Formation of secondary mineral coatings and the persistence of reduced metal-bearing phases in soils developing on historic coal mine spoil
Abstract not provided
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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Results for “METAL PARTICLE”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Effect of Particle Spreading Dynamics on Powder Bed Quality in Metal Additive Manufacturing
Powder spreading precedes creation of every new layer in powder bed additive manufacturing (AM). The powder spreading process can lead to powder layer defects such as porosity, poor surface roughness and particle segregation. Therefore, the creation of homogeneous layers is the first task for optimal part printing. Discrete element methods (DEM) powder spreading simulations are typically limited to a single layer and/or small number of particles. Therefore, results from such model configurations may not be generalized to multiple layer processes. In this study, a computationally efficient multi-layer powder spreading DEM simulation model is proposed. The model is calibrated experimentally using static Angle of Repose measurements. The adhesion model parameter, cohesive energy density is related to adhesive surface energy and strain energy release rate parameters. The model results show that interaction between particle and the powder spreading rake leads to noticeable variation in packing density, surface roughness, dynamic angle of repose (AOR), particle size distribution, and particle segregation. Finally, the powder model is experimentally validated using a recoater spreading rig to measure the dynamic AOR at spreading speeds consistent with recoating speeds and layer heights used in AM processes.
36 MATERIALS SCIENCE↗
Mechanisms and heterogeneity of in situ mineral processing by the marine nitrogen fixer Trichodesmium revealed by single-colony metaproteomics
The keystone marine nitrogen fixer Trichodesmium thrives in high-dust environments. While laboratory investigations have observed that Trichodesmium colonies can access the essential nutrient iron from dust particles, less clear are the biochemical strategies underlying particle–colony interactions in nature. Here we demonstrate that Trichodesmium colonies engage with mineral particles in the wild with distinct molecular responses. We encountered particle-laden Trichodesmium colonies at a sampling location in the Southern Caribbean Sea; microscopy and synchrotron-based imaging then demonstrated heterogeneous associations with iron oxide and iron-silicate minerals. Metaproteomic analysis of individual colonies by a new low-biomass approach revealed responses in biogeochemically relevant proteins including photosynthesis proteins and metalloproteins containing iron, nickel, copper, and zinc. The iron-storage protein ferritin was particularly enriched implying accumulation of mineral-derived iron, and multiple iron acquisition pathways including Fe(II), Fe(III), and Fe-siderophore transporters were engaged. While the particles provided key trace metals such as iron and nickel, there was also evidence that Trichodesmium was altering its strategy to confront increased superoxide production and metal exposure. Chemotaxis regulators also responded to mineral presence suggesting involvement in particle entrainment. These molecular responses are fundamental to Trichodesmium’s ecological success and global biogeochemical impact, and may contribute to the leaching of particulate trace metals with implications for global iron and carbon cycling.
Held, Noelle A.↗
Role of the metal-support interface in the hydrodeoxygenation reaction of phenol
In this paper, the effect of interfacial sites between Pd particles and Nb 2 O 5 species is investigated by testing a series of Pd-Nb 2 O 5 /SiO 2 catalysts with different niobium loadings for the HDO reaction of phenol in the gas phase. Important differences in the selectivity to deoxygenated product were observed depending on the presence of niobium oxide close to Pd particles, which reveals the key role of the type of active phase in the control of reaction steps. It was found that Pd/SiO 2 catalyst promotes hydrogenation pathways, producing cyclohexanone as the major product. For Pd-Nb 2 O 5 /SiO 2 catalyst containing a Nb/Pd molar ratio of 0.5, a sharp increase in the selectivity to benzene is observed (7.5-fold). Increasing the Nb/Pd molar ratio, the formation of benzene is enhanced. The results showed that the Pd-Nb 2 O 5 interface, composed by an oxophilic oxide in the perimeter of the metal particle, is responsible for the activation of the Csingle bondO bond, promoting the deoxygenation reaction.
09 BIOMASS FUELS↗
LaMer's 1950 model of particle formation: a review and critical analysis of its classical nucleation and fluctuation theory basis, of competing models and mechanisms for phase-changes and particle formation, and then of its application to silver halide, semiconductor, metal, and metal-oxide nanoparticles
Are classical nucleation theory and the 1950 LaMer model of particle formation supported for a wide range of particle formations, or do competing models in the form of chemical reaction mechanisms have better experimental support? Read on to find out.
Whitehead, Christopher B.↗
Galvanic Transformation Dynamics in Heterostructured Nanoparticles
Corrosion is a significant problem for the stability of structural metals and potentially for functional nanomaterials in operating environments. When two metals with different electrochemical potentials form a junction, galvanic corrosion occurs, resulting in the sacrificial dissolution of the metal with a higher oxidation potential (lower electrode potential). In this report it is shown that bimetallic hetero-nanostructures composed of phase-segregated metals undergo galvanic corrosion in aqueous environments. Such selective etching of the sacrificial metal in heterojunction particles leads to the formation of unusual and kinetically stabilized half-spheroid particles. By using a fluid cell and in situ scanning transmission electron microscopy, a two-stage corrosion process can be observed where the Cu experiences a fractal breakdown before the Ag corrodes due to the lack of a protective oxide layer. However, when treated with a mild Ar plasma, the stability of these structures against corrosion is enhanced due to the conversion of the amorphous native oxide to a denser, thin layer of CuO on the Cu surface. Taken together, this work highlights the importance of considering the effects of galvanic corrosion on the stability of multicomponent nanoparticles, and it shows how mass transport in a nanoscale system is influenced by redox processes.
36 MATERIALS SCIENCE↗
Zigzag flow reactor for weekly thermochemical energy storage
This paper describes theoretical models and experimental performance of a novel Zigzag Flow Reactor (ZFR) for weekly thermochemical energy storage. The ZFR reduces redox-active metal oxide (MO x ) particles at high temperature (up to ~1100 °C) under inert gas sweep. A physical model demonstrates the approach to process equilibrium by minimizing the associated exergy destruction in a finite number of reaction steps, establishing the thermodynamic requirements for a practical reactor. The model results show several cost-relevant parameter tradeoffs, and the tradeoff analysis implies a cost-optimized set of boundary conditions. Numerical models and prototypes show that the ZFR enables significant gas phase homogenization while simultaneously enabling a customizable MO x residence time in the reactor, both key requirements for approaching an equilibrium process. A scaling model demonstrates the simplicity and affordability of sizing the ZFR to grid-scale levels, with fabrication costs at least five times lower than previously proposed scalable reactor concepts. As a result, a laboratory ZFR prototype achieved an energy storage density of ~90 Wh/kg with CaAl 0.2 Mn 0.8 O 3-δ as the MO x , at temperatures of ~850 °C in >10 h of total runtime.
Thermochemical energy storage↗
Mechanistic origin of solvent-dependent thermal stability in sodiated Sn anodes for sodium-ion batteries
Understanding the thermal stability of high-energy density alloy anodes is critical for the safe deployment of sodium-ion batteries (SIBs). Here, accelerating rate calorimetry (ARC), post-mortem characterizations, and density functional theory (DFT) calculations are combined to understand the thermal reactivity of fully sodiated Sn, Sn-hard carbon (HC) blends, and HC anodes in carbonate- and ether-based electrolytes. ARC measurements show that propylene carbonate (PC) causes earlier self-heating rate (SHR) onset and higher reactivity than tetraethylene glycol dimethyl ether (TEGDME), indicating inferior thermal stability. Sodiated Sn exhibits better thermal stability than sodiated HC, while Sn-HC blends show intermediate behavior that improves with increasing Sn content. Post-ARC analyses reveal desodiation of Na15Sn4 to metallic Sn with particle coalescence, whereas Sn-HC blends and HC retain finer morphologies. PC promotes Sn oxidation to SnO, while TEGDME suppresses oxide formation; NaPF6-containing electrolytes additionally form NaF. DFT calculations show that PC adsorption lowers Na extraction energy and enhances interfacial electronic interactions, facilitating Na release and reductive decomposition. These results establish a direct correlation between solvent-dependent reaction pathways and thermal stability in SIB alloy anodes.
Accelerating rate calorimetry↗
Structure of the Bastnäsite (001) Surface by Crystal Truncation Rod X-ray Diffraction and Ab Initio Molecular Dynamics: Implications for Separations of a Rare Earth Ore Mineral
Bastnäsite ((Ce,La)FCO 3 ) is the primary mineral source of light rare earth elements, but its surface structure is not well understood. This presents a major challenge in improving beneficiation strategies. In this work, a synergistic combination of X-ray scattering and ab initio molecular dynamics (AIMD) was used to gain atomistic insight into the interfacial structure of bastnäsite. Surface X-ray scattering was used to measure crystal truncation rods (CTRs) of the bastnäsite (001) surface, a significant crystal face with a previously unknown termination. The best-fit atomic-scale model of the CTR data features a carbonate layer at the surface, which is stabilized by the relaxation of carbonate groups from their bulk structural positions. AIMD simulations predict similar surface relaxations, which are shown to be influenced by the protonation of oxygen atoms at the surface. Evidence of ordered water at the interface is also observed in the best-fit model and AIMD simulations. Further, the presence of a carbonate layer at this dominant crystal surface is significant for improving separation technologies because most commonly used ligands utilize anionic functional groups to chelate metal cations at particle surfaces. Without modification, anionic ligands are expected to have poor affinity for the carbonate-terminated (001) surface.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Electrolyte Vapor Induced Passivation and Transition Metal Redox on Electrode Active Materials
The gaseous environment that battery electrodes are exposed to is critical to their electrochemical performance, and yet, the impact of vapor-phase components in the glovebox is relatively unexplored. In this study, we examine how the surface of Li 4 Ti 5 O 12 and LiFePO 4 composite electrodes evolve upon exposure to 1 M LiPF 6 in ethylene carbonate:dimethyl carbonate electrolyte vapors in an argon-filled glovebox. Spatially resolved X-ray photoemission electron microscopy and X-ray photoelectron spectroscopy reveal that even brief (15 minutes) contact with electrolyte vapor initiates the formation of a LiF film and changes the oxidation state of transition metals at the particle surface. Notably, these modifications occur selectively on active material particles and not on binder or conductive carbon, underscoring the specificity of vapor-induced reactions. Prolonged exposure to electrolyte vapor over the course of 1 week yields thicker, more chemically complex interphases containing both LiF and lithium oxyfluorophosphate species (Li x PO y F z ). Subsequent electrochemical testing shows that vapor-induced passivation layers influence first cycle capacities, lithium (de)insertion overpotentials, and charge-transfer resistance values. In conclusion, these results indicate that vapor–electrode interactions may be a source of variability in electrochemical behavior over time and suggest that other, more reactive electrode materials may also be susceptible to interactions with electrolyte vapor.
36 MATERIALS SCIENCE↗
Non-equilibrium reducing flame aerosol process to create supported high-entropy alloy nanoparticles
High-entropy alloy (HEA) nanomaterials provide opportunities and property combinations for energy and electronic applications, but their practical synthesis faces challenges of elemental immiscibility, metal reducibility, and particle aggregation during their synthesis. Herein, we report a broadly applicable non-equilibrium, scalable, and in-situ reducing flame aerosol process for synthesis of supported HEA nanoparticles. This versatile process can directly load a high concentration of 2 ~ 4 nm HEA nanoparticles on various 1- to 3-dimensional supports. Notably, simultaneous formation of HEA nanoparticles and a mesoporous silica support was successfully realized in a single step. Exploration of this process demonstrates the role of kinetics and entropy on decreasing alloy particle size and altering the reducibility of elements. We propose an entropy-induced reduction mechanism to incorporate oxidizable elements into HEAs, which extends the compositional space of HEA nanoparticles. As a representative catalytic application, we present a RuPdOsIrPt/graphene electrocatalyst with high activity and stability for hydrogen oxidation reaction. Our findings open horizons for high-performance HEA design and applications in diverse fields such as catalysis, electrochemistry, and sensing.
organic↗
Binding and stability of MgO monomers on anatase TiO 2 (101)
In catalysis, MgO is often used to modify the acid-base properties of support oxides and to stabilize supported metal atoms and particles on oxides. In this study, we show how the sublimation of MgO powder can be used to deposit MgO monomers, hither on anatase TiO 2 (101). A combination of X-ray electron spectroscopy, high-resolution scanning tunneling microscopy, and density functional theory is employed to gain insight into the MgO monomer binding, electronic and vibrational properties, and thermal stability. In the most stable configuration, the Mg and O of the MgO monomer bind to two surface oxygens and one undercoordinated surface titanium, respectively. The additional binding weakens the Mg-O monomer bond and makes the Mg more ionic. The monomers are thermally stable up to 650 K, where the onset of diffusion into the TiO 2 bulk is observed. Finally, the monomeric MgO species on TiO 2 (101) represent an ideal, atomically precise system with modified acid-base properties and will be employed in our future catalytic studies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Parametric Modeling and Economic Analysis of a 2MW th 3-Stream sCO 2 Heat Exchanger
Here, this paper presents the design and cost optimization of a novel 2MW th 3-stream sCO2 plate-fin heat exchanger. This heat exchanger design is unique in that it uses reduced metal oxide particle-to-sCO2 heat exchanger for cost-effective energy storage applications. The design uses low velocity, laminar air as the re-oxidizing reactant to transfer the heat of the re-oxidizing reaction to a sCO2 power loop. The design of the heat exchanger is based on a 2-D, 3-fluid plate/fin heat transfer model. The model parameterizes the size, shape, and number of passages of the heat exchanger to calculate the temperature profile, pressure drop, and fluid velocities of all three fluids. Global heat exchanger parameters such as the effectiveness and total heat transferred to the sCO2 are then calculated for overall performance. Due to the value and increased use of sCO2 heat exchangers in power cycles, a cost model of the system based on the unique high temperature/high pressure operating conditions was created using quotes from reference projects and market analysis. These quoted air-to-sCO2 heat exchangers are then processed using multiple weighting factors pertinent to heat exchanger design, including heat exchanger type, maximum temperature, differential pressures, fluids, duty, and more. These factors are then used in an exponential function in order to generate a parameterized cost curve. The design and cost of the heat exchanger are then optimized using the SMPSO genetic algorithm in Python. The optimization objectives for the system are to maximize the overall system effectiveness, including an air recuperator for preheating, and to minimize unit costs. Additional constraints are added to the system for the sCO2 and air pressure drops, air velocity to reduce particle entrainment, and the length and volume of the heat exchanger.
Cost Model↗
BISON: A Finite Element-Based Nuclear Fuel Performance Code
BISON is a finite element-based nuclear fuel performance code applicable to a variety of fuel forms including light water reactor fuel rods, TRISO particle fuel, and metallic rod and plate fuel. It is a multiphysics fuel analysis tool that solves fully-coupled thermomechanical problems. BISON is based on MOOSE and can efficiently solve problems using standard workstations or very large high-performance computers in a variety of different dimensions, including full 3D, 2D-RZ axisymmetric, layered axisymmetric 1D, and spherically symmetric 1D systems. It is developed by a team of scientists and engineers at Idaho National Laboratory and by collaborators. The development of BISON is supported by various funding agencies, principally the United States Department of Energy.
11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
On Aerosol Liquid Water and Sulfate Associations: The Potential for Fine Particulate Matter Biases
In humid locations of the Eastern U.S., sulfate is a surrogate for aerosol liquid water (ALW), a poorly measured particle constituent. Regional and seasonal variation in ALW–sulfate relationships offers a potential explanation to reconcile epidemiology and toxicology studies regarding particulate sulfur and health endpoints. ALW facilitates transfer of polar species from the gas phase to the particle phase and affects particle pH and metal oxidation state. Though abundant and a potential indicator of adverse health endpoints, ALW is largely removed in most particulate matter measurement techniques, including in routine particulate matter (PM 2.5 ) networks that use federal reference method (FRM) monitors, which are used in epidemiology studies. We find that in 2004, a typical year in the available record, ambient ALW mass is removed during sampling and filter equilibration to standard laboratory conditions at most (94%) sites, up to 85% of the ambient water mass. The removal of ALW can induce the evaporation of other semi-volatile compounds present in PM 2.5 , such as ammonium nitrate and numerous organics. This produces an artifact in the PM mass measurements that is, importantly, not uniform in space or time. This suggests that PM 2.5 epidemiology studies that exclude ALW are biased. This work provides a plausible explanation to resolve multi-decade discrepancies regarding ambient sulfate and health impacts in some epidemiological and toxicological studies
54 ENVIRONMENTAL SCIENCES↗
Methods and systems for 3D printing with powders
A method of printing a three dimensional article (201) can include forming a bottom layer of the three dimensional article (201) by spraying a dry build material powder (210) onto a build platform (230) while heating the dry build material powder (210). The dry build material powder (210) can include metal or ceramic particles mixed with a polymeric binder having a softening point temperature. The dry build material powder (210) can be heated to a temperature above the softening point temperature such that the dry build material powder (210) adheres to the build platform (230). Subsequent layers can be formed by spraying dry build material powder (210) onto a lower layer while heating the dry build material powder (210) such that the dry build material powder (210) adheres to the lower layer.
Fang, Zhigang Zak↗
Glass-metal Fritted Assemblies for Alpha-detection
Explore the source record for details and available documents.
98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
Diesel Particulate Filter Durability Performance Comparison Using Metals Doped B20 vs. Conventional Diesel Part II: Chemical and Microscopic Characterization of Aged DPFs
This project's objective was to generate experimental data to evaluate the impact of metals doped B20 on diesel particle filter (DPF) ash loading and performance compared to that of conventional petrodiesel. The effect of metals doped B20 vs. conventional diesel on a DPF was quantified in a laboratory controlled accelerated ash loading study. The ash loading was conducted on two DPFs - one using ULSD fuel and the other on B20 containing metals dopants equivalent to 4 ppm B100 total metals. Engine oil consumption and B20 metals levels were accelerated by a factor of 5, with DPFs loaded to 30 g/L of ash. Details of the ash loading experiment and on-engine DPF performance evaluations are presented in the companion paper (Part I). The DPFs were cleaned, and ash samples were taken from the cleaned material. X-ray Fluorescence (XRF), X-Ray Photoelectron Spectroscopy (XPS) and X-Ray Diffraction (XRD) were conducted on the ash samples. Core samples were taken from the cleaned DPF and were subjected to scanning electron microscope energy dispersive x-ray spectroscopy (SEM-EDS) and XRF analysis. A comparison of the data from the two DPFs is presented. The XRD and XPS analysis showed that the compounds present in the ash from the two DPFs were nearly identical, though differing in concentrations. CaSO4 was the biggest component of the ash from both DPFs. The metals doped B20 fuel resulted in ash with similar characteristics to that deposited by the lube oil and did not appear to have any deleterious physical effects on the DPF substrate (did not penetrate the substrate).
ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗