https://doi.org/10.1111/j.1525-1314.2009.00864.x	journal	April 2010
Seismic Consequences of Warm Versus Cool Subduction Metamorphism: Examples from Southwest and Northeast Japan Peacock, S. M. Science, Vol. 286, Issue 5441 https://doi.org/10.1126/science.286.5441.937	journal	October 1999
An alternative model for ultra-high pressure in the Svartberget Fe-Ti garnet-peridotite, Western Gneiss Region, Norway [An alternative model for ultra-high pressure in the Svartberget Fe-Ti garnet-peridotite, Western Gneiss Region, Norway] Vrijmoed, Johannes C.; Podladchikov, Yuri Y.; Andersen, Torgeir B. European Journal of Mineralogy, Vol. 21, Issue 6 https://doi.org/10.1127/0935-1221/2009/0021-1985	journal	January 2010
Experimental Deformation of Calcite Crystals Turner, Francis J.; Griggs, David T.; Heard, Hugh Geological Society of America Bulletin, Vol. 65, Issue 9 https://doi.org/10.1130/0016-7606(1954)65[883:EDOCC]2.0.CO;2	journal	January 1954
Microstructure and lattice preferred orientation of calcite mylonites at the base of the southern Urals accretionary prism FernÁndez, F. J.; Brown, D.; Álvarez-MarrÓn, J. Journal of the Geological Society, Vol. 161, Issue 1 https://doi.org/10.1144/0016-764903-027	journal	January 2004
On estimating the strength of calcite rocks under natural conditions De Bresser, J. H. P.; Evans, B.; Renner, J. Geological Society, London, Special Publications, Vol. 200, Issue 1 https://doi.org/10.1144/GSL.SP.2001.200.01.18	journal	January 2002
Correlation between subgrains and coherently scattering domains Ungár, T.; Tichy, G.; Gubicza, J. Powder Diffraction, Vol. 20, Issue 4 https://doi.org/10.1154/1.2135313	journal	December 2005
First evidence of CaCO ₃ -III and CaCO ₃ -IIIb high-pressure polymorphs of calcite: Authigenically formed in near surface sediments Schaebitz, Maike; Wirth, Richard; Janssen, Christoph American Mineralogist, Vol. 100, Issue 5-6 https://doi.org/10.2138/am-2015-5099	journal	May 2015
Synchrotron X-ray line-profile analysis experiments for the in-situ microstructural characterisation of SPD nanometals during tensile deformation Kerber, Michael B.; Schafler, Erhard; Wieczorek, Arkadiusz K. International Journal of Materials Research, Vol. 100, Issue 6 https://doi.org/10.3139/146.110097	journal	June 2009
Deformation Induced Vacancies with Severe Plastic Deformation: Measurements and Modelling Zehetbauer, Michael; Steiner, Gerd; Schafler, Erhard Materials Science Forum, Vol. 503-504 https://doi.org/10.4028/www.scientific.net/MSF.503-504.57	journal	January 2006
The High Energy Materials Science Beamline (HEMS) at PETRA III Schell, Norbert; King, Andrew; Beckmann, Felix Materials Science Forum, Vol. 772 https://doi.org/10.4028/www.scientific.net/MSF.772.57	journal	November 2013
Ultrasonic Observation of Calcite i-ii Inversion to 700°C Kondo, Shoji; Suito, Kaichi; Matsushima, Shogo Journal of Physics of the Earth, Vol. 20, Issue 3 https://doi.org/10.4294/jpe1952.20.245	journal	January 1972
Exhumation of (ultra-)high-pressure terranes: concepts and mechanisms Warren, C. J. Solid Earth, Vol. 4, Issue 1 https://doi.org/10.5194/se-4-75-2013	journal	January 2013

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
58 GEOSCIENCES
Calcite
High-pressure torsion
Microstructure analysis
X-ray line-profile analysis

Microstructure of calcite deformed by high-pressure torsion: An X-ray line profile study

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