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At least 1,045 records · Page 58

The role of grain size in He bubble formation: Implications for swelling resistance

Here, nanocrystalline metals are postulated as radiation resistant materials due to their high defect and particle (e.g. Helium) sink density. Here, the performance of nanocrystalline iron films is investigated in-situ in a transmission electron microscope (TEM) using He irradiation at 700 K. Automated crystal orientation mapping is used in concert with in-situ TEM to explore the role of grain orientation and grain boundary character on bubble density trends. Bubble density as a function of three key grain size regimes is demonstrated. While the overall trend revealed an increase in bubble density up to a saturation value, grains with areas ranging from 3000 to 7500 nm 2 show a scattered distribution. An extrapolated swelling resistance based on bubble size and areal density indicated that grains with sizes less than 2000 nm 2 possess the greatest apparent resistance. Moreover, denuded zones are found to be independent of grain size, grain orientation, and grain boundary misorientation angle.

36 MATERIALS SCIENCE↗

Single-size and cluster dynamics modeling of intra-granular fission gas bubbles in UO 2

For this work, we perform simulations of intra-granular fission gas bubble evolution in UO 2 using both a relatively simple, computationally inexpensive single-size model and a detailed cluster dynamics model. Simulations encompass 36 experimental cases from 4 different databases, covering various temperature and burnup levels. We systematically compare results from the two models to each other and to post-irradiation experimental data of bubble average size and number density. Overall, the model-to-model comparisons reveal an excellent agreement across the set of simulations. This outcome indicates that, in spite of the underlying assumptions, the single-size model provides a good approximation of the complex physical behavior that is more rigorously described by the cluster dynamics model. Qualitatively, both models reproduce the trends of the experimental data with temperature and burnup correctly. Quantitatively, calculated results are either in good agreement with the data or within errors that appear consistent with the inherent uncertainties. Moreover, for the single-size model, we demonstrate and assess a multiscale approach whereby values for the fission gas atom diffusion coefficient from separate atomistic calculations are used. Systematic comparisons to experimental data point out a credible accuracy of the multiscale model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Single-crystal NMC622 from combustion-assisted solid-state synthesis: Tunable particle size, voltage-dependent stability, and Li-ion diffusion

Cost-effective and scalable synthesis of single-crystal lithium–metal-oxide cathodes with controlled size and morphology remains challenging for advancing high-performance lithium-ion batteries. Here, we demonstrate a solution combustion–assisted solid-state method for producing single-crystal NMC622 with tunable particle size at various lithium stoichiometries. Structural and electronic characteristics were probed using synchrotron-XANES, EXAFS, XRD and XPS, confirming well-defined coordination environments and phase purity up to Li ≈ 1.3. The electrochemical behavior of LixNMC (x = 1.0 and 1.3) single crystals was evaluated across 2.8–4.3 V and 2.8–4.7 V windows to elucidate the effects of lithium content and operating voltage. At 2.8–4.3V, Li1.3NMC exhibits higher initial capacity due to its larger lithium inventory, while Li1.0NMC shows superior long-term retention driven by its larger crystal size and reduced structural distortion. Increasing the cutoff voltage to 4.7 V enhances the initial capacity of both compositions by 17–25%, but long-term capacity retention ultimately converges to values comparable to those at 4.3 V due to voltage-induced degradation, where Li+ diffusion constant remains lying ranging from 10−12 –10−11 cm2s−1. Overall, this study establishes a scalable combustion-assisted route for synthesizing tunable single-crystal NMC622 and highlights the interplay between lithium stoichiometry, particle size, and voltage window in governing cathode stability.

Roy, Subrata C [Jackson State University]↗

Microstructural characterization and strengthening behavior of nanometer sized carbides in Ti–Mo microalloyed steels during continuous cooling process

Nanometer-sized carbides that precipitated in a Ti–Mo bearing steel after interrupted continuous cooling in a temperature range of 620–700 °C with or without hot deformation were investigated by field-emission-gun transmission electron microscopy. The nanometer-sized carbides were identified as randomly homogeneous precipitation carbides and interphase precipitation carbides coexisting in the ferrite matrix. It is found that this dual precipitation morphology of carbides in the steel leads to the non-uniform mechanical properties of individual ferrite grains. Vickers hardness data mainly revealed that, in the specimens cooled at a rate of 0.5 °C/s without hot deformation, the range of Vickers hardness distribution was 230–340 HV 0.1 when cooling was interrupted at 680 °C, and 220–360 HV 0.1 when cooling was interrupted at 650 °C. For the specimens cooled at a rate of 0.5 °C/s with hot deformation, the range of Vickers hardness distribution was 290–360 HV 0.1 when cooling was interrupted at 680 °C, and 280–340 HV 0.1 when cooling was interrupted at 650 °C. Therefore, a narrower range of hardness distribution occurred in the specimens that underwent hot deformation and were then cooled with a lower interrupted cooling temperature. The uniform precipitation status in each ferrite grain can lead to ferrite grains with a narrower Vickers hardness distribution. On the other hand, interrupted cooling produced a maximum Vickers hardness of 320–330 HV 0.1 for the hot deformed specimens and 290–310 HV 0.1 for the non-deformed specimens with cooling interrupted in the temperature range of 660–670 °C. The maximum Vickers hardness obtained in such a temperature range can be ascribed to the full precipitation of the microalloying elements in the supersaturated ferrite matrix with a tiny size (~ 4–7 nm). - Highlight: • The interrupted continuous cooling temperatures were 620 °C to 700 °C. • Precipitation carbides with dual dispersed morphology coexisted in the matrix. • Heavy hot deformation narrowed the range of hardness distribution. • Full precipitation of nano-sized carbides achieved maximum hardening.

36 MATERIALS SCIENCE↗

Insights into determining pore size properties of ultrafiltration membranes

The selectivity of porous membranes is often characterized using solute rejection tests, where membranes are challenged with dilute aqueous solutions of neutral solutes at operating conditions that minimize concentration polarization and fouling. In single solute tests, a membrane is challenged with one molecular weight (MW) solute at a time from low to high MW. Since single solute methods are time-intensive, mixed solute tests have become more common, where a mixture of several MW solutes challenges a membrane at once. However, the presence of large solutes in a mixture increases the rejection of smaller solutes. Furthermore, there are no universally accepted operating conditions or standard methods used by membrane manufacturers or researchers for the experiments, leading to difficulty in pore size and pore characteristic comparisons. In this paper, commercial ultrafiltration membranes were challenged with single and mixed solute polyethylene glycol (PEG) and dextran aqueous solutions. First, rejection values determined using total organic carbon (TOC) and high-performance liquid chromatography (HPLC) from single solute filtration experiments are compared. Differences in rejection curves obtained by the two techniques are attributed to solute polydispersity. Mixed solute filtration experiments with binary mixtures of solutes showcased co-solute interactions, which increase with both the size and weight percent of large solute in the mixture. Mixed solute filtration experiments at varying operating conditions (i.e., stir speed and flux) were conducted to determine operating conditions that mitigate co-solute interactions. Stir speed had a minimal effect on co-solute interactions. In contrast, low flux conditions can help minimize co-solute interactions, leading to pore size distributions that closely resemble results observed in single solute filtration using narrowly dispersed solutes. Additionally, at low flux conditions, the predicted membrane pore size distributions utilizing mixed solute experiments with PEG and dextran were similar.

36 MATERIALS SCIENCE↗

Assessing the influence of microstructure on uranium hydride size distributions via small angle neutron scattering

Here, the effect of microstructure on the internal hydriding behavior of both cast (1 mm grain size) and rolled (25 μm grain size) uranium containing hydrogen concentrations between 0 and 1.8 wppm were evaluated via small angle neutron scattering (SANS). Increasing hydrogen content up to 1.8 wppm in the cast uranium only weakly affected the average uranium hydride (UH 3 ) precipitate size, calculated from the SANS data. Conversely, the UH 3 phase fraction was found to strongly depend on the hydrogen content in the same cast samples. A substantially reduced UH 3 particle size distribution was observed in the rolled uranium relative to cast uranium containing the same nominal hydrogen content. It is hypothesized that the suppression of UH 3 formation in the rolled uranium is driven by increased hydrogen trapping at grain boundaries, and theoretical calculations that account for trap density, potency, and hydrogen diffusion kinetics support this hypothesis.

36 MATERIALS SCIENCE↗

Influence of grain size on α' Cr precipitation in an isothermally aged Fe-21Cr-5Al alloy

Cr-rich α' precipitation during aging typically leads to hardening and accordingly embrittlement of FeCrAl alloys, which needs to be suppressed. The influence of grain size on α' precipitation was studied by aging coarse-grained (CG), ultra-fine grained (UFG), and nanocrystalline (NC) ferritic Kanthal-D [KD; Fe-21Cr-5Al (wt.%) alloy] at 450, 500 and 550 °C for 500 h. After aging at 450 and 500 °C, less hardening was observed in the UFG KD than in CG KD. Atom probe tomography indicated a lower number density and larger sized intragranular α' in the UFG versus the CG alloy. The smaller grain size and higher defect (vacancy and dislocation) density in the UFG KD facilitated diffusion and accordingly enhanced precipitation kinetics, leading to coarsening of precipitates, as well as saturation of precipitation at lower temperatures, as compared to those in CG KD. No hardening occurred in UFG and CG KD after aging at 550 °C, indicating that the miscibility gap is between 500 and 550 °C. NC KD exhibited softening after aging owing to grain growth. α' precipitation occurred in NC KD aged at 450 °C but not at 500 °C, indicating that miscibility gap is between 450 and 500 °C. Thus, the significantly smaller grain size in NC KD decreased the miscibility gap, as compared to that in CG and UFG KD. Finally, this is attributed to the absorption of vacancies by migrating grain boundaries during aging, suppressing α' nucleation and enhancing Cr solubility.

36 MATERIALS SCIENCE↗

Tuning domain size and crystallinity in isoindigo/PCBM organic solar cells via solution shearing

Despite having achieved the long sought-after performance of 10% power conversion efficiency, high performance organic photovoltaics (OPVs) are still mostly constrained to lab scale devices fabricated by spin coating. Efforts to produce printed OPVs lag considerably behind, and the sensitivity to different fabrication methods highlights the need to develop a comprehensive understanding of the processing-morphology relationship in printing methods. Here we present a systematic experimental investigation of a model low bandgap polymer/fullerene system, poly-isoindigo thienothiophene/PC 61 BM, using a lab-scale analogue to roll-to-roll coating as the fabrication tool in order to understand the impact of processing parameters on morphological evolution. We report that domain size and polymer crystallinity can be tuned by a factor of two by controlling the temperature and coating speed. Lower fabrication temperature simultaneously decreased the phase separation domain size and increased the relative degree of crystallinity in those domains, leading to improved photocurrent. We conclude that domain size in isoindigo/PCBM is dictated by spontaneous phase separation rather than crystal nucleation and growth. Moreover we present a model to describe the temperature dependence of domain size formation in our system, which demonstrates that morphology is not necessarily strictly dependent on the evaporation rate, but rather on the interplay between evaporation and diffusion during the printing process.

14 SOLAR ENERGY↗

Nonlinear size dependent analysis and effectiveness of nanocrystalline micro/nanogyroscopes

Vibratory micro/nanogyroscopes made of nanocrystalline silicon have a complex microstructure consisting of grains, voids, and interface material phases. Given that the length scale of such inertial sensors is close to the size of the grains themselves, classical continuum mechanics theories are no longer adequate to accurately model the dynamic behaviors of these sensors. In this work, the couple stress and surface elasticity are incorporated to the governing equations of an electrically-actuated, amplitude-based, capacitive sensing cantilever gyroscope to obtain a comprehensive model of the nano-system. Then, the impact of the size dependent effects on the nonlinear dynamic behavior of the gyroscope is investigated by studying its performance for gyroscopes ranging in size from the micro-to the nano-scale. The present numerical study shows that the additional stiffness contributions from the couple stress and surface elasticity and changes in scale cause significant changes in the frequency response, nonlinear behaviors, and sensitivity of the gyroscope to the rotation rates. Furthermore, this numerical analysis demonstrates the importance of accounting for size dependent effects for micro/nanogyroscopes in order to avoid any deterioration of the effectiveness of the gyroscope operability.

42 ENGINEERING↗

Plankton energy flows using a global size-structured and trait-based model

Plankton community models are critical tools for understanding the processes that shape marine plankton communities, how plankton communities impact biogeochemical cycles, and the feedbacks between community structure and function. Here, using the flexible Marine Biogeochemistry Library (MARBL), we present the Size-based Plankton ECological TRAits (MARBL-SPECTRA) model, which is designed to represent a diverse plankton community while remaining computationally tractable. MARBL-SPECTRA is composed of nine phytoplankton and six zooplankton size classes represented using allometric scaling relationships for physiological traits and interactions within multiple functional types. MARBL-SPECTRA is embedded within the global ocean component of the Community Earth System Model (CESM) and simulates large-scale, emergent patterns in phytoplankton growth limitation, plankton phenology, plankton generation time, and trophic transfer efficiency. The model qualitatively reproduces observed global patterns of surface nutrients, chlorophyll biomass, net primary production, and the biogeographies of a range of plankton size classes. In addition, the model simulates how predator:prey dynamics and trophic efficiency vary across gradients in total ecosystem productivity. Shorter food chains that export proportionally more carbon from the surface to the ocean interior occur in productive, eutrophic regions, whereas in oligotrophic regions, the food chains are relatively long and export less organic matter from the surface. The union of functional type modeling with size-resolved, trait-based modeling approaches allows MARBL-SPECTRA to capture both large-scale elemental cycles and the structure of planktonic food webs affecting trophic transfer efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

Control of both particle and pore size in nanoporous palladium alloy powders

Energy storage materials often involve chemical reactions with bulk solids. Porosity within the solids can enhance reaction rates. The porosity can be either within or between individual particles of the material. Greater control of the size and uniformity of both types of pore should lead to enhancements of charging and discharging rates in energy storage systems. Furthermore, to control both particle and pore size in nanoporous palladium (Pd)-based hydrogen storage materials, first we created uniformly sized copper particles of about 1 μm diameter by the reduction of copper sulfate with ascorbic acid. In turn, these were used as reducing agents for tetrachloropalladate in the presence of a block copolymer surfactant. The copper reductant particles are geometrically self-limiting, so the resulting Pd particles are of similar size. The surfactant induces formation of 10 nm-scale pores within the particles. Some residual copper is alloyed with the Pd, reducing hydrogen storage capacity; use of a more reactive Pd salt can mitigate this. The reaction is conveniently performed in gram-scale batches.

25 ENERGY STORAGE↗

Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation

Multiphase flows are ubiquitous in many industrial processes. The inherent coupling of different phases poses many unique challenges in predicting and effectively controlling these processes. Hence, computational modeling and simulation offers a viable approach to overcome these challenges. Here in this study, we present recent development efforts for enhancing the physical modeling capabilities of an open-source computational modeling tool for real life industrial multiphase processes by enabling particle-size polydispersity and demonstrating with an associated validation study. The proposed implementation was performed in MFIX open-source framework due to its unique feature of tightly integrated computational fluid dynamics and discrete element method solvers for simulating coupled continuum fluid and granular flows. We have implemented the polydispersity feature in a minimally invasive way and provided means to allow easy specification of an arbitrary particle size distribution function, which also enables the user to easily handle an arbitrary number of solid phases, each possessing a distinct arbitrary particle-size distribution. To establish the credibility of improvements, we have carried out a preliminary verification and validation (V&V) study for the polydispersity feature by employing a hopper bin discharge problem, which is frequently encountered in industrial applications. Specifically, two types of micro-glass beads with distinct size distributions are used to fill the hopper in two possible packing arrangements, i.e., well-mixed and layered configurations, with varying mass (particle number) ratios. The experimentally obtained discharge dynamics (e.g., normalized discharge mass fraction for one of the phases versus the overall discharge mass fraction) for different systems is found to be in excellent agreement with the corresponding simulation results.

42 ENGINEERING↗

Variations in GARS powder microstructure as a function of powder chemistry and particle size

The properties of metal produced through powder metallurgy depends on the feedstock used. Powders produced via gas atomization reaction synthesis (GARS) are used to produce oxide dispersion strengthened alloys. The desired powder size range can vary for each consolidation technique. However, powder microstructure also can vary with powder particle size, which in turn can impact the microstructure and properties of the consolidated parts. In this study, GARS powders are characterized via inductively coupled plasma mass spectroscopy, inert gas fusion, and high-resolution x-ray diffraction to determine variations in elemental and phase compositions. Transmission electron microscopy was used to understand microstructure variations as a function of chemistry and size. Across the three batches tested intermetallic content was 0.73–1.35 wt% in the 0-20 μm powder batch and increased to 2.46–3.80 wt% in the coarse 45-106 μm batch. Across all batches, volume percent of surface oxidation decreased with powder diameter, with volume percents within the range of 0.75–1.2 % across 10 μm powder particles, and below 0.4 % across coarse powder particles approximately 100 μm in diameter. These observations were supported by inert gas fusion measurements. However, the oxide layer was thicker in coarse powder particles due to a slower cooling rate. Increasing oxygen content in atomization gas to 2000 ppm and adding yttrium increased both the surface oxidation content and yttrium intermetallic content. Lastly, intermetallic phases within the powder coarsened with powder size. Intermetallic morphology changed from fine spherical intermetallic and columnar dendritic growth to a cellular structure with finer spherical intermetallic, to coarse irregular intermetallic and intermetallic along grain boundaries as a result of slower cooling rate and solidification rate in coarse powder particles. Furthermore, the addition of zirconium does not appear to significantly change intermetallic morphology, but the composition changed from a Y-Fe rich intermetallic to a Y-Zr-Fe intermetallic.

42 ENGINEERING↗

Economic dispatch of offshore renewable energy resources for islanded communities with optimal storage sizing

Coastal or isolated microgrids depend on diesel generators and could benefit from renewable energy resources, especially offshore wind and wave energy. Integrating these resources into microgrids is complicated by their high intermittency, which requires optimal economic dispatch to effectively evaluate. This study considers three coastal or islanded sites, and uses mid-fidelity models of wind and wave energy technologies, and local demand data to solve the optimal economic dispatch problem. An optimal storage sizing method is developed that finds the smallest capacity of energy storage required to meet the microgrid load during each season. The storage capacity decreases by a factor of two at most when adding wave energy converters to a system. Adding wave energy converters to a farm decreases cost by about 30%. Furthermore, the required storage size varies by two to three times from summer to winter. Compared with the state-of-the-art approaches that often overlook realistic offshore renewable energy technology in microgrid economic dispatch and optimal storage sizing, the proposed solution introduced in this study allows for better site selection, microgrid design, converter selection, and storage sizing considerations for isolated microgrids.

16 TIDAL AND WAVE POWER↗

Grain size induced monoclinic ( Cm ) to rhombohedral ( R3c ) transformation in sodium potassium bismuth titanate ceramics

Here, grain size effect on structure, remnant polarization and piezoelectric constant of lead-free Na 0.4 K 0.1 Bi 0.5 TiO 3 ceramics with grain sizes of 0.58, 0.85, 1.19 and 1.83 pm was investigated. Synchrotron X-ray diffraction in combination with Rietveld refinement was used to examine the structural changes. We have reported an existence of monoclinic ( Cm ) phase at room temperature and discussed the grain size (1.83 → 0.58 μ m) induced structural transformation ( Cm → R3c ) through both intrinsic polarization rotation and adaptive phase theory. Polarization vector in the (11¯0) pc monoclinic plane rotates towards [111] pc with the reduction of grain size. Better domain alignment and large polar variants results enhanced remnant polarization and piezoelectric constant in 1.83 μ m sample.

36 MATERIALS SCIENCE↗

Effect of Biochar and Biochar Particle Size on Plant-Available Water of Sand, Silt Loam, and Clay Soil

Biochar is being used as a soil amendment to improve soil hydraulic properties. It has been reported that biochar increases plant-available water, particularly in coarse-textured soils; however, effects on fine-textured soils are less pronounced. Here, we quantified the effects of biochar particle size on plant-available water in sand, silt loam, and clay soils. We amended these soils with a hydrophilic biochar, and packed soil-biochar mixtures into columns of 5.35-cm diameter and 3.0-cm height. Biochar was produced by gasification of woody forest residues. We applied the biochar at two different rates (0.5\% and 2\% by weight of C) and with four different biochar particle-size fractions ($<$4.75, $<$2.0, $<$1.0 and $<$0.5 mm). Our results show that biochar amendments increased the plant-available water (when expressed gravimetrically) of all three soils, particularly at the highest biochar application rate. Although the absolute increase in plant-available water was largest for the silt loam soil, the relative increase of plant-available water was greater for the sand than for the silt loam and clay. When expressed in volumetric terms, however, the effects on water retention were less pronounced: the sand showed a small increase in plant-available water with biochar amendment, and no change was observed with the silt loam and clay. Particle size of biochar had little effect on plant-available water (when expressed in gravimetric terms) in the three soils, but silt loam and clay showed increased plant-available water (when expressed in volumetric terms) with decreasing biochar particle size, while no effect was observed for the sand. While our findings corroborate many of the previously reported effects of biochar on soil-water retention, we show that the effects and their magnitude depend on whether the results are reported in terms of gravimetric or volumetric water contents. Because bulk density tends to decrease with increasing biochar application, so will the volumetric water content, and thus the magnitude of the effect on plant-available water will be smaller when expressed in volumetric water content.

hydraulic properties, water holding capacity, soil↗

Service area size assessment for evaluating the spatial scale of solid waste recovery chains: A territorial perspective

Highlights: • A model to evaluate the service area size of a waste recovery chain is proposed. • A recovery performance score is given per waste source. •The areas to be collected in priority are the sources with the highest score. • The score depends on the source's characteristics and the recovery technology. •Replacing anaerobic digestion by composting decreases the facility's spatial scale. - Abstract: Waste recovery is an integrated part of municipal solid waste management systems but its strategic planning is still challenging. In particular, the service area size of facilities is a sensitive issue since its calculation depends on various factors related to treatment technologies (output products) and territorial features (sources waste production and location). This work presents a systemic approach for the estimation of a chain's service area size, based on a balance between costs and recovery profits. The model assigns a recovery performance value to each source, which can be positive, neutral or negative. If it is positive, the source should be included in the facility's service area. Applied to the case of Montreal for food waste recovery by anaerobic digestion, the approach showed that at most 23 out of the 30 districts should be included in the service area, depending on the indicator, which represents around 127,000 t of waste recovered/year. Due to the systemic approach, these districts were not necessarily the closest to the facility. Moreover, for the Montreal case, changing the facility's location did not have a great influence on the optimal service area size, showing that the distance to the facility was not a decisive factor at this scale. However, replacing anaerobic digestion by a composting plant reduced the break-even transport distances and, thus, the number of sources worth collecting (around 68,500 t/year). In this way, the methodology, applied to different management strategies, gave a sense of the spatial dynamics involved in the recovery chain's design. The map of optimal supply obtained could be used to further analyse the feasibility of multi-site and/or multi-technology systems for the territory considered.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Precision Loading and Delivery of Molecular Cargo by Size-Controlled Coacervation of Gold Nanoparticles Functionalized with Elastin-like Peptides

Thermoresponsive elastin-like peptides (ELPs) have been extensively investigated in biotechnology and medicine, but little attention has been paid to the process by which coacervation causes ELP-decorated particles to aggregate. Here, using gold nanoparticles (AuNPs) functionalized with a cysteine-terminated 96-repeat of the VPGVG sequence (V96-Cys), we show that the size of the clusters that reversibly form above the ELP transition temperature can be finely controlled in the 250 to 930 nm range by specifying the concentration of free V96-Cys in solution and using AuNPs of different sizes. We further find that the localized surface plasmon resonance peak of the embedded AuNPs progressively red-shifts with cluster size, likely due to an increase in particle–particle contacts. We exploit this fine control over size to homogeneously load precise amounts of the dye Nile Red and the antibiotic Tetracycline into clusters of different hydrodynamic diameters and deliver cargos near-quantitatively by deconstructing the aggregates below the ELP transition temperature. Beyond establishing a key role for free ELPs in the agglomeration of ELP-functionalized particles, our results provide a path for the thermally controlled delivery of precise quantities of molecular cargo. This capability might prove useful in combination photothermal therapies and theranostic applications, and to trigger spatially and temporally uniform responses from biological, electronic, or optical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗