@article{PohlenzRosaMathonetal.2018,
  author    = {Pohlenz, Julia and Rosa, A. D. and Mathon, O. and Pascarelli, S. and Belin, S. and Landrot, G. and Murzin, V. and Veligzhanin, A. and Shiryaev, A. and Irifune, T. and Wilke, Max},
  title     = {Structural controls of CO2 on Y, La and Sr incorporation in sodium-rich silicate - carbonate melts by in-situ high P-T EXAFS},
  series = {Chemical geology : official journal of the European Association for Geochemistry},
  volume    = {486},
  journal   = {Chemical geology : official journal of the European Association for Geochemistry},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0009-2541},
  doi       = {10.1016/j.chemgeo.2017.12.023},
  pages     = {1 -- 15},
  year      = {2018},
  abstract  = {Carbonate-rich silicate and carbonate melts play a crucial role in deep Earth magmatic processes and their melt structure is a key parameter, as it controls physical and transport properties. Carbon-rich melts can be strongly enriched in trace elements, but the structural incorporation mechanisms of these elements are difficult to study because such melts generally cannot be quenched to glasses. In this contribution we investigate the influence of CO2 on the local environments of trace elements contained in silicate glasses with variable CO2 concentrations and in silicate and carbonate melts. The melts were studied in-situ at high pressure and temperature conditions using the Paris-Edinburgh press (2.2 to 2.6 GPa and 1200 to 1500 degrees C). The compositions studied include sodium-rich peralkaline silicate melts and glasses and carbonate melts similar to those occurring naturally at Oldoinyo Lengai volcano. The local environments of yttrium (Y), lanthanum (La) and strontium (Sr) were investigated using extended X-ray absorption fine structure (EXAFS) spectroscopy. Main findings of the study suggest: (1) In peralkaline silicate glasses the local structure of Y is unaffected by the CO2 content. Contrary, a slight increase of oxygen bond lengths of Sr and La is inferred with increasing CO2 content in peralkaline glasses, while they remain constant in glasses of even higher peralkalinity independent of the CO2 content. (2) In silicate melts of different CO2 contents Y-O bond lengths are constant, while a slight increase within carbonate melt compositions is deduced. On the other hand, a steady bond lengths increase over the whole compositional range is inferred for La-O and Sr-O. This may well be explained by distinct preferences of these elements for specific local environments. Based on these new data, we suggest potential mechanisms for the structural incorporation of these elements, a key step towards understanding their partitioning behavior in natural magmatic systems.},
  language  = {en}
}
@article{CerantolaWilkeKantoretal.2019,
  author    = {Cerantola, Valerio and Wilke, Max and Kantor, Innokenty and Ismailova, Leyla and Kupenko, Ilya and McCammon, Catherine and Pascarelli, Sakura and Dubrovinsky, Leonid S.},
  title     = {Experimental investigation of FeCO3 (siderite) stability in Earth's lower mantle using XANES spectroscopy},
  series = {American mineralogist : an international journal of earth and planetary materials},
  volume    = {104},
  journal   = {American mineralogist : an international journal of earth and planetary materials},
  number    = {8},
  publisher = {Mineralogical Society of America},
  address   = {Chantilly},
  issn      = {0003-004X},
  doi       = {10.2138/am-2019-6428},
  pages     = {1083 -- 1091},
  year      = {2019},
  abstract  = {We studied FeCO3 using Fe K-edge X-ray absorption near-edge structure (XANES) spectroscopy at pressures up to 54 GPa and temperatures above 2000 K. First-principles calculations of Fe at the K-edge in FeCO3 were performed to support the interpretation of the XANES spectra. The variation of iron absorption edge features with pressure and temperature in FeCO3 matches well with recently reported observations on FeCO3 at extreme conditions, and provides new insight into the stability of Fe-carbonates in Earth's mantle. Here we show that at conditions of the mid-lower mantle, ~50 GPa and ~2200 K, FeCO3 melts and partially decomposes to high-pressure Fe3O4. Carbon (diamond) and oxygen are also inferred products of the reaction. We constrained the thermodynamic phase boundary between crystalline FeCO3 and melt to be at 51(1) GPa and ~1850 K. We observe that at 54(1) GPa, temperature-induced spin crossover of Fe2+ takes place from low to high spin such that at 1735(100) K, all iron in FeCO3 is in the high-spin state. A comparison between experiment and theory provides a more detailed understanding of FeCO3 decomposition observed in X-ray absorption spectra and helps to explain spectral changes due to pressure-induced spin crossover in FeCO3 at ambient temperature.},
  language  = {en}
}
@article{KutzschbachGuttmannMarquardtetal.2018,
  author    = {Kutzschbach, Martin and Guttmann, Peter and Marquardt, K. and Werner, S. and Henzler, K. D. and Wilke, Max},
  title     = {A transmission x-ray microscopy and NEXAFS approach for studying corroded silicate glasses at the nanometre scale},
  series = {European journal of glass science and technology / Deutsche Glastechnische Gesellschaft (DGG) and the Society of Glass Technology (SGT). B, Physics and chemistry of glasses},
  volume    = {59},
  journal   = {European journal of glass science and technology / Deutsche Glastechnische Gesellschaft (DGG) and the Society of Glass Technology (SGT). B, Physics and chemistry of glasses},
  number    = {1},
  publisher = {Society of Glass Technology},
  address   = {Sheffield},
  issn      = {1753-3562},
  doi       = {10.13036/17533562.59.1.043},
  pages     = {11 -- 26},
  year      = {2018},
  abstract  = {In this study transmission X-ray microscopy (TXM) was tested as a method to investigate the chemistry and structure of corroded silicate glasses at the nanometer scale. Three different silicate glasses were altered in static corrosion experiments for 1-336 hours at temperatures between 60 degrees C and 85 degrees C using a 25\% HCl solution. Thin lamellas were cut perpendicular to the surface of corroded glass monoliths and were analysed with conventional TEM as well as with TXM. By recording optical density profiles at photon energies around the Na and O K-edges, the shape of the corrosion rim/pristine glass interfaces and the thickness of the corrosion rims has been determined. Na and O near-edge X-ray absorption fine-structure spectra (NEXAFS) were obtained without inducing irradiation damage and have been used to detect chemical changes in the corrosion rims. Spatially resolved NEXAFS spectra at the O K-edge provided insight to structural changes in the corrosion layer on the atomic scale. By comparison to O K-edge spectra of silicate minerals and (hydrous) albite glass as well as to O K-edge NEXAFS of model structures simulated with ab initio calculations, evidence is provided that changes of the fine structure at the O K-edge are assigned to the formation of siloxane groups in the corrosion rim.},
  language  = {en}
}
@article{FargesdeWispelaereRossanoetal.2008,
  author    = {Farges, Francois and de Wispelaere, S. and Rossano, Stephanie and Munoz, Manuel and Wilke, Max and Flank, Anne-Marie and Lagarde, Pierre},
  title     = {Local structures around Si, Al, and Na in hydrated silicate glasses},
  year      = {2008},
  language  = {en}
}
@article{NabelekLabotkaHelmsetal.2006,
  author    = {Nabelek, Peter I. and Labotka, Theodore C. and Helms, Thomas S. and Wilke, Max},
  title     = {Fluid-mediated polymetamorphism related to proterozoic collision of Archean Wyoming and Superior Provinces in the Black Hills, South Dakota},
  year      = {2006},
  language  = {en}
}
@article{NabelekLabotkaHelmsetal.2005,
  author    = {Nabelek, Peter I. and Labotka, Theodore C. and Helms, Thomas S. and Wilke, Max},
  title     = {Fluid-mediated mineral consumption and growth in polymetamorphosed metapelites of the Black Hills, South Dakota},
  issn      = {0016-7037},
  year      = {2005},
  language  = {en}
}
@article{PetitgirardSahleWeisetal.2019,
  author    = {Petitgirard, Sylvian and Sahle, C. J. and Weis, C. and Gilmore, K. and Spiekermann, Georg and Tse, J. S. and Wilke, Max and Cavallari, C. and Cerantola, V and Sternemann, Christian},
  title     = {Magma properties at deep Earth's conditions from electronic structure of silica},
  series = {Geochemical perspectives letters},
  volume    = {9},
  journal   = {Geochemical perspectives letters},
  publisher = {Association of Geochemistry},
  address   = {Paris},
  issn      = {2410-339X},
  doi       = {10.7185/geochemlet.1902},
  pages     = {32 -- 37},
  year      = {2019},
  abstract  = {SiO(2 )is the main component of silicate melts and thus controls their network structure and physical properties. The compressibility and viscosities of melts at depth are governed by their short range atomic and electronic structure. We measured the O K-edge and the Si L-2,L-3-edge in silica up to 110 GPa using X-ray Raman scattering spectroscopy, and found a striking match to calculated spectra based on structures from molecular dynamic simulations. Between 20 and 27 GPa, Si-[4] species are converted into a mixture of Si-[5] and Si-[6] species and between 60 and 70 GPa, Si-[6] becomes dominant at the expense of Si-[5] with no further increase up to at least 110 GPa. Coordination higher than 6 is only reached beyond 140 GPa, corroborating results from Brillouin scattering. Network modifying elements in silicate melts may shift this change in coordination to lower pressures and thus magmas could be denser than residual solids at the depth of the core-mantle boundary.},
  language  = {en}
}
@article{RosaPohlenzdeGrouchyetal.2016,
  author    = {Rosa, A. D. and Pohlenz, Julia and de Grouchy, C. and Cochain, B. and Kono, Y. and Pasternak, S. and Mathon, O. and Irifune, T. and Wilke, Max},
  title     = {In situ characterization of liquid network structures at high pressure and temperature using X-ray absorption spectroscopy coupled with the Paris-Edinburgh press},
  series = {High pressure research},
  volume    = {36},
  journal   = {High pressure research},
  publisher = {American Geophysical Union},
  address   = {Abingdon},
  issn      = {0895-7959},
  doi       = {10.1080/08957959.2016.1199693},
  pages     = {332 -- 347},
  year      = {2016},
  abstract  = {We review recent progress in studying structural properties of liquids using X-ray absorption spectroscopy coupled with the Paris-Edinburgh press at third-generation synchrotron facilities. This experimental method allows for detecting subtle changes in atomic arrangements of melts over a wide pressure-temperature range. It has been also employed to monitor variations of the local coordination environment of diluted species contained in glasses, liquids and crystalline phases as a function of the pressure and temperature. Such information is of great importance for gaining deeper insights into the physico-chemical properties of liquids at extreme condition, including the understanding of such phenomena as liquid-liquid phase transitions, viscosity drops and various transport properties of geological melts. Here, we describe the experimental approach and discuss its potential in structural characterization on selected scientific highlights. Finally, the current ongoing instrumental developments and future scientific opportunities are discussed.},
  language  = {en}
}
@article{MicklerMoennerUhlemannetal.1999,
  author    = {Mickler, Wulfhard and M{\"o}nner, Anke and Uhlemann, Erhard and Wilke, S. and M{\"u}ller, H.},
  title     = {Transfer of ß-diketone and 4-acylpyrazolone anions across the electrified water nitrobenzene interface},
  year      = {1999},
  language  = {en}
}
@article{FargesDjanarthanydeWispelaereetal.2005,
  author    = {Farges, Francois and Djanarthany, S and de Wispelaere, S and Munoz, Manuel and Magassouba, B and Haddi, A and Wilke, Max and Schmidt, C. and Borchert, Manuela and Trocellier, P and Crichton, W and Simionovici, Alexandre and Petit, Pierre-Emanuel and Mezouar, Mohamed and Etcheverry, M. P. and Pallot-Frossard, I and Bargar, John Reeder and Brown, G. E. and Grolimund, D and Scheidegger, A},
  title     = {Water in silicate glasses and melts of environmental interest : from volcanoes to cathedrals},
  year      = {2005},
  abstract  = {In silicate glasses and melts, water acts according to two main processes. First, it can be dissolved in high temperature/high pressure melts. Second, it constitutes a weathering agent on the glass surface. A number of in-situ x- ray absorption fine structure (XAFS) studies for Fe, Ni, Zr, Th and U show that the more charged cations (Zr, Nb, Mo, Ta, Sn, Th and U) are little affected by the presence of dissolved water in the melt. In contrast, divalent iron and nickel are highly sensitive to the presence of water, which enhance nucleation processes, for example, of phyllosilicates at the angstrom-scale. Such information provides additional constraints on the role of water deep in the Earth, particularly in magmatology. By contrast, the weathering of glass surfaces by water can be studied from a durability perspective. Experimental weathering experiments Of nuclear waste glasses performed in the laboratory show a variety of surface enrichments (carbon, chlorine, alkalis, iron) after exposure to atmospheric fluids and moisture. Mn-, and Fe-surface enrichments of analogous glasses of the XIVth century are related to the formation of Mn and Fe oxy/ hydroxides on the surface. The impact on the glass darkening is considered in terms of urban pollution and mass tourism},
  language  = {en}
}
@misc{SpiekermannHarderGilmoreetal.2019,
  author    = {Spiekermann, Georg and Harder, M. and Gilmore, Keith and Zalden, Peter and Sahle, Christoph J. and Petitgirard, Sylvain and Wilke, Max and Biedermann, Nicole and Weis, Thomas and Morgenroth, Wolfgang and Tse, John S. and Kulik, E. and Nishiyama, Norimasa and Yava{\c{s}}, Hasan and Sternemann, Christian},
  title     = {Persistent Octahedral Coordination in Amorphous GeO₂ Up to 100 GPa by Kβ'' X-Ray Emission Spectroscopy},
  series = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  number    = {699},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-42775},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-427755},
  year      = {2019},
  abstract  = {We measure valence-to-core x-ray emission spectra of compressed crystalline GeO₂ up to 56 GPa and of amorphous GeO₂ up to 100 GPa. In a novel approach, we extract the Ge coordination number and mean Ge-O distances from the emission energy and the intensity of the Kβ'' emission line. The spectra of high-pressure polymorphs are calculated using the Bethe-Salpeter equation. Trends observed in the experimental and calculated spectra are found to match only when utilizing an octahedral model. The results reveal persistent octahedral Ge coordination with increasing distortion, similar to the compaction mechanism in the sequence of octahedrally coordinated crystalline GeO₂ high-pressure polymorphs.},
  language  = {en}
}
@article{SpiekermannHarderGilmoreetal.2019,
  author    = {Spiekermann, Georg and Harder, M. and Gilmore, Keith and Zalden, Peter and Sahle, Christoph J. and Petitgirard, Sylvain and Wilke, Max and Biedermann, Nicole and Weis, Thomas and Morgenroth, Wolfgang and Tse, John S. and Kulik, E. and Nishiyama, Norimasa and Yava{\c{s}}, Hasan and Sternemann, Christian},
  title     = {Persistent Octahedral Coordination in Amorphous GeO₂ Up to 100 GPa by Kβ'' X-Ray Emission Spectroscopy},
  series = {Physical Review X},
  volume    = {9},
  journal   = {Physical Review X},
  number    = {1},
  publisher = {American Physical Society by the American Institute of Physics},
  address   = {Melville, NY},
  issn      = {2469-9926},
  doi       = {10.1103/PhysRevX.9.011025},
  pages     = {10},
  year      = {2019},
  abstract  = {We measure valence-to-core x-ray emission spectra of compressed crystalline GeO₂ up to 56 GPa and of amorphous GeO₂ up to 100 GPa. In a novel approach, we extract the Ge coordination number and mean Ge-O distances from the emission energy and the intensity of the Kβ'' emission line. The spectra of high-pressure polymorphs are calculated using the Bethe-Salpeter equation. Trends observed in the experimental and calculated spectra are found to match only when utilizing an octahedral model. The results reveal persistent octahedral Ge coordination with increasing distortion, similar to the compaction mechanism in the sequence of octahedrally coordinated crystalline GeO₂ high-pressure polymorphs.},
  language  = {en}
}
@article{BlanchardPetitgirardLaurenzetal.2022,
  author    = {Blanchard, Ingrid and Petitgirard, Sylvain and Laurenz, Vera and Miyajima, Nobuyoshi and Wilke, Max and Rubie, David C. and Lobanov, Sergey S. and Hennet, Louis and Morgenroth, Wolfgang and Tucoulou, R{\´e}mi and Bonino, Valentina and Zhao, Xuchao and Franchi, Ian},
  title     = {Chemical analysis of trace elements at the nanoscale in samples recovered from laser-heated diamond anvil cell experiments},
  series = {Physics and chemistry of minerals},
  volume    = {49},
  journal   = {Physics and chemistry of minerals},
  number    = {6},
  publisher = {Springer},
  address   = {New York},
  issn      = {0342-1791},
  doi       = {10.1007/s00269-022-01193-7},
  pages     = {16},
  year      = {2022},
  abstract  = {High pressure and high temperature experiments performed with laser-heated diamond anvil cells (LH-DAC) are being extensively used in geosciences to study matter at conditions prevailing in planetary interiors. Due to the size of the apparatus itself, the samples that are produced are extremely small, on the order of few tens of micrometers. There are several ways to analyze the samples and extract physical, chemical or structural information, using either in situ or ex situ methods. In this paper, we compare two nanoprobe techniques, namely nano-XRF and NanoSIMS, that can be used to analyze recovered samples synthetized in a LH-DAC. With these techniques, it is possible to extract the spatial distribution of chemical elements in the samples. We show the results for several standards and discuss the importance of proper calibration for the acquisition of quantifiable results. We used these two nanoprobe techniques to retrieve elemental ratios of dilute species (few tens of ppm) in quenched experimental molten samples relevant for the formation of the iron-rich core of the Earth. We finally discuss the applications of such probes to constrain the partitioning of trace elements between metal and silicate phases, with a focus on moderately siderophile elements, tungsten and molybdenum.},
  language  = {en}
}