Matthew Newville

Matthew Newville
University of Chicago | UC · Center for Advanced Radiation Sources

PhD

About

365
Publications
61,159
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39,651
Citations
Introduction
beamline scientist for X-ray absorption and fluorescence spectroscopies at GSECARS, Center for Advanced Radiation Sources at the APS, Argonne National Lab.
Additional affiliations
June 1997 - present
University of Chicago
Position
  • Senior Research Associate / Beamline Scientist
January 1990 - June 1996
Education
January 1990 - March 1995

Publications

Publications (365)
Article
Full-text available
GeoSoilEnviroCARS (GSECARS) is a comprehensive analytical laboratory for Earth and environmental science research using X-ray beams from the Advanced Photon Source, Argonne National Laboratory. State-of-the-art instruments are available for (1) high-pressure/high- or low-temperature diffraction, total scattering, and spectroscopy (Brillouin, Raman,...
Article
Full-text available
Mineral carbonation of alkaline mine residues is a carbon dioxide removal (CDR) strategy that can be employed by the mining industry. Here, we describe the mineralogy and reactivity of processed kimberlites and kimberlite ore from Venetia (South Africa) and Gahcho Kué (Canada) diamond mines, which are smectite-rich (2.3–44.1 wt.%). Whereas, serpent...
Article
Anisotropic absorption in crystals is routinely observed in many spectroscopic methods and is recognized in visible light optics as pleochroism in crystalline materials. As with other spectroscopies, anisotropy in Fe K-edge X‑ray absorption spectroscopy (XAS) can serve both as an indicator of the general structural arrangement and as a conundrum in...
Conference Paper
Full-text available
Details a burial experiment examining the dissolution of forsterite and fayalite olivine surfaces within ultramafic soils. Forsterite dissolution correlates well with environmental conditions.
Article
Ti-in-zircon thermometry zircon diffusion diffusion anisotropy Ti-in-zircon thermometry has become a widely used tool to determine zircon crystallization temperatures, in part due to reports of extremely sluggish Ti diffusion perpendicular to the crystallographic c-axis in this mineral. We have conducted Ti-in-zircon diffusion experiments, focusing...
Preprint
Full-text available
The redox state of silicate melts influences crystallization, element partitioning, and degassing behavior. Synchrotron-based micro-X-ray absorption near edge structure (μXANES) spectroscopy has emerged as a powerful tool for determining redox conditions through the direct measurement of speciation of multivalent elements such as iron and sulfur in...
Article
Full-text available
The redox state of silicate melts influences crystallization, element partitioning, and degassing behavior. Synchrotron-based micro-X-ray absorption near edge structure (μXANES) spectroscopy has emerged as a powerful tool for determining redox conditions through the direct measurement of speciation of multivalent elements such as iron and sulfur in...
Article
We have performed a coordinated focused ion beam (FIB)-scanning and transmission electron microscopy (SEM, TEM), electron probe microanalysis (EMPA)-synchrotron X-ray fluorescence (SXRF) microprobe study to determine phase-specific microstructural characteristics and high-resolution in situ trace element concentrations of primary pyrrhotite, pentla...
Preprint
Full-text available
We have performed a coordinated focused ion beam (FIB)-scanning and transmission electron microscopy (S/TEM), electron probe microanalysis (EMPA)-synchrotron X-ray fluorescence (SXRF) microprobe study to determine phase-specific microstructural characteristics and high-resolution in situ trace element concentrations of primary pyrrhotite, pentlandi...
Article
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A Synchrotron-based Machine learning Approach for RasTer (SMART) mineral mapping was developed for the purpose of training a mineral classifier for characterization of millimeter-sized areas of rock thin sections with micron-scale resolution. An Artificial Neural Network (ANN) was used to extract relationships between coupled micro x-ray fluorescen...
Article
Full-text available
Graphite capsules are commonly used in high-temperature, high-pressure experiments, particularly for nominally anhydrous experiments and iron-bearing silicate samples. Due to the presence of graphite in the sample assembly, the oxygen fugacity for these experiments is thought to be relatively low, typically at or below the graphite-CO-CO2 buffer (C...
Article
X‐ray absorption fine structure (XAFS) spectroscopy methods have been applied to focused ion beam (FIB) produced sections of olivine and pyroxene for determining the valence states of Ti, V, and Cr and inferring oxygen fugacities of formation for each element. High‐quality XAFS spectra were obtained for all three elements for analytical voxels of ~...
Article
Full-text available
This paper reports the first structure refinement of natural wangdaodeite, LiNbO₃-type FeTiO₃ from the Ries impact structure. Wangdaodeite occurs together with recrystallized ilmenite clasts in shock melt veins which have experienced peak shock pressures of between 17 and 22 GPa. Comparison of natural and synthetic wangdaodeite points toward a corr...
Article
Full-text available
Exchange between a magma ocean and vapor produced Earth's earliest atmosphere. Its speciation depends on the oxygen fugacity (fO 2) set by the Fe 3+ /Fe 2+ ratio of the magma ocean at its surface. Here, we establish the relationship between fO 2 and Fe 3+ /Fe 2+ in quenched liquids of silicate Earth-like composition at 2173 K and 1 bar. Mantle-deri...
Article
The novel physics, such as the pressure-induced electronic topological transition (ETT), topological superconductivity and Majorana fermions in the isostructural R−3m phase of three-dimensional topological insulator Bi2Te3, holds considerable interest in condensed-matter physics. We carried out a combined investigation of single-crystal x-ray diffr...
Article
Full-text available
The electronic state of layered three-dimensional topological insulators at high pressure is a compelling but a puzzling hot topic. The open question is the structural origins for the pressure-induced novel physics of electronic topological transition (ETT), topological superconductivity, and Majorana fermions in the same isostructural R−3m phase....
Article
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Polyamorphism of network‐forming SiO2 and GeO2 glasses at high pressure is a puzzling topic in condensed matter physics, and has long‐standing interest because of their important geophysical and geochemical implications. Molecular dynamics simulations suggest that there are multiple amorphous‐amorphous transitions at high pressure with parallel to...
Article
Snow algae growth and mineral dust deposition are both known to strongly decrease snow albedo. Previous work has shown snow algae growth is enhanced in the presence of trace nutrient-containing minerals. Increased dust deposition with aridification due to climate change may therefore additionally enhance snow algae growth. Here we performed batch g...
Article
Investigations of the crystallization of aluminosilicate phases within Hanford nuclear waste glasses typically involve subjecting samples to the canister centerline cooling (CCC) schedule. This cooling schedule is representative of the slowest cooling thermal profile which these glasses will experience after the glass is poured into the high level...
Article
Full-text available
SciPy is an open-source scientific computing library for the Python programming language. Since its initial release in 2001, SciPy has become a de facto standard for leveraging scientific algorithms in Python, with over 600 unique code contributors, thousands of dependent packages, over 100,000 dependent repositories and millions of downloads per y...
Article
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This paper describes riesite, a new high-pressure polymorph of TiO2 from the Ries impact structure, Germany. Riesite occurs in shock-induced melt veins within xenoliths of bedrock in suevite. It is structurally closely related to srilankite from which it differs by having two distinct cation sites rather than one and through its monoclinic symmetry...
Article
X-ray absorption fine structure (XAFS) spectroscopy has proven to be a valuable tool in defining valence states of multivalent elements in minerals and glasses that can then be used as oxybarometry proxies. First row transition multivalent elements Ti, V, Cr, and Fe are common targets. Micro-XAFS provides wide coverage of oxygen fugacity on all min...
Article
X-ray absorption near-edge structure (XANES) spectroscopy is a powerful technique to quantitatively investigate sulfur speciation in geologically complex materials such as minerals, glasses, soils, organic compounds, industrial slags, and extraterrestrial materials. This technique allows non-destructive investigation of the coordination chemistry a...
Article
Geochemical signatures preserved in sedimentary carbonate strata are often used as archives for paleoenvironmental reconstructions. However, diagenetic overprinting and/or muting of primary geochemical signatures complicates the interpretation of these data. To avoid this issue, geochemical techniques strive to target unaltered (or minimally altere...
Article
Micro-analytical determination of copper (Cu) speciation in natural magmatic glasses, equilibrated below the nickel – nickel oxide (NNO) buffer, reveals that two copper species are commonly stabilized in such basaltic melts. X-ray absorption fine structure (XAFS) spectroscopic analysis of basaltic matrix glasses and melt inclusions (MI) from sample...
Article
Selective Ion Accumulation in Biomineralizing Marine Acantharia - Volume 25 Supplement - Vivian Merk, Johan Decelle, Si Chen, Antonio Lanzirotti, Matthew Newville, Olga Antipova, Derk Joester
Article
Geological reconstructions of global ocean chemistry and atmospheric oxygen concentrations over Earth history commonly rely on the abundance and stable isotopic composition (δ34S) of sulfur-bearing compounds. Carbonate-associated sulfate (CAS), sulfate bound within a calcium carbonate mineral matrix, is among the most commonly interrogated sulfur m...
Article
Marine carbonate rocks are composed, in varying abundance, of cement, micrite, abiotic grains and fossils, which can provide information about the physical and chemical environments in which they formed. Geochemical analyses of these carbonates are not always interpreted alongside the wealth of geologic (including petrographic) information availabl...
Article
Iron is among the most abundant elements in Earth's crust and is also a major aqueous solute in a variety of hydrothermal settings, yet major questions remain regarding the solubility and speciation of iron at hydrothermal conditions. Here, we conducted hydrothermal diamond-anvil cell experiments using synchrotron-radiation micro-XRF and XANES anal...
Article
This paper presents a new X-ray absorption spectroscopy (XAS) method for making two-dimensional maps of Fe ³⁺ in-situ in polished glass samples, which opens the door to study redox changes associated with magmatic processes such as crystallization, assimilation, ascent, and eruption. Multivariate analysis (MVA) allows selection of specific channels...
Article
Because magmatic oxygen fugacity (fO2) exerts a primary control on the discrete vanadium (V) valence states that will exist in quenched melts, V valence proxies for fO2, measured using X-ray absorption near-edge spectroscopy (XANES), can provide highly sensitive measurements of the redox conditions in basaltic melts. However, published calibrations...
Article
Full-text available
In order to study chemical complexity-induced lattice distortion in high-entropy alloys, the static Debye–Waller (D-W) factor of NiCoFeMnCr solid solution alloy is measured with low temperature neutron diffraction, ambient X-ray diffraction, and total scattering methods. The static atomic displacement parameter of the multi-element component alloy...
Article
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Round robin studies have been used across fields of science for quality control testing and to investigate laboratory dependencies and cross-platform inconsistencies as well as to drive forward the improvement of understanding of experimental systems, systematic effects and theoretical limitations. Here, following the Q2XAFS Workshop and Satellite...
Article
Data for the solubility of CuS (reacting to Cu2S), Cu, and bornite + chalcopyrite + pyrite (reacting to Cu-Fe-S solid solution) in H2O + NaCl fluids were determined in situ using synchrotron-radiation X-ray fluorescence (SR-XRF) spectroscopy. The aqueous Cu concentrations ranged between 25 ppm at 500 °C, 320 MPa, 0.5 m NaCl and 760 ppm at 500 °C, 3...
Article
Oxygen fugacity (fo2) exerts first-order control on the geochemical evolution of planetary interiors, and the Fe³⁺/ΣFe ratios of silicate glasses provide a useful proxy for fO2. Fe K-edge micro-X-ray absorption near-edge structure (XANES) spectroscopy allows researchers to micro-analytically determine the Fe³⁺/ΣFe ratios of silicate glasses with hi...
Article
Water-rich regions in Earth’s deeper mantle are suspected to play a key role in the global water budget and the mobility of heat-generating elements. We show that ice-VII occurs as inclusions in natural diamond and serves as an indicator for such water-rich regions. Ice-VII, the residue of aqueous fluid present during growth of diamond, crystallize...
Article
This study describes microscale sulfur (S), vanadium (V), and iron (Fe) K-edge X-ray absorption near edge structure (µ-XANES) spectroscopy measurements on olivine-hosted melt inclusions (MI) preserved in tephras (1986 and 2006) and lavas (1938 and 1948) erupted from Nyamuragira volcano (D.R. Congo, Africa). The S, V, and Fe spectroscopic data are u...
Article
X-ray microprobes (XRM) coupled with high brightness synchrotron x-ray facilities are powerful tools for environmental biogeochemistry research. One such instrument, the XRM at the GSECARS Sector (13) at the Advanced Photon Source (APS, Argonne National Laboratory, IL USA) was recently improved as part of a canted undulator geometry upgrade of the...
Article
A theory program intended for use with extended X-ray-absorption fine structure (EXAFS) spectroscopy and based on the popular FEFF8 is presented. It provides an application programming interface designed to make it easy to integrate high-quality theory into EXAFS analysis software. This new code is then used to examine the impact of self-consistent...
Article
Bio-mediated processes for arsenic (As) uptake in calcite were investigated by means of X-ray Diffraction (XRD) and X-ray Absorption Spectroscopy (XAS) coupled with X-ray Fluorescence measurements. The environmental bacterial strain Bacillus licheniformis BD5, sampled at the Bullicame Hot Springs (Viterbo, Central Italy), was used to synthesize cal...
Chapter
Owing to its element specific and short-range nature, core-level X-ray absorption spectroscopy (XAS) is now widely used to elucidate the local structural, vibrational, and other physical properties of complex, aperiodic materials. In this Chapter we review the current theory of XAS including both extended (EXAFS) and near-edge (XANES) properties to...
Article
The diffusion and substitution mechanisms of Cr in forsterite were studied as a function of crystallographic orientation and the chemical potentials of all four components in the system MgO-SiO2-Cr-O. Oxygen fugacity (fO2) was varied over 15.4 log units at 1400 °C and was fixed at the iron-wüstite equilibrium for a temperature series (1200–1500 °C)...
Article
Adsorption and redox transformations on clay mineral surfaces are prevalent in surface environments. We examined the redox reactivity of iron Fe(II)/Fe(III) associated with natural and synthetic ferric nontronites. Specifically, we assessed how Fe(II) residing in the octahedral sheets, or Fe(II) adsorbed at the edge sites alters redox activity of n...
Article
Chromium valence ratios in igneous olivine may hold a wealth of redox information about the melts from which they crystallized. It has been experimentally shown that the Cr²⁺/ΣCr of olivine varies systematically with fo2 therefore measurements of Cr valence in olivine could be employed as a quantitative oxybarometer. In situ synchrotron μ-XANES ana...
Article
Full-text available
Unprecedented bright and intense synchrotron X-rays have been widely used to unravel numerous compelling electronic and structural properties using a large variety of physical techniques, while the puzzling phenomenon is the uncertainties of measurements due to X-ray induced considerable electronic and structural changes of a matter under study. He...
Article
There is abundant petrologic evidence for the oxidation of Fe during the aqueous alteration of chondrites, and water must have been the oxidant for this process. The H2 lost from the chondrite parent bodies as a result of Fe oxidation would have been isotopically very light, enriching any residual water in D. The extents of the D enrichments will h...
Article
Full-text available
Meteorites represent the only samples available for study on Earth of a number of planetary bodies. The minerals within meteorites therefore hold the key to addressing numerous questions about our solar system. Of particular interest is the Ca-phosphate mineral merrillite, the anhydrous end-member of the merrillite–whitlockite solid solution series...
Data
Supplementary Figures, Supplementary Tables, Supplementary Notes and Supplementary References
Data
PowderCell 2.2 receipts of the x-ray data refinements used in the study
Data
Molecular Dynamics Simulation of Cu-nanopowder under shock wave loading at 27 GPa
Article
Full-text available
Purpose: Extracellular deposits containing hydroxyapatite, lipids, proteins, and trace metals that form between the basal lamina of the RPE and the inner collagenous layer of Bruch's membrane are hallmarks of early AMD. We examined whether cultured RPE cells could produce extracellular deposits containing all of these molecular components. Method...
Article
Micro-X-ray absorption near-edge structure (m-XANES) spectroscopy has been used by several recent studies to determine the oxidation state and coordination of iron in silicate glasses. Here, we present new results from Fe m-XANES analyses on a set of 19 Fe-bearing felsic glasses and 9 basaltic glasses with known, independently determined, iron oxid...
Article
A flow-through cell experiment was conducted to evaluate Zn isotope fractionation during ZnS precipitation under microbially-mediated sulfate-reducing conditions. Synthetic groundwater containing 0.90 mM Zn was pumped through a cell containing creek sediment that was biostimulated to promote sulfate reducing conditions. Real-time, in situ X-ray abs...
Article
Heating a mixture of uranyl(vi) nitrate and tantalum(v) oxide in the molar ratio of 2 : 3 to 1400 °C resulted in the formation of a new compound, UTa3O10. The honey colored to yellow brown crystals of UTa3O10 crystallize in an orthorhombic structure with the space group Fddd (no. 70), lattice parameters a = 7.3947(1), b = 12.7599(2), c = 15.8156(2)...
Article
Full-text available
Several studies have examined the effect of submergence on the mobility of metals present in mine waste materials. This study examines the effect of organic carbon (OC) and sulfur (S) additions, and submergence time, on redox-induced biogeochemical transformations of lead (Pb), zinc (Zn), and cadmium (Cd) present in mine waste materials collected f...
Article
Full-text available
We describe the use of synchrotron-based X-ray fluorescence spectroscopy to examine the microstructural location of specific elements, primarily salts, in sea ice. This work was part of an investigation of the location of bromine in the sea ice-snowpack-blowing snow system, where it plays a part in the heterogeneous chemistry that contributes to tr...
Article
Many igneous rocks contain mineral assemblages that are not appropriate for application of common mineral equilibria or oxybarometers to estimate oxygen fugacity. Spinel-structured oxides, common minerals in many igneous rocks, typically contain sufficient V for XANES measurements, allowing use of the correlation between oxygen fugacity and V K pre...
Article
Use of crystalline garnet as a waste form phase appears to be advantageous for accommodating actinides from nuclear waste. Previous studies show that large amounts of uranium (U) and its analogues such as cerium (Ce) and thorium (Th) can be incorporated into the garnet structure. In this study, we synthesized U loaded garnet phases, Ca3UxZr2-xFe3O1...
Article
Andesitic glasses equilibrated at 1350 °C over a range of oxygen fugacities (log fO2 from − 8.63 to − 0.68) were examined with Fe K-edge X-ray absorption near-edge structure (XANES) and Mössbauer spectra. XANES spectral features were then calibrated as a function of Mössbauer-derived Fe3+/∑Fe ratios. Additionally, both methods help characterize the...