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At least 289 records · Page 16

Unraveling the Effects of Hierarchical Bimodal Microscale Porosity on Thick Electrodes

The thick electrode design is preferential in high-energy lithium-ion batteries (LIBs) systems. However, the sluggish ionic transport in homogeneous porous thick electrodes severely limits the areal capacity at high charging/discharging rates. The hierarchical porous design is a promising approach to mitigate kinetic limitations because it can distribute mass effectively in natural systems. In this study, the effects of bimodal microscale pores are fully investigated in thick electrodes from both architectural and electrochemical perspectives. Notably, by introduction of the bimodal microscale porous structure, the rate capability improves remarkably in thick electrodes with a low porosity (39%). Herein, by combining experimental results with simulations, this work presents a rational design guideline for preparing thick electrodes with a porosity at the commercial level, as well as simultaneous high energy and power densities, which brings new insights into the advanced electrode architecture design in scalable high-energy and high-power energy storage systems for practical applications.

25 ENERGY STORAGE↗

Thermal Conductivity Comparison of Indium Gallium Zinc Oxide Thin Films: Dependence on Temperature, Crystallinity, and Porosity

Here, the cross-plane thermal conductivity of InGaZnO (IGZO) thin films was measured using the 3ω technique from 18 to 300 K. The studied morphologies include amorphous (a-IGZO), semicrystalline (semi-c-IGZO), and c-axis-aligned single-crystal-like IGZO (c-IGZO) grown by pulsed laser deposition (PLD) as well as a-IGZO deposited by sputtering and by solution combustion processing. The atomic structures of the amorphous and crystalline films were simulated with ab initio molecular dynamics. The film quality and texturing information was assessed by X-ray diffraction and grazing incidence wide-angle X-ray scattering. X-ray reflectivity was also conducted to quantify film densities and porosities. All the high-density films exhibit an empirical power-law temperature dependence of the thermal conductivity $κ \sim T^{0.6}$ in the specified temperature range. Among the PLD dense films, semi-c-IGZO exhibits the highest thermal conductivity, remarkably exceeding both films with more order (c-IGZO) and with less order (a-IGZO) by a factor of 4. The less dense combustion-synthesized films, on the other hand, exhibited lower thermal conductivity, quantitatively consistent with a porous film using either an effective medium or percolation model. All samples are consistent with the porosity-adapted Cahill–Pohl (p-CP) model of minimum thermal conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating the presence of porosity in Brazilian archaeological pottery associating x-radiography and PIXE

X-Radiography technique has been used effectively for decades to evaluate and identify differences in homogeneities in samples. It is a simple, fast and non-destructive technique that provides a view of internal structure helping investigating manufacturing details of archaeological ceramics. Characteristics of the paste used in the matrix composition can be derived using PIXE technique through the determination of the major elemental composition allowing the calculation of its expected density. Combining this information with x-ray images is possible to check for differences in the average density of material indicating the presence of homogeneously distributed porosity or temper. The present work evaluates the porosity in a set of native Brazilian pottery sherds that were collected in the Aldeia Lalima archaeological site, located at Mato Grosso do Sul State.

36 MATERIALS SCIENCE↗

Towards III-V solar cells on Si: Improvement in the crystalline quality of Ge-on-Si virtual substrates through low porosity porous silicon buffer layer and annealing

A comparison between the crystalline quality of Ge grown on bulk Si and on a low porosity porous Si (pSi) buffer layer using low energy plasma enhanced chemical vapor deposition is reported. Omega/2Theta coupled scans around the Ge and Si (004) diffraction peaks show a reduction of the Ge full-width at half maximum (FWHM) of 22.4% in presence of the pSi buffer layer, indicating it is effective in improving the epilayer crystalline quality. At the same time atomic force microscopy analysis shows an increase in root means square roughness for Ge grown on pSi from 38.5 nm to 48.0 nm, as a consequence of the larger surface roughness of pSi compared to bulk Si. The effect of 20 minutes vacuum annealing at 580°C is also investigated. The annealing leads to a FWHM reduction of 23% for Ge grown on Si and of 36.5% for Ge on pSi, resulting in a FWHM of 101 arcsec in the latter case. At the same time, the RMS roughness is reduced of 8.8% and of 46.5% for Ge grown on bulk Si and on pSi, respectively. The biggest improvement in the crystalline quality of Ge grown on pSi with respect to Ge grown on bulk Si observed after annealing is a consequence of the simultaneous reorganization of the Ge epilayer and the buffer layer driven by energy minimization. A low porosity buffer layer can thus be used for the growth of low defect density Ge on Si virtual substrates for the successive integration of III-V multijunction solar cells on Si. The suggested approach is simple and fast –thus allowing for high throughput-, moreover is cost effective and fully compatible with subsequent wafer processing. Finally it does not introduce new chemicals in the solar cell fabrication process and can be scaled to large area silicon wafers.

36 MATERIALS SCIENCE↗

Proton transport in ice at 30–140 K: Effects of porosity

We examined the role of porosity, a crucial characteristic of amorphous solid water (ASW), on electrostatic charging and discharging of ASW films with 500 eV He{sup +} and Xe{sup +} ions, by measuring the surface potentials with a Kelvin probe. When a charged ASW film is heated, its surface potential decreases sharply, at temperatures that depend on the maximum temperature the film was once subject to. This sharp decrease of the surface potential is not due to a large thermally induced increase of the dielectric constant ε as proposed in other studies, since measurements of ε yielded a value of ∼3 below ∼100 K. Rather, the potential drop can be explained by the transport of the surface charge to the substrate, which depends on film porosity. We propose that the charge migrates along the walls of the pores within the ASW film, facilitated by the thermally induced reorientation of the incompletely coordinated molecules on the pore walls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning the spectral emittance of α-SiC open-cell foams up to 1300 K with their macro porosity

A simple and robust analytical model is used to finely predict the spectral emittance under air up to 1300 K of α-SiC open-cell foams constituted of optically thick struts. The model integrates both the chemical composition and the macro-porosity and is valid only if foams have volumes higher than their Representative Elementary Volumes required for determining their emittance. Infrared emission spectroscopy carried out on a doped silicon carbide single crystal associated to homemade numerical tools based on 3D meshed images (Monte Carlo Ray Tracing code, foam generator) make possible to understand the exact role of the cell network in emittance. Finally, one can tune the spectral emittance of α-SiC foams up to 1300 K by simply changing their porosity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Numerical Simulation of Thermodynamic Parameters of High-Porosity Copper

We propose that a modified equation of state be used for calculating the thermodynamically equilibrium TEC2 model for improving the reliability of description of thermodynamic parameters of shock loading of pure materials and heterogeneous mixtures of various porosities. For copper, the parameters of a thermally consistent equation of state have been determined. A reliable description of shock-wave loading of copper has been obtained using a small number of fitting parameters determined from the concordance with experimental data. Thermodynamic parameters have been simulated for copper with various porosities; the compression ratio and the temperature along the shock adiabat have been determined, and the value of heat capacity along the normal isobar has been calculated. The results of calculations are compared with available experimental results obtained by different authors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Groundwater and Surface Water Flow (GSFLOW) model files to explore bedrock circulation depth and porosity in Copper Creek, Colorado

This data package contains integrated hydrological model input and output files for Copper Creek, Colorado (24 km2), a tributary of the East River located in the headwaters of the Upper Colorado River Basin. The model code is the U.S. Geological Survey (USGS) Groundwater and Surface Water Flow (GSFLOW) model. The model contains a 100-m grid resolution and a daily timestep. The land surface model is dynamically linked to a three-dimensional groundwater flow model that allows for streamflow gaining and losing conditions. The groundwater model contains 12 model layers and extends 400 m below land surface. The original Copper Creek model was modified to contain geologic layers representing saprolite, shallow bedrock, and deep bedrock. Endmember depth versus hydraulic conductivity relationships and porosity values for fractured crystalline rock are simulated. For the shallow case, median flow depths occur in the shallow saprolite at depths <8 m, while the deep case promotes a median groundwater flow depth of 100 m. With this modeling framework we compare streamflow response to a plausible worst-case drought lasting up to five years. Streamflow metrics of analysis include average streamflow, fraction of stream network that is dry, no-flow duration, average groundwater flow to streams and time to recovery following the drought. Results and implications are presented in a paper submitted to Geophysical Research Letters titled, "The role of bedrock circulation depth and porosity in mountain streamflow response to prolonged drought" by Rosemary WH. Carroll, Andrew H. Manning and Kenneth H Williams. A Readme.txt file provides instructions on how to download all model files and execute each model scenario. In addition to the GSFLOW output/prms/copper_drought.csv file containing daily basin water stores and fluxes (refer to GSFLOW manual) and the output/prms/copper_drought_statvar.dat file with output defined in the gsflow3.control file (refer to GSFLOW Manual), output files also include spatially distributed daily values of total evapotranspiration, canopy evaporation, precipitation, snowfall, infiltration, snow water equivalent, potential evapotranspiration, recharge, sublimation, soil moisture, contributing interflow, water table elevations, changes in groundwater storage, groundwater evapotranspiration, interbasin groundwater flow (limited to the alluvium below the stream outlet), and surface-groundwater exchanges within the river system.

54 ENVIRONMENTAL SCIENCES↗

Predicting Fracture Porosity Evolution in Sandstone

To better understand the porosity, strength, chemical reactivity, and patterns of fractures in the subsurface, we used evidence from mineral deposits in open fractures to unravel how fracture growth and diagenesis interact to create and destroy fracture porosity. Quartz cement textures and associated fluid inclusions and thermal histories provided data used to infer the duration and rates at which fractures open.

54 ENVIRONMENTAL SCIENCES↗

Modeling the Relationship Between Porosity and Permeability During Oxidation of Ablative Materials

The ablative materials used in thermal protection systems (TPS) undergo oxidation during atmospheric entry which leads to an in-depth change in both permeability and porosity. These properties have a significant affect on heat transfer in a TPS during entry. X-ray micro-tomography has provided 3D images capturing the micro-structure of TPS materials. In this study, we use micro-tomography based simulations to create high-fidelity models relating permeability to porosity during oxidation of FiberForm, the carbon fiber preform of the Phenolic Impregnated Carbon Ablator (PICA) often used as a TPS material. The goal of this study is to inform full-scale models and reduce uncertainty in TPS modeling.

Ablativ↗

Multivariate Machine Learning Models of Nanoscale Porosity from Ultrafast NMR Relaxometry

Abstract Nanoporous materials are of great interest in many applications, such as catalysis, separation, and energy storage. The performance of these materials is closely related to their pore sizes, which are inefficient to determine through the conventional measurement of gas adsorption isotherms. Nuclear magnetic resonance (NMR) relaxometry has emerged as a technique highly sensitive to porosity in such materials. Nonetheless, streamlined methods to estimate pore size from NMR relaxometry remain elusive. Previous attempts have been hindered by inverting a time domain signal to relaxation rate distribution, and dealing with resulting parameters that vary in number, location, and magnitude. Here we invoke well‐established machine learning techniques to directly correlate time domain signals to BET surface areas for a set of metal‐organic frameworks (MOFs) imbibed with solvent at varied concentrations. We employ this series of MOFs to establish a correlation between NMR signal and surface area via partial least squares (PLS), following screening with principal component analysis, and apply the PLS model to predict surface area of various nanoporous materials. This approach offers a high‐throughput, non‐destructive way to assess porosity in c.a. one minute. We anticipate this work will contribute to the development of new materials with optimized pore sizes for various applications.

Fricke, Sophia N.↗

Multivariate Machine Learning Models of Nanoscale Porosity from Ultrafast NMR Relaxometry

Abstract Nanoporous materials are of great interest in many applications, such as catalysis, separation, and energy storage. The performance of these materials is closely related to their pore sizes, which are inefficient to determine through the conventional measurement of gas adsorption isotherms. Nuclear magnetic resonance (NMR) relaxometry has emerged as a technique highly sensitive to porosity in such materials. Nonetheless, streamlined methods to estimate pore size from NMR relaxometry remain elusive. Previous attempts have been hindered by inverting a time domain signal to relaxation rate distribution, and dealing with resulting parameters that vary in number, location, and magnitude. Here we invoke well‐established machine learning techniques to directly correlate time domain signals to BET surface areas for a set of metal‐organic frameworks (MOFs) imbibed with solvent at varied concentrations. We employ this series of MOFs to establish a correlation between NMR signal and surface area via partial least squares (PLS), following screening with principal component analysis, and apply the PLS model to predict surface area of various nanoporous materials. This approach offers a high‐throughput, non‐destructive way to assess porosity in c.a. one minute. We anticipate this work will contribute to the development of new materials with optimized pore sizes for various applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Micromechanical and fatigue in situ synchrotron characterization of an additively manufactured superalloy with porosity

Additive manufacturing (AM) has the potential to transform component production, but its widespread adoption is constrained by defects, such as pores, that compromise structural integrity. Here, this study investigates the influence of porosity on the micromechanical and fatigue response of AM Inconel 718 (IN718), a widely used aerospace superalloy. One baseline specimen with minimal stochastic porosity and another intentionally seeded with lack of fusion (LOF) pores were examined using high-energy X-ray diffraction microscopy (HEDM) and micro-computed tomography during cyclic loading. Fatigue cracks in the LOF specimen initiated more frequently and at lower cycle counts than in the baseline specimen. The number fraction of fatigue cracks that grew was comparatively higher in the LOF specimen. Grain-level metrics, including stress and diffraction spot widths, were quantified using far-field HEDM. Across the thousands of grains detected in both specimens, the pores in the LOF specimen increased the variability of stress and spot width evolution in the azimuthal direction, the latter serving as a surrogate measure of plastic deformation. However, no correlations emerged between these metrics and grain proximity to fatigue crack initiation sites or pores, underscoring the limitations of grain-averaged metrics for predicting fatigue. Nonetheless, the rich dataset reported here provides a foundation for future modeling efforts.

High-energy X-ray diffraction microscopy↗

Porosity and hydrophilicity modulated quaternary ammonium-based sorbents for CO 2 capture

Quaternary ammonium (QA)-based polymeric sorbents are known to be effective for CO 2 capture, especially from ultradilute streams like air. In this work, we address two major challenges in QA sorbent design for application in moisture-swing processes, porosity control and hydrophilicity modulation. Facilely substituting porous CO 2 -active components for non-porous ones can enhance the sorption kinetics by 4-fold compared to the state-of-art, and micro–mesoporous structures are identified as optimal porous structures. A method to modulate the hydrophilicity of QA-based sorbents is developed using controlled radical polymerization, incorporating fluorine-containing monomers. The CO 2 sorption capacity and the tolerance towards moisture are simultaneously enhanced via adjustment of the structure and the content of fluorine-containing blocks. Finally, we postulate that porosity and hydrophilicity optimization can make QA-based sorbents adaptive to deployment of scalable moisture-swing processes in varied and complex atmospheric circumstances.

42 ENGINEERING↗

Influence of casting porosity on the corrosion behaviour of Mg0.1Si

We investigated the influence of casting porosity on the corrosion behaviour of Mg0.1Si for immersion in 3.5% NaCl solution saturated with Mg(OH) 2 . The corrosion behaviour was characterised using (i) hydrogen evolution, (ii) weight loss, (iii) cathodic polarisation curves, (iv) electrochemical impedance spectroscopy (EIS), and (v) an examination of the corroded surfaces. Specimens with porosity had higher corrosion rates attributed to the corrosion associated with the pores activating significant corrosion over the whole specimen surface, wherein important aspects were (i) the breakdown of a partly protective surface film, and (ii) micro-galvanic acceleration of the corrosion by Fe-rich particles.

36 MATERIALS SCIENCE↗

Correlating energy density induced residual stress, porosity, and mechanical property variations in directed energy deposition using neutron diffraction and imaging techniques

In a directed energy deposition (DED) process, the energy density deposited into the materials drives the structure and properties. The energy density is influenced by several printing parameters, such as laser power, hatch spacing, scanning speed, etc. In this study, 316L stainless steels samples were fabricated with varying hatch spacing aiming to induce variations in sample microstructure and properties. A combination of techniques including engineering neutron diffraction, neutron computed tomography, and tensile testing, were employed to correlate the structure and macroscopic properties. Porosity was predominantly observed at the bottom of the deposited materials and was effectively reduced by decreased hatch spacing. Correlatively, compressive residual stress was observed at the bottom of the specimens, while internal stress is largely determined by the hatch spacing. The residual stress in general decreases as the hatch spacing decreases. The maximum ultimate tensile strength (UTS) was found to increase from 517.4 to 528.6 MPa with a strain increased from 0.847 to 0.897 as the hatch spacing decreased from 0.45 to 0.42 mm. However, further increase in energy density by reducing the hatch spacing resulted in a significant decrease in UTS (as low as 452 MPa). This work provides new insights from bulk non-destructive techniques into correlating energy density induced residual stress, porosity, and mechanical property variations in directed energy deposition.

316L stainless steel↗

Site specific, high-resolution characterisation of porosity in graphite using FIB-SEM tomography

Graphite is used as a moderator of fast neutrons in some types of nuclear reactors and for other industrial applications. The influence of smaller pores on the mechanical and physical properties of graphite remains to be fully understood. Here in this work, focused ion beam-scanning electron microscopy (FIB-SEM) tomography was applied to characterise the porosity of AGX graphite – an electrode material. FIB-SEM tomography consists in alternating the ion milling and SEM imaging at an area of interest with the objective of creating a 3D reconstruction. Regions containing a filler and a mixture of filler and binder were selected as the areas of interest. Resolutions of a few nanometers were achieved in volumes up to 1400 μm 3 for both regions. Typical porous structures were detected in the filler and binder regions such as thermal cracks, gas evolution porosity and lenticular pores. The resolution achieved with these experiments made possible detection of pores smaller than 150 nm in diameter, that is of the length scale of voids generated by neutron irradiation, and an improvement in spatial resolution of traditional x-ray tomography studies. The resolution achieved by FIB-SEM tomography may be essential for the study of the microstructure of graphite, providing complimentary data to x-ray tomography experiments.

36 MATERIALS SCIENCE↗

Correlation among porosity, mechanical properties, morphology, electronic conductivity and electrochemical kinetics of dry-processed electrodes

Dry processing (DP) has received great interest recently, which poses many advantages over the conventional slurry-based processing. Here, this work investigates the effect of compression on electrode mechanical properties, morphology, electronic conductivity, and electrochemical kinetics. Similar to the slurry-based electrodes, LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC) cathodes with intermediate porosity (i.e., 32%) demonstrate lowest charge transfer resistance, highest electronic conductivity and best rate performance. Fracture of NMC secondary particles is observed in the dry processed NMC cathodes. Reducing electrode porosity results in more fracture in the NMC secondary particles.

25 ENERGY STORAGE↗