GET > Pages profils > Méheut Merlin

Profil de Merlin Méheut

Méheut Merlin

Email : merlin.meheutSPAMFILTER@get.obs-mip.fr

Téléphone / phone: 26 17

Bureau / office : F119

Institution : UPS

Statut / status: Enseignant chercheur

Adresse professionnelle / address:

GET, Observatoire Midi-Pyrénées
14 avenue Edouard Belin
31400 Toulouse
France

Site perso / personal website :

My research focusses on modeling chemical properties of natural materials at the atomic scale. More specifically, I am interrested in the understanding of elementary mechanisms of isotopic fractination.

Within GET, I am working with the researchers of the Theme "Stable Isotope Geochemistry" (GIS)

Membre du conseil de laboratoire du GET

Main/Recent publications

Méheut, Merlin ; Schauble, Edwin A. ; Silicon isotope fractionation in silicate minerals: insights from first-principles models of phyllosilicates, albite and pyrope. Geochimica et Cosmochimica Acta (2014) 134, 137—154 http://dx.doi.org/10.1016/j.gca.2014.02.014

Marsalek, Ondrej ; Chen, Pei-Yang ; Dupuis, Romain ; Benoit, Magali ; Méheut, Merlin ; Bačić, Zlatko ; Tuckerman, Mark E. ;Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics. Journal of Chemical Theory and Computation (2014) 10, 1440-1453 http://dx.doi.org/10.1021/ct400911m

Zambardi, T. ; Poitrasson, F. ; Corgne, A. ; Méheut, M. ; Quitté, G. ; Anand, M. ; Silicon isotope variations in the inner solar system: Implications for planetary formation, differentiation and composition Geochimica et Cosmochimica Acta (2013) 121, 67-83 http://dx.doi.org/10.1016/j.gca.2013.06.040

Blanchard, M. ; Poitrasson, F. ; Méheut, M. ; Lazzeri, M. ; Mauri, F. ; Balan, E. Comment on  “New data on equilibrium iron isotope fractionation among sulfides: Constraints on mechanisms of sulfide formation in hydrothermal and igneous systems” by VB Polyakov and DM Soultanov Geochimica et Cosmochimica Acta (2012) 87, 356-359 http://dx.doi.org/10.1016/j.gca.2012.01.048

Javoy, M. ; Balan, E.; Meheut, M. ; Blanchard, M.; Lazzeri, M. « First-principles investigation of equilibrium isotopic fractionation of O- and Si-isotopes between refractory solids and gases in the solar nebula » Earth and Planetary Science Letters (2012) 319, 118-127 http://dx.doi.org/10.1016/j.epsl.2011.12.029

Méheut, M., Lazzeri, M. , Balan, E. and Mauri, F. First-Principles calculation of H/D isotopic fractionation between hydrous minerals and water. Geochimica et Cosmochimica Acta (2010) 74, 3874-3882 http://dx.doi.org/10.1016/j.gca.2010.04.020

Schauble, E.A., Méheut, M., Hill, P. Reconciling fractionation theory with experiments. Elements (2009), 5, 369-374 http://dx.doi.org/10.2113/gselements.5.6.369

Blanchard, M., Poitrasson, F., Méheut, M. , Lazzeri, M., Mauri, F. and Balan, E. Iron isotope fractionation between pyrite (FeS2), hematite (Fe2O3) and siderite (FeCO3): A first-principles density functional theory study. Geochim. Cosmochim. Acta (2009), 73, 6565-6578 http://dx.doi.org/10.1016/j.gca.2009.07.034

Méheut, M., Lazzeri, M. , Balan, E. and Mauri, F. Structural control over equilibrium silicon and oxygen isotopic fractionation:  A first-principles density-functional theory study. Chemical Geology (2009), 258, 28-37 http://dx.doi.org/10.1016/j.chemgeo.2008.06.051

Balan, E., Lazzeri, M., Delattre, S. , Méheut, M., Refson, K. and Winkler, B. Anharmonicity of inner-OH stretching modes in hydrous phyllosilicates: assessment from first-principles frozen-phonon calculations. Phys. Chem. Min. (2007), 34 , 621-625 http://dx.doi.org/10.1007/s00269-007-0176-4

Méheut, M., Lazzeri, M. , Balan, E. and Mauri, F. Equilibrium isotopic fractionation in the kaolinite, quartz, water system: predictions form first-principles density-functional theory.Geochim. Cosmochim. Acta (2007), 71, 3170-3181 http://dx.doi.org/10.1016/j.gca.2007.04.012

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