Marc Blanchard

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Publications

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Direct prediction of isotopic properties from molecular dynamics trajectories: Application to sulfide, sulfate and sulfur radical ions in hydrothermal fluids

Marc Blanchard , Elsa Desmaele , Gleb S Pokrovski , Carlos Pinilla , Merlin Méheut et al.
Chemical Geology, 2024, 661, pp.122202. ⟨10.1016/j.chemgeo.2024.122202⟩
Article dans une revue hal-04744419 v1
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Experimental and theoretical investigations of stable Sr isotope fractionation during its incorporation in aragonite

Jean-Michel Brazier , Marc Blanchard , Merlin Méheut , Anne-Désirée Schmitt , Jacques Schott et al.
Geochimica et Cosmochimica Acta, 2023, 358, pp.134 - 147. ⟨10.1016/j.gca.2023.08.013⟩
Article dans une revue hal-04190737 v1
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Iron and silicon isotope fractionation in silicate melts using first-principles molecular dynamics

Segolene Rabin , Marc Blanchard , Carlos Pinilla , Franck Poitrasson , Michel Grégoire
Geochimica et Cosmochimica Acta, 2023, 343, pp.212-233. ⟨10.1016/j.gca.2022.11.017⟩
Article dans une revue hal-03864317 v1
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Isotopic Constraints on the Nature of Primary Precipitates in Archean–Early Paleoproterozoic Iron Formations from Determinations of the Iron Phonon Density of States of Greenalite and 2L- and 6L-Ferrihydrite

Andy W Heard , Nicolas Dauphas , Isaac L Hinz , Jena E Johnson , Marc Blanchard et al.
ACS Earth and Space Chemistry, 2023, ⟨10.1021/acsearthspacechem.2c00313⟩
Article dans une revue hal-04044631 v1
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The Extent, Nature, and Origin of K and Rb Depletions and Isotopic Fractionations in Earth, the Moon, and Other Planetary Bodies

Nicolas Dauphas , Nicole X. Nie , Marc Blanchard , Zhe J. Zhang , Hao Zeng et al.
The Planetary Science Journal, 2022, 3, ⟨10.3847/PSJ/ac2e09⟩
Article dans une revue insu-03661489 v1
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Melt percolation, concentration and dyking in the Hawaiian mantle plume and overriding lithosphere: links to the evolution of lava composition along the volcanic chain

Azam Soltanmohammadi , Michel Grégoire , Fabrice J Fontaine , L Paul Bédard , Marc Blanchard et al.
Journal of Petrology, 2022, 63 (1), pp.1-24. ⟨10.1093/petrology/egab101⟩
Article dans une revue hal-03479591 v1
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First-principles investigation of equilibrium iron isotope fractionation in Fe1-xSx alloys at Earth's core formation conditions

Carlos Pinilla , Aldemar de Moya , Segolene Rabin , Guillaume Morard , Mathieu Roskosz et al.
Earth and Planetary Science Letters, 2021, 569, pp.117059. ⟨10.1016/j.epsl.2021.117059⟩
Article dans une revue hal-03371089 v1
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Mechanisms and rates of pyrite formation from hydrothermal fluid revealed by iron isotopes

Gleb S Pokrovski , Marc Blanchard , Gaëlle Saunier , Franck Poitrasson
Geochimica et Cosmochimica Acta, 2021, 304, pp.281 - 304. ⟨10.1016/j.gca.2021.03.006⟩
Article dans une revue hal-03238980 v1
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Influence of trace level As or Ni on pyrite formation kinetics at low temperature

C. Baya , Pierre Le Pape , B. Baptiste , J. Brest , G. Landrot et al.
Geochimica et Cosmochimica Acta, 2021, 300, pp.333-353. ⟨10.1016/j.gca.2021.01.042⟩
Article dans une revue hal-03164649 v1

A stable isotope toolbox for water and inorganic carbon cycle studies

Claude Hillaire-Marcel , Sang-Tae Kim , Amaëlle Landais , Prosenjit Ghosh , Sergey Assonov et al.
Nature Reviews Earth & Environment, 2021, ⟨10.1038/s43017-021-00209-0⟩
Article dans une revue hal-03359746 v1
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Clues from ab initio calculations on titanium isotopic fractionation in tholeiitic and calc-alkaline magma series

Sarah M Aarons , Nicolas Dauphas , Marc Blanchard , Hao Zeng , Nicole Xike X Nie et al.
ACS Earth and Space Chemistry, 2021, 5 (9), pp.2466-2480. ⟨10.1021/acsearthspacechem.1c00172⟩
Article dans une revue hal-03368964 v1
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Experimental and theoretical modelling of kinetic and equilibrium Ba isotope fractionation during calcite and aragonite precipitation

Vasileios Mavromatis , Kirsten van Zuilen , Marc Blanchard , Mark van Zuilen , Martin Dietzel et al.
Geochimica et Cosmochimica Acta, 2020, 269, pp.566-580. ⟨10.1016/j.gca.2019.11.007⟩
Article dans une revue hal-02995152 v1
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First-principles modeling of X-ray absorption spectra enlightens the processes of scandium sequestration by iron oxides

Mathieu Chassé , Marc Blanchard , Delphine Cabaret , Amélie Juhin , Delphine Vantelon et al.
The American Mineralogist, 2020, 105 (7), pp.1099-1103. ⟨10.2138/am-2020-7308⟩
Article dans une revue hal-02945509 v1
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Structure and theoretical infrared spectra of OH defects in quartz

Michael C Jollands , Marc Blanchard , Etienne Balan
European Journal of Mineralogy, 2020, 32 (3), pp.311-323. ⟨10.5194/ejm-32-311-2020⟩
Article dans une revue hal-02994712 v1
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The Xe‐SiO 2 System at Moderate Pressure and High Temperature

Céline Crépisson , C. Sanloup , M. Blanchard , Jessica Hudspeth , K. Glazyrin et al.
Geochemistry, Geophysics, Geosystems, 2019, 20 (2), pp.992-1003. ⟨10.1029/2018GC007779⟩
Article dans une revue hal-02107610 v2
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First-principles modeling of chlorine isotope fractionation between chloride-bearing molecules and minerals

Etienne Balan , Laura Créon , Chrystèle Sanloup , Jérôme Aléon , Marc Blanchard et al.
Chemical Geology, 2019, 525, pp.424-434. ⟨10.1016/j.chemgeo.2019.07.032⟩
Article dans une revue hal-02326016 v1
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The nature and partitioning of invisible gold in the pyrite-fluid system

Gleb S. Pokrovski , Maria M. Kokh , Olivier Proux , Jean-Louis F Hazemann , Elena Bazarkina et al.
Ore Geology Reviews, 2019, 109, pp.545-563. ⟨10.1016/j.oregeorev.2019.04.024⟩
Article dans une revue hal-02175624 v1
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New constraints on Xe incorporation mechanisms in olivine from first-principles calculations

Céline Crépisson , Marc Blanchard , Michele Lazzeri , Etienne Balan , Chrystèle Sanloup
Geochimica et Cosmochimica Acta, 2018, 222, pp.146-155. ⟨10.1016/j.gca.2017.10.028⟩
Article dans une revue hal-01653380 v1
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Kr environment in feldspathic glass and melt: A high pressure, high temperature X-ray absorption study

Céline Crépisson , Chrystèle Sanloup , Laurent Cormier , Marc Blanchard , Jessica Hudspeth et al.
Chemical Geology, 2018, 493, pp.525-531. ⟨10.1016/j.chemgeo.2018.07.008⟩
Article dans une revue hal-01867322 v1
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Infrared spectroscopic study of the synthetic Mg–Ni talc series

Marc Blanchard , Merlin Meheut , Louise Delon , Mathilde Poirier , Pierre Micoud et al.
Physics and Chemistry of Minerals, 2018, 45 (9), pp.843-854. ⟨10.1007/s00269-018-0966-x⟩
Article dans une revue hal-02107565 v1

Local environment of arsenic in sulfide minerals: insights from high-resolution X-ray spectroscopies, and first-principles calculations at the As K-edge

Pierre Le Pape , Marc Blanchard , Amélie Juhin , Rueff Jean-Pascal , Manoj Ducher et al.
Journal of Analytical Atomic Spectrometry, 2018, 33 (12), pp.2070-2082. ⟨10.1039/c8ja00272j⟩
Article dans une revue hal-02107588 v1
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Theoretical isotopic fractionation between structural boron in carbonates and aqueous boric acid and borate ion

Etienne Balan , Johanna Noireaux , Vasileios Mavromatis , Giuseppe Saldi , Valérie Montouillout et al.
Geochimica et Cosmochimica Acta, 2018, 222, pp.117-129. ⟨10.1016/j.gca.2017.10.017⟩
Article dans une revue hal-01628373 v1
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Equilibrium isotopic fractionation between aqueous Zn and minerals from first-principles calculations

Manoj Ducher , Marc Blanchard , Etienne Balan
Chemical Geology, 2018, 483, pp.342-350. ⟨10.1016/j.chemgeo.2018.02.040⟩
Article dans une revue hal-02107534 v1
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Site-specific equilibrium isotopic fractionation of oxygen, carbon and calcium in apatite

Julie Aufort , Loïc Ségalen , Christel Gervais , Lorenzo Paulatto , Marc Blanchard et al.
Geochimica et Cosmochimica Acta, 2017, 219, pp.57-73. ⟨10.1016/j.gca.2017.09.020⟩
Article dans une revue hal-01598388 v1
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Infrared spectroscopic study of sulfate-bearing calcite from deep-sea bamboo coral

Etienne Balan , Julie Aufort , Sophie Pouillé , Marie Dabos , Marc Blanchard et al.
European Journal of Mineralogy, 2017, 29 (3), pp.397-408. ⟨10.1127/ejm/2017/0029-2611⟩
Article dans une revue hal-02107464 v1
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Equilibrium Fractionation of Non-traditional Isotopes: a Molecular Modeling Perspective

Marc Blanchard , Etienne Balan , Edwin A Schauble
Reviews in Mineralogy and Geochemistry, 2017, 82 (1), pp.27-63. ⟨10.2138/rmg.2017.82.2⟩
Article dans une revue hal-02108218 v1
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Van der Waals contribution to the relative stability of aqueous Zn(2+) coordination states

Manoj Ducher , Fabio Pietrucci , Etienne Balan , Guillaume Ferlat , Lorenzo Paulatto et al.
Journal of Chemical Theory and Computation, 2017, ⟨10.1021/acs.jctc.7b00455⟩
Article dans une revue hal-01542837 v1
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Theoretical Raman spectrum and anharmonicity of tetrahedral OH defects in hydrous forsterite

Etienne Balan , Marc Blanchard , Michele Lazzeri , Jannick Ingrin
European Journal of Mineralogy, 2017, 29 (2), pp.201 - 212. ⟨10.1127/ejm/2017/0029-2599⟩
Article dans une revue hal-01613308 v1
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Effect of iron and trivalent cations on OH defects in olivine

Marc Blanchard , Jannick Ingrin , Etienne Balan , Istvan Kovacs , Anthony C. Withers
The American Mineralogist, 2017, 102 (2), pp.302-311. ⟨10.2138/am-2017-5777⟩
Article dans une revue hal-02107418 v1

Combination of Inelastic Neutron Scattering Experiments and ab Initio Quantum Calculations for the Study of the Hydration Properties of Oriented Saponites

M. Jiménez-Ruiz , E. Ferrage , M. Blanchard , J. Fernandez-Castanon , Alfred Delville et al.
Journal of Physical Chemistry C, 2017, 121 (9), pp.5029 - 5040. ⟨10.1021/acs.jpcc.6b11836⟩
Article dans une revue hal-01935181 v1
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Equilibrium zinc isotope fractionation in Zn-bearing minerals from first-principles calculations

Manoj Ducher , Marc Blanchard , Etienne Balan
Chemical Geology, 2016, 443, pp.87 - 96. ⟨10.1016/j.chemgeo.2016.09.016⟩
Article dans une revue hal-01376665 v1
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Arsenic incorporation in pyrite at ambient temperature at both tetrahedral S-I and octahedral Fe+II sites: evidence from EXAFS-DFT analysis

Pierre Le Pape , Marc Blanchard , Jessica Brest , Jean-Claude Boulliard , Maya Ikogou et al.
Environmental Science and Technology, 2016, ⟨10.1021/acs.est.6b03502⟩
Article dans une revue hal-01401681 v1
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First-principles study of boron speciation in calcite and aragonite

Etienne Balan , Fabio Pietrucci , Christel Gervais , Marc Blanchard , Jacques Schott et al.
Geochimica et Cosmochimica Acta, 2016, 193, pp.119-131. ⟨10.1016/j.gca.2016.07.026⟩
Article dans une revue hal-01371923 v1

Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001)

Sara Laporte , Fabio Finocchi , Lorenzo Paulatto , Marc Blanchard , Etienne Balan et al.
Physical Chemistry Chemical Physics, 2015, 17 (31), pp.20382-20390. ⟨10.1039/c5cp02097b⟩
Article dans une revue hal-01323393 v1
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Pressure-induced phase transition in MnCO3and its implications on the deep carbon cycle

Eglantine Boulard , Alexander F. Goncharov , Marc Blanchard , Wendy L. Mao
Journal of Geophysical Research, 2015, 120 (6), pp.4069-4079. ⟨10.1002/2015JB011901⟩
Article dans une revue hal-01222566 v1
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Probing the local environment of substitutional Al3+ in goethite using X-ray absorption spectroscopy and first-principles calculations

Manoj Ducher , Marc Blanchard , Delphine Vantelon , Ruidy Nemausat , Delphine Cabaret
Physics and Chemistry of Minerals, 2015, 43 (3), pp.217-227. ⟨10.1007/s00269-015-0788-z⟩
Article dans une revue hal-01262097 v1

Equilibrium magnesium isotope fractionation between aqueous Mg2+ and carbonate minerals: Insights from path integral molecular dynamics

Carlos Pinilla , Marc Blanchard , Etienne Balan , Suresh K. Natarajan , Rodolphe Vuilleumier et al.
Geochimica et Cosmochimica Acta, 2015, 163, pp.126-139. ⟨10.1016/j.gca.2015.04.008⟩
Article dans une revue hal-01222600 v1

Theoretical study of the local charge compensation and spectroscopic properties of B‑type carbonate defects in apatite

Haohao Yi , Etienne Balan , Christel Gervais , Loïc Segalen , Marc Blanchard et al.
Physics and Chemistry of Minerals, 2014, 41, pp.347-359. ⟨10.1007/s00269-013-0654-9⟩
Article dans une revue hal-01010568 v1

Identification of hydrogen defects linked to boron substitution in synthetic forsterite and natural olivine

J. Ingrin , I. Kovacs , E. Deloule , E. Balan , M. Blanchard et al.
The American Mineralogist, 2014, 99 (10), pp.2138-2141. ⟨10.2138/am-2014-5049⟩
Article dans une revue hal-01093338 v1

First-principles modeling of sulfate incorporation and 34S/32S isotopic fractionation in different calcium carbonates

Etienne Balan , Marc Blanchard , Carlos Pinilla , Michele Lazzeri
Chemical Geology, 2014, 374-375, pp.84-91. ⟨10.1016/j.chemgeo.2014.03.004⟩
Article dans une revue hal-01010570 v1

Contribution of interstitial OH groups to the incorporation of water in forsterite

Etienne Balan , Marc Blanchard , Michele Lazzeri , Jannick Ingrin
Phys Chem Minerals, 2014, 41, pp.105-114. ⟨10.1007/s00269-013-0628-y⟩
Article dans une revue hal-01010567 v1

Infrared spectroscopic properties of goethite: anharmonic broadening, long‑range electrostatic effects and Al substitution

Marc Blanchard , Etienne Balan , Paola Giura , Keevin Béneut , Haohao Yi et al.
Phys Chem Minerals, 2014, 41, pp.289-302. ⟨10.1007/s00269-013-0648-7⟩
Article dans une revue hal-00981612 v1
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Clumped fluoride-hydroxyl defects in forsterite:Implications for the upper-mantle

Céline Crépisson , Marc Blanchard , Hélène Bureau , Chrystèle Sanloup , Anthony C. Withers et al.
Earth and Planetary Science Letters, 2014, 390, pp.287-295. ⟨10.1016/j.epsl.2014.01.020⟩
Article dans une revue hal-00959948 v1

Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics

Carlos Pinilla , Marc Blanchard , Etienne Balan , Guillaume Ferlat , Rodolphe Vuilleumier et al.
Geochimica et Cosmochimica Acta, 2014, 135, pp.203-216. ⟨10.1016/j.gca.2014.03.027⟩
Article dans une revue hal-01010571 v1

Theoretical infrared spectrum of partially protonated cationic vacancies in forsterite

Celine Crepisson , Helene Bureau , Marc Blanchard , Jannick Ingrin , Etienne Balan
Eur. J. Mineral., 2014, 26, pp.203-210. ⟨10.1127/0935-1221/2014/0026-2366⟩
Article dans une revue hal-00981620 v1
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Reduced partition function ratios of iron and oxygen in goethite

Marc Blanchard , N. Dauphas , M.Y. Hu , M. Roskosz , E.E. Alp et al.
Geochimica et Cosmochimica Acta, 2014, 151, pp.19-33. ⟨10.1016/j.gca.2014.12.006⟩
Article dans une revue hal-01096956 v1

Infrared signatures of OH-defects in wadsleyite: A first-principles study

Marc Blanchard , Mathilde Roberge , Etienne Balan , Guillaume Fiquet , Hélène Bureau
The American Mineralogist, 2013, 98, pp.2132-2143. ⟨10.2138/am.2013.4468⟩
Article dans une revue hal-00981446 v1
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A carbonate-fluoride defect model for carbonate-rich fluorapatite

Haohao Yi , Etienne Balan , Christel Gervais , Loïc Ségalen , Franck Fayon et al.
The American Mineralogist, 2013, 98, pp.1066-1069. ⟨10.2138/am.2013.4445⟩
Article dans une revue hal-00823261 v1

First-principles study of OH defects in zircon

Etienne Balan , Haohao Yii , Marc Blanchard
Phys Chem Minerals, 2013, 40, pp.547-554. ⟨10.1007/s00269-013-0591-7⟩
Article dans une revue istex hal-01010565 v1

Theoretical study of OH-defects in pure enstatite

Etienne Balan , Marc Blanchard , Haohao Yi , Jannick Ingrin
Phys Chem Minerals, 2013, 40, pp.41-50. ⟨10.1007/s00269-012-0544-6⟩
Article dans une revue istex hal-01010563 v1

Experimental and theoretical study of the vibrational properties of diaspore (a-AlOOH)

Simon Delattre , Etienne Balan , Michele Lazzeri , Marc Blanchard , Maxime Guillaumet et al.
Phys Chem Minerals, 2012, 39, pp.93-102. ⟨10.1007/s00269-011-0464-x⟩
Article dans une revue istex hal-00668196 v1

First-principles investigation of equilibrium isotopic fractionation of O- and Si-isotopes between refractory solids and gases in the solar nebula

Marc Javoy , Etienne Balan , Merlin Méheut , Marc Blanchard , Michele Lazzeri
Earth and Planetary Science Letters, 2012, 319, pp.118-127. ⟨10.1016/j.epsl.2011.12.029⟩
Article dans une revue istex hal-00668201 v1

First-principles simulation of arsenate adsorption on the (11̄2) surface of hematite

Marc Blanchard , Guillaume Morin , Michele Lazzeri , Etienne Balan , Ismaila Dabo
Geochimica et Cosmochimica Acta, 2012, 86, pp.182
Article dans une revue hal-00745480 v1

Theoretical infrared spectrum of OH-defects in forsterite

Etienne Balan , Jannick Ingrin , Simon Delattre , Istvan Kovacs , Marc Blanchard
Eur. J. Mineral., 2011, 23, pp.285-292. ⟨10.1127/0935-1221/2011/0023-2090⟩
Article dans une revue hal-00643638 v1

Spectroscopic investigation and theoretical modeling of kaolinite-group minerals and other low-temperature phases

Etienne Balan , Emmanuel Fritsch , Thierry Allard , Guillaume Morin , Maxime Guillaumet et al.
Comptes Rendus. Géoscience, 2011, 343, pp.177-187. ⟨10.1016/j.crte.2010.10.006⟩
Article dans une revue istex insu-03606500 v1

Line-broadening effects in the powder infrared spectrum of apatite

Etienne Balan , Simon Delattre , Damien Roche , Loïc Segalen , Guillaume Morin et al.
Phys Chem Minerals, 2011, 38, pp.111-122. ⟨10.1007/s00269-010-0388-x⟩
Article dans une revue istex hal-00643649 v1

Spectroscopic investigation and theoretical modeling of kaolinite-group minerals and other low-temperature phases

Etienne Balan , Emmanuel Fritsch , Thierry Allard , Guillaume Morin , Maxime Guillaumet et al.
Comptes Rendus. Géoscience, 2011, 343 (2-3), pp.177-187. ⟨10.1016/j.crte.2010.10.006⟩
Article dans une revue istex hal-00643665 v1

First-principles study of the structural and isotopic properties of Al- and OH-bearing hematite

Marc Blanchard , Guillaume Morin , Michele Lazzeri , Etienne Balan
Geochimica et Cosmochimica Acta, 2010, 74, pp.3948-3962. ⟨10.1016/j.gca.2010.04.018⟩
Article dans une revue istex hal-00642496 v1

A computer simulation study of the effect of pressure on Mg diffusion in forsterite

Frederic Bejina , Marc Blanchard , Kate Wright , G. David Price
Physics of the Earth and Planetary Interiors, 2009, 172 (172), pp.13-19. ⟨10.1016/j.pepi.2008.04.008⟩
Article dans une revue istex hal-00420992 v1

Incorporation of water in iron-free ringwoodite: A first-principles study

Marc Blanchard , Etienne Balan , Kate Wright
The American Mineralogist, 2009, 94, pp.83-89. ⟨10.2138/am.2009.3020⟩
Article dans une revue hal-00420984 v1

Iron isotope fractionation between pyrite (FeS2), hematite (Fe2O3) and siderite (FeCO3): A first-principles density functional theory study

Marc Blanchard , Franck Poitrasson , Merlin Meheut , Michele Lazzeri , Francesco Mauri et al.
Geochimica et Cosmochimica Acta, 2009, 73, pp.6565-6578. ⟨10.1016/j.gca.2009.07.034⟩
Article dans une revue istex hal-00420994 v1

Theoretical infrared absorption coefficient of OH groups in minerals

Etienne Balan , Keith Refson , Marc Blanchard , Simon Delattre , Michele Lazzeri et al.
The American Mineralogist, 2008, 93, pp.950-953. ⟨10.2138/am.2008.2889⟩
Article dans une revue hal-00333465 v1

Surface modes in the infrared spectrum of hydrous minerals: the OH stretching modes of bayerite

Etienne Balan , Marc Blanchard , Jean-François Hochepied , Michele Lazzeri
Phys Chem Minerals, 2008, pp.1. ⟨10.1007/s00269-008-0221-y⟩
Article dans une revue istex hal-00333470 v1
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A computer simulation study of the effect of pressure on Mg diffusion in forsterite

Frédéric B'Ejina , Marc Blanchard , Kate Wright , G. David Price
Physics of the Earth and Planetary Interiors, 2008, 172 (1-2), pp.13. ⟨10.1016/j.pepi.2008.04.008⟩
Article dans une revue istex hal-00532144 v1

First-principles calculation of the infrared spectrum of hematite

Marc Blanchard , Michele Lazzeri , Francesco Mauri , Etienne Balan
The American Mineralogist, 2008, 93, pp.1019-1027. ⟨10.2138/am.2008.2813⟩
Article dans une revue hal-00333556 v1

Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study

Marc Blanchard , Maria Alfredsson , John Brodholt , Kate Wright , C. Richard A. Catlow
Geochimica et Cosmochimica Acta, 2007, 71, pp.624-630. ⟨10.1016/j.gca.2006.09.021⟩
Article dans une revue hal-00642487 v1

Adsorption of As(OH)3 on the (001) Surface of FeS2 Pyrite: A Quantum-mechanical DFT Study

Marc Blanchard , Kate Wright , Julian D. Gale , C. Richard A. Catlow
Journal of Physical Chemistry C, 2007, 111, pp.11390-11396. ⟨10.1021/jp072468v⟩
Article dans une revue istex hal-00642482 v1