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At least 559 records · Page 31

AmeriFlux FLUXNET-1F AR-Bal Balcarce BA

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site AR-Bal Balcarce BA. This is the FLUXNET version of the carbon flux data for the site AR-Bal Balcarce BA produced by applying the standard ONEFlux (1F) software. Site Description - The study was carried out in a 19-ha rainfed soybean plot at the Unidad Integrada Balcarce, located southeast of Buenos Aires, Argentina. The site is located in an environment of gentle hills at 130 m.a.s.l. Its soil was classified as a typical Argiudoll, with a loamy clayey texture up to 0.30 m and between 0.80 to 1.10 m depth, and a clayey texture between 0.30 and 0.80 m depth. The slope was 1:50 and oriented NE to SW. A caliche layer was found at 1 to 1.2 m depth thus the water table was considered beneath that level. The soybean variety used was DM 3810, Maturity Group III with an indeterminate growing habit. It was sown on November 21, 2012, and emerged on December 1. The crop archive had a maximum height of 0.75 m.

Gassmann, Maria Isabel [Universidad de Buenos Aire↗

braggedgemodeling

braggedgemodeling (bem) is an open-source Python package for modeling neutron Bragg-edge imaging. It computes the wavelength-dependent total neutron cross-section of a material (coherent and incoherent elastic, coherent and incoherent inelastic scattering, and absorption) from its crystal structure, and implements the March-Dollase texture model and the Jorgensen peak profile, supporting quantitative analysis of energy-resolved neutron imaging data (phase, stress/strain, and texture). Published in the Journal of Open Source Software (2018).

Lin, Jiao [Oak Ridge National Laboratory (ORNL), O↗

Oxygen isotope evidence for input of magmatic fluids and precipitation of Au-Ag-tellurides in an otherwise ordinary adularia-sericite epithermal system in NE China

Abstract Tellurium-rich (Te) adularia-sericite epithermal Au-Ag deposits are an important current and future source of precious and critical metals. However, the source and evolution of ore-forming fluids in these deposits are masked by traditional bulk analysis of quartz oxygen isotope ratios that homogenize fine-scale textures and growth zones. To advance understanding of the source of Te and precious metals, herein, we use petrographic and cathodoluminescence (CL) images of such textures and growth zones to guide high spatial resolution secondary ion mass spectroscopy (SIMS) oxygen isotope analyses (10 µm spot) and spatially correlated fluid inclusion microthermometric measurements on successive quartz bands in contemporary Te-rich and Te-poor adularia-sericite (-quartz) epithermal Au-Ag vein deposits in northeastern China. The results show that large positive oxygen isotope shifts from –7.1 to +7.7‰ in quartz rims are followed by precipitation of Au-Ag telluride minerals in the Te-rich deposit, whereas small oxygen isotope shifts of only 4‰ (–2.2 to +1.6‰) were detected in quartz associated with Au-Ag minerals in the Te-poor deposits. Moreover, fluid-inclusion homogenization temperatures are higher in comb quartz rims (avg. 266.4 to 277.5 °C) followed by Au-Ag telluride minerals than in previous stages (~250 °C) in the Te-rich deposit. The Te-poor deposit has a consistent temperature (~245 °C) in quartz that pre- and postdates Au-Ag minerals. Together, the coupled increase in oxygen isotope ratios and homogenization temperatures followed by precipitation of Au-Ag tellurides strongly supports that inputs of magmatic fluid containing Au, Ag, and Te into barren meteoric water-dominated flow systems are critical to the formation of Te-rich adularia-sericite epithermal Au-Ag deposits. In contrast, Te-poor adularia-sericite epithermal Au-Ag deposits show little or no oxygen isotope or fluid-inclusion evidence for inputs of magmatic fluid.

Geochemistry & Geophysics↗

Polarization Imaging for International Safeguards (FY2019)

A polarization imaging camera, Salsa (Bossa Nova Technologies) was evaluated for use in nuclear safeguards inspection with a focus on swipe sampling. The camera and supporting electronics and software determine the full Stokes parameters for the entire image field. The camera can be used for real-time video or still images. Stokes parameters S0, S1, S2, and S3 can be recorded for each pixel and exported for post processing. This study compared color photography to polarization imaging for powders on many surfaces under ambient lighting. False color images can be created from the Stokes parameters directly from the vendor software to highlight the various polarization states. In most cases, linear polarization showed the greatest effects. The polarization images are easy to collect and very sensitive to surfaces and textures. Fine powders are highlighted in the images, and particle size and refractive index effects were noticed. The images are not affected by ambient lighting (angle, or intensity). Lens choice is key and may require expert knowledge. Very small deposits of 1 µm particles were difficult to image using the standard video lens. General dirt on smooth surfaces and handprints are easily documented as well as powders on textured painted surfaces. Scratches on metal surfaces can be readily separated from other image features. The camera may be useful for tamper indication as surface damage is easy to discern and ambient lighting is not a concern.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development and Validation of Quantitative Model-Based Image Reconstruction for NDE of Reinforced Steel-Lined Concrete Structures: Kal-El FY 2020

This project studied the capabilities of Model-Based Image Reconstruction (MBIR) and Machine Learning (ML) algorithms in the imaging and estimation of rebar corrosion from ultrasound signals. The application was challenging due to the introduction of a steel liner between the sensor and the concrete containing the rebar. The study focused in a synthetic specimen with a 6.35 mm thick steel liner, and a 19.05 mm diameter rebar at a depth of 44.5 mm and with four levels of corrosion; 0%, 20%, 50%, and 100% corrosion level. The corrosion was applied uniformly around the rebar, generating a ring in the perimeter of the rebar with different acoustic density. In order to generate a realistic synthetic dataset, we added random texture to the concrete of the synthetic specimens. This texture will mimic the variations encountered in real concrete specimens.We adapted our MBIR algorithm for the application and enhanced the algorithm to integrate in the physical model known specimen features, such as the steel liner thickness. The new MBIR method was able to cancel out reverberation from the steel liner and properly image the rebar. In particular, corrosion for the 50% and 100% cases were easily visible and quantitative metrics showed a slight separation for the 0% and 20% levels. The quantitative results were in agreement with the qualitative assessment. We also developed a ML XGBoost model to estimate corrosion level from the ultrasound signals. By combining the ML method with MBIR, we can pinpoint in the ultrasound signals the section that corresponds to the echoes from the rebar. The extract signals are processed by the XGBoost model for prediction. From each system scan, we obtain 15 predictions. The median prediction value is used as the final prediction. The True Acceptance Rate for the method is over 99%.

36 MATERIALS SCIENCE↗

Design for Additive Manufacturing: Exploring Remelt Strategies to Tailor Density and Microstructure

The potential advantages of AM (e.g. weight reduction, novel geometries) are well understood within a systems context. However, adoption of AM at the system level has been slow due to the relative uncertainty in the final material properties, which leaves capabilities and/or performance gains unrealized. Utilizing remelt strategies it may be possible to expand the available process window to provide densities and microstructures beyond what is capable with standard scan strategies. This work explored remelting strategies for 316L stainless steel to tailor grain size and increase density. Twelve scan strategies were explored experimentally and computationally to understand the limitations of remelt strategies and the robustness of the current simulation package. Results show tailoring of grain size, density, and texture is achievable through remelting and several key lessons learned were made to improve the texture evaluation through simulation.

36 MATERIALS SCIENCE↗

Connecting Dynamic Strain Aging to Deformation Processing in Magnesium-Calcium-Based Alloys

Fuel consumption can be improved by reducing car weight with substitution of aluminum and steel parts with magnesium (Mg). Magnesium formability at room temperature is limited due to strong basal texture generated prior processing. Shear band nucleation, observed under conditions in which dynamic strain aging (DSA), have been attributed to be responsible for texture weakening in dilute Mg – Rare Earths (RE) alloys. A low–cost substitution of RE is calcium (Ca) with similar atomic size. It is hypothesized that deformation of Mg – Ca alloys under DSA conditions improves Mg formability. In this study, Mg–Ca and Mg–Ca–Zn alloys were characterized using optical microscopy, XRD, and SEM/EDS. Compression testing was performed between 200 and 300C at different strain rates to observe DSA behavior. This work was performed under DOE Award Number DE-EE0007756.

Manuel, Michele↗

Improving energy yield in photovoltaic modules with photonic structures

When installed outdoors, Si solar cells typically operate 20 – 30 K above ambient conditions. These elevated operating temperatures lead to diminished performance, reducing efficiency by ~0.4%/K for crystalline Si cells and decreasing module lifetime. Since much of the elevated temperature of the modules derives from parasitic absorption of sub-bandgap sunlight by the contacts, encapsulants, or other materials, reflectors that remove the sub-bandgap radiation from the module before it is absorbed promise to reduce the operating temperature. However, there are many competing strategies to reject this light: selective reflectors could be integrated into the outer module glass, at the textured Si-encapsulant interface, or on the rear. Furthermore, many of these approaches are complex and expensive to fabricate. The issue of heating can be even more critical in bifacial modules: high fractions of rear irradiance can lead to higher operating temperatures. Prior to this project, relatively little was known about the optical strategies for temperature reduction in bifacial modules. The goal of this project was to quantitatively assess optical strategies for improving the energy yield via a combination of improved anti-reflection and sub-bandgap light rejection. We studied two complementary concepts: the performance of ideal structures to determine the upper limits to performance, and low-complexity structures made from standard materials as cost-effective implementations. We also studied the performance of these reflectors in different types of modules, including Al BSF, PERC, and bifacial. Here we build from our prior accomplishments in developing mirror optimization techniques, and make use of simulation methods that accurately capture the optical properties of the modules throughout the visible and near-infrared spectrum. We connect these optical properties to energy yield under realistic, outdoor conditions. We also experimentally fabricated mirrors, incorporated them into mini-modules, and performed outdoor testing of performance at NREL. We found definitively that spectrally-selective mirrors on the outside of the module cover glass offer the best performance, both under ideal conditions and for realistic, low- complexity mirrors. Mirrors at the Si cell/encapsulant interface are limited by the multiple reflections needed to remove sub-bandgap light. Mirrors at the cell surface and mirrors on the rear also cannot remove all the sub-bandgap light, since parasitic absorption also occurs in the cover glass, encapsulant, and front contacts, depending on the module configuration. Also, cell texturing places higher demands on any cell-surface mirror because multiple interactions with the mirror are required to reject sub bandgap light which compounds losses. For bifacial modules, mirrors on the back do provide additional cooling and energy yield improvements, and the mirrors can have the same structure. In the monofacial case up to 3.3K of cooling is possible for mirrors on the front, compared to 2.2K at the cell surface and 1.2K at the rear. For bifacial modules, up to 2.4K of cooling is possible when mirrors are included at both the front and back. Our realistic designs utilize 4 – 6 layers of common photovoltaic materials such as SiO 2 , TiO 2 , and SiN x , making them more cost effective. Finally, we used our models to study thermal management in bifacial modules with different back lamination materials, finding that glass-glass laminated modules operated hotter than equivalent glass-polymer backsheet modules, due solely to the increased absorption of light incident from the rear of the module. Improving the energy yield by 2%, which is achievable with these realistic designs, would lead to LCOE reductions of $0.03/kWh by 2030. These benefits make photovoltaic panels more accessible to the public and may reduce associated maintenance costs.

14 SOLAR ENERGY↗

Characterization of Tri-lab β-Tin (Sn)

This report documents details of the microstructure and mechanical properties of -tin (Sn), that is used in the Tri-lab (Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), Sandia National Laboratories (SNL)) collaboration project on Multi-phase Tin Strength. We report microstructural features detailing the crystallographic texture and grain morphology of as-received -tin from electron back scatter diffraction (EBSD). Temperature and strain rate dependent mechanical behavior was investigated by multiple compression tests at temperatures of 200K to 400K and strain rates of 0.0001 /s to 100 /s. Tri-lab tin showed significant temperature and strain rate dependent strength with no significant plastic anisotropy. A sample to sample material variation was observed from duplicate compression tests and texture measurements. Compression data was used to calibrate model parameters for temperature and rate dependent strength models, Johnson-Cook (JC), Zerilli-Armstrong (ZA) and Preston-Tonks-Wallace (PTW) strength models.

36 MATERIALS SCIENCE↗

High-Silicon Steel Strip by Single-Step Shear Deformation Processing

It is well known that Fe-Si alloys with Si content higher than in conventional electrical sheet steels (>3.2% Si) can make a significant impact in improving the efficiency of electrical motors if they are available in sheet/foil (strip) forms at suitable cost. While the magnetic and electrical attributes (e.g., resistivity, core loss) of these high-Si Fe alloys, of relevance to electrical motor core laminations, are known to be exceptional, the alloys have limited workability, making them difficult to produce consistently in sheet/foil (strip) forms. Current processing techniques such as rolling, while adequate for producing conventional electrical steel sheet, do have important disadvantages - large energy consumption and emissions, limitations in processing of low-workability alloys (e.g., high-Si content steels), large-scale plant infrastructure, and less than adequate capability to engineer sheet metals with specific microstructures (e.g., fine-grained) and crystallographic textures (e.g., shear textures). It is therefore of interest to have an alternative commercial process that can produce sheet/foil (strip) from high-Si Fe alloys and which can also overcome some of the deficiencies of current multistage strip processes. The goal of the present project was design and demonstration of a new energy-efficient pilot process for producing high-Si electrical steel strip of commercial widths and thickness, and with superior electrical and magnetic properties than current electrical steels (Fe-3.2% Si as benchmark). The applications domain for these steels is electrical motor core laminations. We have addressed this goal by accomplishment of the following specific objectives and tasks: a) Development of an Fe-4Si-4Cr alloy with electrical resistivity >80 μΩ-cm, induction flux density >1.48 T at 5000 A/m and core loss 35% lower than the benchmark 3.2% Si alloy. The alloy which meets DOE target specifications for motor core attributes was designed with the Si content controlled for the electrical properties and the Cr content tailored to meet material/process workability requirements. b) A unique machining-based deformation processing system was designed and scaled-up to produce strip of commercial width (25 mm to 150 mm) and thickness (up to 0.5 mm) from the Fe-4Si-4Cr alloy and other alloys of varied workability including copper, Al6061-T6 and naval brass. The key attributes of the machining-based strip production are deformation processing by concentrated simple-shear; single-step production of strip from ingot using compact machine infrastructure; strip surface finish of Ra 0.35 to 1 micrometer that is comparable/superior to that of rolled strip; discrete production of strip that can potentially be done at point of use; and controllability of strip mechanical/formability properties by deformation control. c) The electrical, magnetic, surface quality, mechanical, formability, and metallurgical properties/attributes of the machining-based strip were established by direct ASTM standard or equivalent measurement techniques. d) Punching characteristics of the strip in terms of load, edge quality and macro defects were similar to those of conventional 3.2% Si electrical steels. These punching characteristics are critical from a manufacturability perspective for motor/transformer core applications. e) A modeling framework for energy analysis of multistage rolling and the machining-based deformation processing has been established. Application of this modeling to the two strip-processes showed that the machining-based process requires significantly lower specific energy for processing, ~ 25% of that for rolling. The modeling framework can be adapted for a range of sheet-metal forming, bulk metal forming, and machining processes. It can be used to identify key parameters controlling process specific energy. f) A comparative analysis of advantages and disadvantages of machining-based processing against rolling for strip production. The single stage machining-based processing, with compact infrastructure, represents a new manufacturing paradigm for sheet and foil manufacturing that can potentially also be applied to advanced titanium, aluminum, copper and magnesium alloys. The goals and objectives were accomplished by a cross-disciplinary project team comprising of personnel from Purdue University; M4 Sciences LLC, a small-business focused on advanced manufacturing technology development; the Pacific Northwest National Labs; and tool manufacturers. The team is currently in advanced discussions with multiple entities for future process development for commercialization.

36 MATERIALS SCIENCE↗

Ultrafast perturbation of magnetic domains by optical pumping in a ferromagnetic multilayer

Ultrafast optical pumping of systems with spatially nonuniform magnetic textures is known to cause far-from-equilibrium spin transport effects, such as the broadening of domain-walls. Here, we study the dynamics of labyrinth domain networks in ferromagnetic CoFe/Ni multilayers subject to a femtosecond optical pump and find an ultrafast domain dilation by 6% within 1.6 ps. This surprising result is based on the unambiguous determination of a harmonically-related shift of ultrafast magnetic X-ray diffraction for the first- and third-order rings. Domain dilation is plausible from conservation of momentum arguments, whereby inelastic scattering from a hot, quasi-ballistic, radial current transfers momentum to the magnetic domains. Our results suggest a potentially rich variety of unexpected physical phenomena associated with far-from-equilibrium inelastic electron-magnon scattering processes in the presence of spin textures.

36 MATERIALS SCIENCE↗

Microstructure Alignment Effects from Engineered Cooling during Additive Manufacturing of Alnico Magnets from Prealloyed Powder

Alnico is a rare-earth free; permanent magnet (PM) which maintains its saturation magnetization while at temperatures up to 550°C but lacks the coercivity and energy product needed for a wide range of demanding applications. With an optimal set of processing and manufacturing techniques, Alnico could replace Dy-free Nd-Fe-B magnets in certain applications if the microstructure is textured in a $\langle$001$\rangle$ direction. Additive manufacturing (AM) of near-net-shape magnets may provide such texture. To investigate the possibility, directed-energy deposition (DED) in conjunction with an actively cooled substrate was used to build samples with a compositionally modified, gas-atomized, Alnico 8 alloy. The resulting samples were solutionized and quenched, followed by magnetic annealing and a heat treatment. Magnetic properties and microstructures are compared to previous work.

36 MATERIALS SCIENCE↗

Scalable Manufacturing of Efficient Perovskite/Silicon Tandem Modules

Crystalline-Si (c-Si) technology produces excellent solar cells with conversion efficiencies of up to 26.7%—nearly their practical limit of 27%—and has been commercialized extensively to produce panels below $\$0.40$/W. Techno-economic analysis shows that module efficiency will continue to be a primary cost driver because of high balance-ofsystems costs, and there is no path to higher efficiencies with single-junction silicon cells. In this project, three research teams from University of North Carolina, Arizona State University and National Renewable National Laboratory worked together to develop perovskite-silicon tandem cells with a high throughput process which can handle 5000 wafers per hour, enabled by very low added CAPEX of ~$20k for a doctor-blade coater. This can potentially increase the module efficiency to 30% (with grid) with small increase of cost, which will drive down the cost of silicon modules to be at least 16% cheaper than present silicon PERC modules. We also explored the alternative narrow bandgap perovskites as silicon replacement for all perovskite tandem cells. This project has substantially advanced the progress of solution-process perovskitessilicon tandem solar cells and perovskite-perovskite tandem solar cells with many inventions and discoveries, evidenced by 18 publications and 6 invention disclosures. Several notable examples include 1) we developed the new idea of small pyramid in combination with solution grown perovskites and demonstrated record-efficiency of 28.5% for 1 cm2 on textured silicon bottom cells and 25.2% for 24 cm2 on chemically etched silicon bottom cells for perovskite-silicon tandem cells. 2) We developed perovskite ink that can coat perovskites onto texture silicon without voids;, and new device structure to enhance the yield of fabrication by reducing shunting 3) We identified the origin of open circuit voltage on mixed halide wide bandgap perovskites, and came with a solution for this problem, reducing the voltage loss to a record small value, which can potentially push the perovskite-silicon tandem cell efficiency to over 31%; 4) We have developed efficient alternative low bandgap semiconductors, i.e. gradient-doped Sn based perovskites by Ba ions, new oxide hole transport layers which increase the efficiency of perovskite/perovskite tandem cells reached record efficiency of 26.3%; 5) We developed bifacial perovskite/perovskite tandem cells by overcoming contacts issues and regaining light absorption, further boosting the equivalent efficiency to 29.3% under 1 sun illumination with 30% albedo light; 6) We developed the first all perovskite tandem module fabricated in air by discovery a combination of oxidization and reduction couples, yield an aperture efficiency of 21.6% for all perovskite mininodules, exceeding that of single junction perovskite minimodules. These discoveries not only accelerate the commercialization of perovskite-silicon tandem solar cells, but also provide guidance in designing other type of perovskite solar cell technologies.

14 SOLAR ENERGY↗

New dynamic diamond anvil cell for time-resolved radial x-ray diffraction

The dynamic diamond anvil cell (dDAC) is a recently developed experimental platform that has shown promise for studying the behavior of materials at strain rates ranging from intermediate to quasi-static and shock compression regimes. Combining dDAC with time-resolved x-ray diffraction (XRD) in the radial geometry (i.e., with incident x-rays perpendicular to the axis of compression) enables the study of material properties such as strength, texture evolution, and deformation mechanisms. This work describes a radial XRD dDAC setup at beamline P02.2 (Extreme Conditions Beamline) at DESY’s PETRA III synchrotron. Time-resolved radial XRD data are collected for titanium, zirconium, and zircon samples, demonstrating the ability to study the strength and texture of materials at compression rates above 300 GPa/s. In addition, the simultaneous optical imaging of the DAC sample chamber is demonstrated. The ability to conduct simultaneous radial XRD and optical imaging provides the opportunity to characterize plastic strain and deviatoric strain rates in the DAC at intermediate rates, exploring the strength and deformation mechanisms of materials in this regime.

47 OTHER INSTRUMENTATION↗

Location-Specific Microstructures and Properties of Haynes 282 Alloy with Laser-Wire DED Processing

In this work, the location-specific microstructures in terms of grain morphology, texture, γ′ precipitates, carbides, and residual strains were investigated in a series of laser-wire direct energy deposition (LW-DED) Haynes 282 alloys with varied processing parameters. A bimodal grain distribution was found in these as-printed and heat-treated alloys with columnar grains within the layers and fine equiaxed grains at the interlayer regions. Dominant <001> texture along the build direction with more obvious <111> orientation preference exists at the bottom layers, compared to the top layers. The gradient γ′-precipitates size distribution contributes predominantly to the observed gradient hardness distribution in the as-printed samples. The heat-treated 282 exhibit comparable yield strengths to those conventionally-processed counterparts, while the observed small deviation in their yield strengths is attributed to the Hall-Petch effect. This work establishes the correlation between location-specific microstructures and mechanical properties, providing valuable insights into future printing parameters and heat-treatment optimization.

Haynes 282↗

Implementation of disruptive designs for gas turbine components using direct energy deposition additive manufacturing

This research aims to develop a framework for establishing the correlation between in-situ monitoring data, process parameters, and microstructure evolution in blown-powder laser-directed energy deposition (DED) additive manufacturing (AM). To achieve this, a comprehensive manufacturing framework has been developed, spanning from in-situ data acquisition, melt-pool simulation, microstructure modeling, and statistical microstructure quantification. A machine learning-based surrogate model is constructed to predict melt pool geometry directly from in-situ coaxial camera data. The surrogate model is trained using outputs from a high-fidelity melt pool simulation, which provides accurate melt pool dimension data under varying process conditions. The predicted melt pool geometry is then used as input to a microstructure model to predict microstructural features. To rigorously compare and analyze microstructures, the project introduces statistical metrics that quantify differences based on key features such as morphology and texture. Microstructures are represented using advanced statistical descriptors including angular chord length distribution, two-point spatial statistics, orientation distribution function, and global spherical harmonic. These representations are used to compute four distinct “dissimilarity scores” that quantitatively capture differences in texture and morphology. This framework is demonstrated to enable automated calibration of simulation parameters by minimizing discrepancies between simulated and target microstructures. The technology developed in this project enables direct correlation between in-situ monitoring data and resulting microstructure, paving the way for adaptive microstructure control in metal AM. This capability strengthens the connection between process parameters and final material properties, facilitating more precise and reliable material design.

36 MATERIALS SCIENCE↗

Deformation of Polycrystalline MgO Up to 8.3 GPa and 1270 K: Microstructures, Dominant Slip-Systems, and Transition to Grain Boundary Sliding

Ferropericlase is the second most abundant mineral in the Earth’s lower mantle and its mechanical properties have a strong influence on the rheology of this region. Here, we deform polycrystalline MgO, the magnesium end-member of ferropericlase, at conditions ranging from 1.6 to 8.3 GPa and 875–1,270 K. We analyse the flow laws and microstructures of the recovered samples using electron microscopy and compare our observations with predictions from the literature. We identify a first mechanism for samples deformed at 1,270 K, attributed to a regime controlled by grain boundary sliding accommodated by diffusion, and characterized by a small grain size, an absence of texture, and no intracrystalline deformation. At 1,070 K and below, the deformation regime is controlled by dislocations. The samples show a more homogeneous grain size distribution, significant texture, and intracrystalline strains. In this regime, deformation is controlled by the ⟨110⟩{110} slip system and a combined ⟨110⟩{110} and ⟨110⟩{100} slip, depending on pressure and temperature. Based on these results, we propose an updated deformation map for polycrystalline MgO at mantle conditions. The implications for ferropericlase and seismic observations in the Earth’s lower mantle are discussed.

Ledoux, Estelle Elisa↗

Pore-Scale Modeling of Mineral Growth and Nucleation in Reactive Flow

A fundamental understanding of mineral precipitation kinetics relies largely on microscopic observations of the dynamics of mineral surfaces exposed to supersaturated solutions. Deconvolution of tightly bound transport, surface reaction, and crystal nucleation phenomena still remains one of the main challenges. Particularly, the influence of these processes on texture and morphology of mineral precipitate remains unclear. This study presents a coupling of pore-scale reactive transport modeling with the Arbitrary Lagrangian-Eulerian approach for tracking evolution of explicit solid interface during mineral precipitation. It incorporates a heterogeneous nucleation mechanism according to Classical Nucleation Theory which can be turned “on” or “off.” This approach allows us to demonstrate the role of nucleation on precipitate texture with a focus at micrometer scale. In this work precipitate formation is modeled on a 10 micrometer radius particle in reactive flow. The evolution of explicit interface accounts for the surface curvature which is crucial at this scale in the regime of emerging instabilities. The results illustrate how the surface reaction and reactive fluid flow affect the shape of precipitate on a solid particle. It is shown that nucleation promotes the formation of irregularly shaped precipitate and diminishes the effect of the flow on the asymmetry of precipitation around the particle. The observed differences in precipitate structure are expected to be an important benchmark for reaction-driven precipitation in natural environments.

58 GEOSCIENCES↗