Influence of iron on the elastic properties of wadsleyite and ringwoodite
Identifieur interne : 000388 ( Istex/Corpus ); précédent : 000387; suivant : 000389Influence of iron on the elastic properties of wadsleyite and ringwoodite
Auteurs : M. Nú Ez-Valdez ; P. Da Silveira ; R. M. WentzcovitchSource :
- Journal of Geophysical Research: Solid Earth [ 0148-0227 ] ; 2011-12.
Abstract
We investigate by first‐principles the influence of iron on the elastic properties of the β–phase (wadsleyite) and γ–phase (ringwoodite), polymorphs of olivine, the most abundant minerals of the upper and lower parts of the transition zone, respectively. Our study aims to complement experiments to understand details of the 410 km and 520 km discontinuities. The full elastic‐tensor Cij, bulk (K), and shear (G) moduli are determined under static conditions for β–γ–(Mg1–xFex)2SiO4 with x = 0.125. Wave propagation anisotropy in single crystals and polarization anisotropy in aggregates with preferred orientation are investigated and compared with those of iron‐free wadsleyite and ringwoodite for a thorough understanding of the effect of iron. We examine the effect of iron on velocity contrasts due to phase changes and conclude that iron enhances ΔVP and ΔVS across the α → β transition but suppresses them across the β → γ transition. The latter might contribute to suppress locally the 520 km discontinuity if this has a significant contribution from the β → γ transition. We show that lateral variation of iron, δx, produces lateral velocity heterogeneity ratios similar to those produced by lateral variations of temperature, δT, both producing ratios comparable to values extracted from seismic tomography studies. However, in contrast with δT, δx produces negative values for density to longitudinal and shear wave velocity ratios. This might be considered the fingerprint of lateral variations of iron concentration. These negative ratios appear similar to results inferred from geodynamical models compiled by Karato and Karki (2001) for the upper mantle and transition zone.
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DOI: 10.1029/2011JB008378
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<front><div type="abstract">We investigate by first‐principles the influence of iron on the elastic properties of the β–phase (wadsleyite) and γ–phase (ringwoodite), polymorphs of olivine, the most abundant minerals of the upper and lower parts of the transition zone, respectively. Our study aims to complement experiments to understand details of the 410 km and 520 km discontinuities. The full elastic‐tensor Cij, bulk (K), and shear (G) moduli are determined under static conditions for β–γ–(Mg1–xFex)2SiO4 with x = 0.125. Wave propagation anisotropy in single crystals and polarization anisotropy in aggregates with preferred orientation are investigated and compared with those of iron‐free wadsleyite and ringwoodite for a thorough understanding of the effect of iron. We examine the effect of iron on velocity contrasts due to phase changes and conclude that iron enhances ΔVP and ΔVS across the α → β transition but suppresses them across the β → γ transition. The latter might contribute to suppress locally the 520 km discontinuity if this has a significant contribution from the β → γ transition. We show that lateral variation of iron, δx, produces lateral velocity heterogeneity ratios similar to those produced by lateral variations of temperature, δT, both producing ratios comparable to values extracted from seismic tomography studies. However, in contrast with δT, δx produces negative values for density to longitudinal and shear wave velocity ratios. This might be considered the fingerprint of lateral variations of iron concentration. These negative ratios appear similar to results inferred from geodynamical models compiled by Karato and Karki (2001) for the upper mantle and transition zone.</div>
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<abstract><p>We investigate by first‐principles the influence of iron on the elastic properties of the β–phase (wadsleyite) and γ–phase (ringwoodite), polymorphs of olivine, the most abundant minerals of the upper and lower parts of the transition zone, respectively. Our study aims to complement experiments to understand details of the 410 km and 520 km discontinuities. The full elastic‐tensor Cij, bulk (K), and shear (G) moduli are determined under static conditions for β–γ–(Mg1–xFex)2SiO4 with x = 0.125. Wave propagation anisotropy in single crystals and polarization anisotropy in aggregates with preferred orientation are investigated and compared with those of iron‐free wadsleyite and ringwoodite for a thorough understanding of the effect of iron. We examine the effect of iron on velocity contrasts due to phase changes and conclude that iron enhances ΔVP and ΔVS across the α → β transition but suppresses them across the β → γ transition. The latter might contribute to suppress locally the 520 km discontinuity if this has a significant contribution from the β → γ transition. We show that lateral variation of iron, δx, produces lateral velocity heterogeneity ratios similar to those produced by lateral variations of temperature, δT, both producing ratios comparable to values extracted from seismic tomography studies. However, in contrast with δT, δx produces negative values for density to longitudinal and shear wave velocity ratios. This might be considered the fingerprint of lateral variations of iron concentration. These negative ratios appear similar to results inferred from geodynamical models compiled by Karato and Karki (2001) for the upper mantle and transition zone.</p>
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<abstract style="short"><p>Effect of iron on single crystal elastic constants of wadsleyite and ringwoodite Effect of iron on aggregate properties of wadsleyite and ringwoodite Geophysical implications related to the 410 km and 520 km discontinuities</p>
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<caption>Tab‐delimited Table 3.</caption>
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<supportingInfoItem><mediaResource alt="supplementary data" mimeType="text/plain" href="urn-x:wiley:01480227:media:jgrb16908:jgrb16908-sup-0004-t04"></mediaResource>
<caption>Tab‐delimited Table 4.</caption>
</supportingInfoItem>
</supportingInformation>
<abstractGroup><abstract type="main"><p xml:id="jgrb16908-para-0001" label="1">We investigate by first‐principles the influence of iron on the elastic properties of the <i>β</i>
–phase (wadsleyite) and <i>γ</i>
–phase (ringwoodite), polymorphs of olivine, the most abundant minerals of the upper and lower parts of the transition zone, respectively. Our study aims to complement experiments to understand details of the 410 km and 520 km discontinuities. The full elastic‐tensor <i>C</i>
<sub><i>ij</i>
</sub>
, bulk (K), and shear (G) moduli are determined under static conditions for <i>β</i>
–<i>γ</i>
–(Mg<sub>1–<i>x</i>
</sub>
Fe<sub>x</sub>
)<sub>2</sub>
SiO<sub>4</sub>
with <i>x</i>
= 0.125. Wave propagation anisotropy in single crystals and polarization anisotropy in aggregates with preferred orientation are investigated and compared with those of iron‐free wadsleyite and ringwoodite for a thorough understanding of the effect of iron. We examine the effect of iron on velocity contrasts due to phase changes and conclude that iron enhances Δ<i>V</i>
<sub><i>P</i>
</sub>
and Δ<i>V</i>
<sub><i>S</i>
</sub>
across the <i>α</i>
→ <i>β</i>
transition but suppresses them across the <i>β</i>
→ <i>γ</i>
transition. The latter might contribute to suppress locally the 520 km discontinuity if this has a significant contribution from the <i>β</i>
→ <i>γ</i>
transition. We show that lateral variation of iron, <i>δx</i>
, produces lateral velocity heterogeneity ratios similar to those produced by lateral variations of temperature, <i>δT</i>
, both producing ratios comparable to values extracted from seismic tomography studies. However, in contrast with <i>δT</i>
, <i>δx</i>
produces negative values for density to longitudinal and shear wave velocity ratios. This might be considered the fingerprint of lateral variations of iron concentration. These negative ratios appear similar to results inferred from geodynamical models compiled by Karato and Karki (2001) for the upper mantle and transition zone.</p>
</abstract>
<abstract type="short"><title type="main">Key Points</title>
<p xml:id="jgrb16908-para-0002"><list style="bulleted"><listItem>Effect of iron on single crystal elastic constants of wadsleyite and ringwoodite</listItem>
<listItem>Effect of iron on aggregate properties of wadsleyite and ringwoodite</listItem>
<listItem>Geophysical implications related to the 410 km and 520 km discontinuities</listItem>
</list>
</p>
</abstract>
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<mods version="3.6"><titleInfo lang="en"><title>Influence of iron on the elastic properties of wadsleyite and ringwoodite</title>
</titleInfo>
<titleInfo type="abbreviated" lang="en"><title>ELASTICITY OF β‐ AND γ‐(MG1–XFEX)2SIO4</title>
</titleInfo>
<titleInfo type="alternative" contentType="CDATA" lang="en"><title>Influence of iron on the elastic properties of wadsleyite and ringwoodite</title>
</titleInfo>
<name type="personal"><namePart type="given">M.</namePart>
<namePart type="family">Núñez‐Valdez</namePart>
<affiliation>School of Physics and Astronomy, University of Minnesota, Minnesota, Minneapolis, USA</affiliation>
<affiliation>E-mail: valdez@physics.umn.edu</affiliation>
<role><roleTerm type="text">author</roleTerm>
</role>
</name>
<name type="personal"><namePart type="given">P.</namePart>
<namePart type="family">da Silveira</namePart>
<affiliation>Scientific Computation Program, University of Minnesota, Minnesota, Minneapolis, USA</affiliation>
<role><roleTerm type="text">author</roleTerm>
</role>
</name>
<name type="personal"><namePart type="given">R. M.</namePart>
<namePart type="family">Wentzcovitch</namePart>
<affiliation>Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute, University of Minnesota, Minnesota, Minneapolis, USA</affiliation>
<role><roleTerm type="text">author</roleTerm>
</role>
</name>
<typeOfResource>text</typeOfResource>
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<originInfo><publisher>Blackwell Publishing Ltd</publisher>
<dateIssued encoding="w3cdtf">2011-12</dateIssued>
<dateCaptured encoding="w3cdtf">2011-03-19</dateCaptured>
<dateValid encoding="w3cdtf">2011-10-08</dateValid>
<edition>Núñez‐Valdez, M., P. da Silveira, and R. M. Wentzcovitch (2011), Influence of iron on the elastic properties of wadsleyite and ringwoodite, J. Geophys. Res., 116, B12207, doi:10.1029/2011JB008378.</edition>
<copyrightDate encoding="w3cdtf">2011</copyrightDate>
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<languageTerm type="code" authority="iso639-2b">eng</languageTerm>
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<extent unit="figures">12</extent>
<extent unit="tables">4</extent>
<extent unit="words">7200</extent>
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<abstract>We investigate by first‐principles the influence of iron on the elastic properties of the β–phase (wadsleyite) and γ–phase (ringwoodite), polymorphs of olivine, the most abundant minerals of the upper and lower parts of the transition zone, respectively. Our study aims to complement experiments to understand details of the 410 km and 520 km discontinuities. The full elastic‐tensor Cij, bulk (K), and shear (G) moduli are determined under static conditions for β–γ–(Mg1–xFex)2SiO4 with x = 0.125. Wave propagation anisotropy in single crystals and polarization anisotropy in aggregates with preferred orientation are investigated and compared with those of iron‐free wadsleyite and ringwoodite for a thorough understanding of the effect of iron. We examine the effect of iron on velocity contrasts due to phase changes and conclude that iron enhances ΔVP and ΔVS across the α → β transition but suppresses them across the β → γ transition. The latter might contribute to suppress locally the 520 km discontinuity if this has a significant contribution from the β → γ transition. We show that lateral variation of iron, δx, produces lateral velocity heterogeneity ratios similar to those produced by lateral variations of temperature, δT, both producing ratios comparable to values extracted from seismic tomography studies. However, in contrast with δT, δx produces negative values for density to longitudinal and shear wave velocity ratios. This might be considered the fingerprint of lateral variations of iron concentration. These negative ratios appear similar to results inferred from geodynamical models compiled by Karato and Karki (2001) for the upper mantle and transition zone.</abstract>
<abstract type="short">Effect of iron on single crystal elastic constants of wadsleyite and ringwoodite Effect of iron on aggregate properties of wadsleyite and ringwoodite Geophysical implications related to the 410 km and 520 km discontinuities</abstract>
<note type="additional physical form">Tab‐delimited Table 1.Tab‐delimited Table 2.Tab‐delimited Table 3.Tab‐delimited Table 4.</note>
<subject><genre>keywords</genre>
<topic>elasticity</topic>
<topic>ringwoodite</topic>
<topic>transition zone</topic>
<topic>wadsleyite</topic>
</subject>
<relatedItem type="host"><titleInfo><title>Journal of Geophysical Research: Solid Earth</title>
</titleInfo>
<titleInfo type="abbreviated"><title>J. Geophys. Res.</title>
</titleInfo>
<genre type="journal">journal</genre>
<subject><genre>index-terms</genre>
<topic authorityURI="http://psi.agu.org/subset/ECV">Chemistry and Physics of Minerals and Rocks/Volcanology</topic>
<topic authorityURI="http://psi.agu.org/taxonomy5/3900">MINERAL PHYSICS</topic>
<topic authorityURI="http://psi.agu.org/taxonomy5/3914">Electrical properties</topic>
<topic authorityURI="http://psi.agu.org/taxonomy5/3919">Equations of state</topic>
<topic authorityURI="http://psi.agu.org/taxonomy5/3924">High‐pressure behavior</topic>
</subject>
<subject><genre>article-category</genre>
<topic>Chemistry and Physics of Minerals and Rocks/Volcanology</topic>
</subject>
<identifier type="ISSN">0148-0227</identifier>
<identifier type="eISSN">2156-2202</identifier>
<identifier type="DOI">10.1002/(ISSN)2156-2202b</identifier>
<identifier type="CODEN">JGREA2</identifier>
<identifier type="PublisherID">JGRB</identifier>
<part><date>2011</date>
<detail type="volume"><caption>vol.</caption>
<number>116</number>
</detail>
<detail type="issue"><caption>no.</caption>
<number>B12</number>
</detail>
<extent unit="pages"><start>n/a</start>
<end>n/a</end>
<total>11</total>
</extent>
</part>
</relatedItem>
<identifier type="istex">F8E94D1CA38F9F99F43574C07B0B975D4616E0AD</identifier>
<identifier type="DOI">10.1029/2011JB008378</identifier>
<identifier type="ArticleID">2011JB008378</identifier>
<accessCondition type="use and reproduction" contentType="copyright">Copyright 2011 by the American Geophysical Union.</accessCondition>
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