Processing and characterization of TiB 2 -TiNiFeCrCoAl high-entropy alloy composite
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Materials Science↗
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Compositional control of radionuclide retention in hollandite-based ceramic waste forms for Cs-immobilization
Hollandite materials, as a class of crystalline nuclear waste forms, are promising candidates for the immobilization of radioactive elements, such as Cs, Ba, as well as a variety of lanthanide and transition-metal fission products. In this study, three Ga-doped titanate hollandite-type phases, Ba 1.33 Ga 2.67 Ti 5.33 O 16 , Ba 0.667 Cs 0.667 Ga 2 Ti 6 O 16 , and Cs 1.33 Ga 1.33 Ti 6.67 O 16 , were synthesized using a solid-state reaction route. All synthesized phases adopted a single phase tetragonal structure, as determined by powder X-ray diffraction (XRD), and elemental analysis confirmed the measured stoichiometries were close to targeted compositions. Extended X-ray absorption fine structure spectroscopy (EXAFS) was used to determine the local structural features for the framework of octahedrally coordinated cations. EXAFS data indicated that Cs 1.33 Ga 1.33 Ti 6.67 O 16 possessed the most disordered local structure centered around the Ga dopant. The enthalpies of formation of all three hollandite phases measured using high-temperature oxide melt solution calorimetry were found to be negative, indicating enthalpies of formation of these hollandites from oxides are thermodynamically stable with respect to their constituent oxides. Furthermore, the formation enthalpies were more negative and hence more favorable with increased Cs content. Finally, aqueous leaching tests revealed that high Cs content hollandite phases exhibited greater Cs retention as compared to low Cs content hollandite. While preliminary in nature, this work draws attention to the links between the capacity for radionuclide retention, atomistic level structural features and bulk thermodynamic properties of materials.
nuclear (including radiation effects), materials a↗
Using Median Point in Keeling Plot to Reduce the Uncertainty of the Isotopic Composition of Evapotranspiration
Abstract The isotopic composition of evapotranspirationδ ET is a crucial parameter in isotope-based evapotranspiration (ET) partitioning and moisture recycling studies. The Keeling plot method is the most prevalent method to calculateδ ET , though it contains large extrapolated uncertainties from the least squares regression. Traditional Keeling regression uses the mean point of individual measurements. Here, a modified Keeling plot framework was proposed using the median point of individual measurements. We tested theδ ET uncertainty using the mean point [σ ET (mean)] and median point [σ ET (median)]. Multiple resolutions of input and output data from six independent sites were used to test the performance of the two methods. Theσ ET (mean) would be greater thanσ ET (median) when the mean value of inverse vapor concentration () is greater than the median value of inverse vapor concentration []. When applying the filter ofr 2 > 0.8, around 70% ofσ ET (mean) was greater thanσ ET (median). This phenomenon might be due to the normality of the vapor concentrationC υ producing the asymmetric distribution of 1/C υ . The median method could perform significantly better than the mean method when inputting high-resolution measurements (e.g., 1 Hz) and when the water vapor concentrationC υ is relatively low. Compared to the mean method, applying the median method could on average reduce 6.88% of ET partitioning uncertainties and could on average reduce 9.00% of moisture recycling uncertainties. This study provided a new insight of the Keeling plot method and emphasized handling model output uncertainty from multiple perspectives instead of only from input parameters.
Meteorology & Atmospheric Sciences↗
Uncertainty quantification of fiber orientation distribution measurements for long-fiber-reinforced thermoplastic composites
We present a detailed methodology for experimental measurement of fiber orientation distribution (FOD) in injection-molded discontinuous fiber composites using the method of ellipses on 2D cross sections. Best practices to avoid biases occurring during surface preparation and optical imaging of carbon-fiber-reinforced thermoplastics are discussed. A marker-based watershed transform routine for efficient image segmentation and the separation of touching fiber ellipses is developed. The sensitivity of the averaged orientation tensor to the image sample size is studied for the case of long-fiber thermoplastics. A Mori-Tanaka implementation of the Eshelby model is then employed to quantify the sensitivity of elastic stiffness predictions to biases in the FOD measurements.
fiber orientation distribution measurement↗
A novel post-processing method for progressive failure analysis of brittle composite compression
Finite element analysis of brittle materials in axial compression typically uses element deletion to allow continued global deformation post-element-failure. However, element deletion produces cyclic load-displacement curves that underestimate energy absorption and are not representative of a continuum system. Two key observations support the conclusion that results from an appropriately discretized model can be an adequate representation of a continuum system. Specifically, the frequency of the oscillations in the load-displacement curve is directly dependent upon element length in the loading direction, and the peak amplitudes of oscillations are mesh size independent. A method of post-processing the analysis results, by connecting the peak amplitudes of oscillations, is proposed and applied to a series of continuous carbon fiber composite crush tubes. The load-displacement curve, stable crushing load, and specific energy absorption of the post-processed results compare well to an experimental study of crush tubes with similar layups.
Materials Science↗
Unit cell determination of coexisting post-perovskite and H-phase in (Mg,Fe)SiO3 using multigrain XRD: compositional variation across a laser heating spot at 119 GPa
Multigrain X-ray diffraction (XRD) can be used to accurately calculate the unit cell parameters of individual mineral phases in a mineral assemblage contained in a diamond anvil cell (DAC). Coexisting post-perovskite (ppv) and H-phase were synthesized at 119 GPa and 2500 K from (Mg 0.85 Fe 0.15 )SiO 3 in a laser-heated DAC. The unit cell parameters of the ppv and coexisting H-phase were determined using multigrain XRD with a 5 μm spatial resolution, close to the size of the X-ray beam, to understand compositional variations across the center area (20–30 μm) in a laser-heated sample. The ppv phase was Fe-depleted and the unit cell volume of ppv decreased by only 0.16 % (corresponding to ~3 % variation of FeSiO 3 ) from the heating center to 10 μm off the center, while the sample pressure remained at 119 GPa in a Ne quasi-hydrostatic environment. The unit cell volume of the H-phase decreased by 0.54 % (~10 % variation of FeSiO 3 content) over the same 10 μm distance. Both phases were more Fe-enriched in the slightly hotter center. This observation suggests that thermal diffusion may not be the major driver for the compositional variations of ppv and H-phase in the center portion of a laser-heated sample. Instead, these variations could be caused by a temperature effect on the partitioning between the ppv and H-phase over the small gradient.
58 GEOSCIENCES↗
Statistical mechanics and pressure of composite multimoded weakly nonlinear optical systems
Statistical mechanics can provide a versatile theoretical framework for investigating the collective dynamics of weakly nonlinear-wave settings that can be utterly complex to describe otherwise. In optics, composite systems arise due to interactions between different frequencies and polarizations. The purpose of this work is to develop a thermodynamic theory that takes into account the synergistic action of multiple components. We find that the type of the nonlinearity involved can have important implications in the thermalization process and, hence, can lead to different thermal equilibrium conditions. Importantly, we derive closed-form expressions for the actual optomechanical pressure that is exerted on the system. In particular, the total optomechanical pressure is the sum of the partial pressures due to each component. Our results can be applied to a variety of weakly nonlinear optical settings such as multimode fibers, bulk waveguides, photonic lattices, and coupled microresonators. We present two specific examples, where two colors interact in a one-waveguide array with either a cubic or quadratic nonlinearity.
Efremidis, Nikolaos K. (ORCID:0000000298300268)↗
Hanford Site Composite Analysis Special Analysis: Inventory and Solid Waste Release Modeling for the LLBG Sensitivity Case - UCAQ-22-01 Inventory Discrepancies for 218-E-12B, 218-W-3A, and 218-W-3AE in the Hanford Site Composite Analysis
This environmental calculation file (ECF) documents the methodologies, assumptions, and results of four sensitivity analyses that reevaluate the representativeness of solid-waste radionuclide inventory and release rate from three solid waste sites included in the recently completed Hanford Site Composite Analysis (CA) (DOE-RL-2019-52, Composite Analysis for Low-Level Waste Disposal in the Hanford Site Central Plateau (FY 2020), Rev. 1) (hereinafter called the CA Update). Specifically, this ECF reevaluates the representativeness of the base case inventory and radionuclide waste release rates from three solid waste sites (i.e., 218-E-12B, 218-W-3A, and 218-W-3AE) and two radionuclides (i.e., carbon-14 [C-14] and technetium-99 [Tc-99]). These three waste sites and two radionuclides were identified as being the most significant contributors to groundwater contamination and dose in the CA Update for the Inner Area boundary at times periods after the compliance period. This ECF first evaluates the representativeness of the C-14 and Tc-99 inventory and second, radionuclide release rates for the three waste sites1. If the inventory and release rates assumed in the CA Update are determined to be not representative, as hypothesized in the CA Update, then this ECF evaluates the impact of more representative inventories and release rates on the transfer of radionuclides to the vadose zone. The four analyses described in this ECF are as follows: 1) 218-E-12B C-14 Inventory and Release Rate Sensitivity Case – Determine the representativeness of the C-14 inventory and associated waste release rate from the 218-E-12B waste site assumed in the CA Update. If the inventory and associated waste release are more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted C-14 release rate and compare the results to the results presented in the CA Update (DOE/RL-2019-52); 2) 218-W-3A C-14 Inventory and Release Rate Sensitivity Case – Determine the representativeness of the C-14 inventory and associated waste release rate from the 218-W-3A waste site assumed in the CA Update. If the inventory and associated waste release are more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted C-14 release rate and compare the results to the results presented in the CA Update (DOE/RL-2019-52); 3) 218-W-3AE Tc-99 Release Rate Sensitivity Case – Determine the representativeness of the Tc-99 inventory and associated waste release rate from the 218-W-3AE waste site assumed in the CA Update. If the inventory and associated waste release are more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted Tc-99 release rate and compare the results to the results presented in the CA Update (DOE/RL-2019-52); 4) 218-W-3AE Tc-99 Release Footprint Sensitivity Case – Determine the representativeness of the Tc-99 waste area footprint for the 218-W-3AE waste site assumed in the CA Update. If the footprint of the waste is more appropriately characterized as being different from the assumptions in the CA Update, then update the predicted Tc-99 release rate and compare the results to the result presented in the CA Update (DOE/RL-2019-52).
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Silicon Carbide and Silicon Carbide Composites for Fusion Reactor Applications
This paper reviews recent achievements as to "nuclear-grade" SiC composites in particular for materials-system integration. SiC composite component development are reviewed including VHTR control rod scale model and compact intermediate heat exchanger scale mode by current joining and assembly techniques. Joining methods for SiC to metal and results of characterization of joint shear strength by the torsion tests using small specimens were also reviewed. The recent results of neutron irradiation experiments were also reviewed including detailed analysis of mechanical properties, irradiation creep and preliminary results on tritium behavior in SiC.
Hinoki, Tatsuya↗
Host genetics and gut microbiota composition: Baseline gut microbiota composition as a possible prognostic factor for the severity of COVID-19 in patients with familial Mediterranean fever disease
It is known that the gut microbiome of a healthy person affects the process of COVID-19 after getting infected with SARS-CoV-2 virus. It is also believed that colchicine can alleviate the severity of COVID-19. Current investigations aimed to evaluate the associations between the baseline gut microbiota composition of healthy and Familial Mediterranean fever (FMF) - carrier Armenian men populations, and the severity of the COVID-19 disease after their infection with the SARS-CoV-2. The study has a purpose of answering three core questions: i. Do the characteristics of gut microbiome of Armenians affect the course of COVID-19 severity? ii. How does the COVID-19 disease course on go for FMF patients who have been taking colchicine as a medication over the years after getting infected with SARS-CoV-2? iii. Is there an initial gut micribiota structure pattern for non-FMF and FMF patients in the cases when COVID-19 appears in mild form? The gut microbiota composition in non-FMF and FMF patients before the first infection (mild and moderate course of COVID-19) was considered. COVID-19 was diagnosed by SARS-CoV-2 nucleic acid RT-PCR in nasopharyngeal swab and/or sputum. The number of patients with male FMF with mild COVID-19 was approximately two times higher than that of non-FMF male subjects with COVID-19. In addition, an association of COVID-19 disease severity with the baseline gut Prevotella, Clostridium hiranonis, Eubacterium biforme, Veillonellaceae, Coprococcus, and Blautia diversities in the non-FMF and FMF populations were revealed by us, which can be used as risk/prognostic factor for the severity of COVID-19.
60 APPLIED LIFE SCIENCES↗
It takes a village: using a crowdsourced approach to investigate organic matter composition in global rivers through the lens of ecological theory
Though community-based scientific approaches are becoming more common, many scientific efforts are conducted by small groups of researchers that together develop a concept, analyze data, and interpret results that ultimately translate into a publication. Here, we present a community effort that breaks these traditional boundaries of the publication process by engaging the scientific community from initial hypothesis generation to final publication. We leverage community-generated data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) consortium to study organic matter composition through the lens of ecological theory. This community endeavor will use a suite of paired physical and chemical datasets collected from 97 river corridors across the globe. With our first step aimed at ideation, we engaged a community of scientists from 20 countries and 60 institutions, spanning disciplines and career stages by holding a virtual workshop (April 2021). In the workshop, participants generated content for questions, hypotheses, and proposed analyses based on the WHONDRS dataset. These ideation efforts resulted in several narratives investigating different questions led by different teams, which will be the basis for research articles in a Frontiers in Water collection. Currently, the community is collectively analyzing, interpreting, and synthesizing these data that will result in seven crowdsourced articles using a single, existing WHONDRS dataset. The use of a shared dataset across articles not only lowers barriers for broad participation by not requiring generation of new data, but also provides unique opportunities for emergent learning by connecting outcomes across studies. Here we will explain methods used to enable this community endeavor aimed to promote a greater diversity of thinking on river corridor biogeochemistry through community science.
Borton, Mikayla A.↗
Effects of defects in composite wind turbine blades – Part 2: Progressive damage modeling of fiberglass-reinforced epoxy composites with manufacturing-induced waves
Abstract. Composite wind turbine blades are typically reliable; however, premature failures are often in regions of manufacturing defects. While the use of damage modeling has increased with improved computational capabilities, they are often performed for worst-case scenarios in which damage or defects are replaced with notches or holes. To better understand and predict these effects, an effects-of-defects study has been undertaken. As a portion of this study, various progressive damage modeling approaches were investigated to determine if proven modeling capabilities could be adapted to predict damage progression of composite laminates with typical manufacturing flaws commonly found in wind turbine blades. Models were constructed to match the coupons from, and compare the results to, the characterization and material testing study presented as a companion. Modeling methods were chosen from established methodologies and included continuum damage models (linear elastic with Hashin failure criteria, user-defined failure criteria, nonlinear shear criteria), a discrete damage model (cohesive elements), and a combined damage model (nonlinear shear with cohesive elements). A systematic, combined qualitative–quantitative approach was used to compare consistency, accuracy, and predictive capability for each model to responses found experimentally. Results indicated that the Hashin and combined models were best able to predict material response to be within 10 % of the strain at peak stress and within 10 % of the peak stress. In both cases, the correlation was not as accurate as the wave shapes were changed in the model; correlation was still within 20 % in many cases. The other modeling approaches did not correlate well within the comparative framework. Overall, the results indicate that this combined approach may provide insight into blade performance with known defects when used in conjunction with a probabilistic flaw framework.
Nelson, Jared W. (ORCID:0000000207736091)↗
Compositions for enhancing hydroysis of cellulosic material by cellulolytic enzyme compositions
The present invention relates to compositions comprising a GH61 polypeptide having cellulolytic enhancing activity and an organic compound comprising a carboxylic acid moiety, a lactone moiety, a phenolic moiety, a flavonoid moiety, or a combination thereof, wherein the combination of the GH61 polypeptide having cellulolytic enhancing activity and the organic compound enhances hydrolysis of a cellulosic material by a cellulolytic enzyme compared to the GH61 polypeptide alone or the organic compound alone. The present invention also relates to methods of using the compositions.
59 BASIC BIOLOGICAL SCIENCES↗
Method of producing particulate-reinforced composites and composites produced thereby
A process for producing particle-reinforced composite materials through utilization of an in situ reaction to produce a uniform dispersion of a fine particulate reinforcement phase. The process includes forming a melt of a first material, and then introducing particles of a second material into the melt and subjecting the melt to high-intensity acoustic vibration. A chemical reaction initiates between the first and second materials to produce reaction products in the melt. The reaction products comprise a solid particulate phase, and the high-intensity acoustic vibration fragments and/or separates the reaction products into solid particles that are dispersed in the melt and are smaller than the particles of the second material. Also encompassed are particle-reinforced composite materials produced by such a process.
36 MATERIALS SCIENCE↗
Method of producing particulate-reinforced composites and composites produced thereby
A process for producing particle-reinforced composite materials through utilization of an in situ reaction to produce a uniform dispersion of a fine particulate reinforcement phase. The process includes forming a melt of a first material, and then introducing particles of a second material into the melt and subjecting the melt to high-intensity acoustic vibration. A chemical reaction initiates between the first and second materials to produce reaction products in the melt. The reaction products comprise a solid particulate phase, and the high-intensity acoustic vibration fragments and/or separates the reaction products into solid particles that are dispersed in the melt and are smaller than the particles of the second material. Also encompassed are particle-reinforced composite materials produced by such a process.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Compounds, compositions, pharmaceutical compositions, and methods of use
Certain embodiments of the invention include compositions comprising a compound of Formula (I), and salts, isomers, and derivatives thereof. Pharmaceutical compositions of some embodiments of the present invention comprise a compound of Formula (I), and salts, isomers, and derivatives thereof. Other embodiments of this invention include methods for treating disease (e.g., cancer) and methods for administering a compound of Formula (I), and salts, isomers, and derivatives thereof.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Durable hydrophobic coating composition for metallic surfaces and method for the preparation of the composition
A durable hydrophobic coating composition containing fluorinated silanes for metallic surfaces, such as stainless steel surfaces. The composition includes at least one fluorine-containing silane compound, at least one phosphorus-containing silane compound, and at least one hydrolysable compound. This coating is suitable for condenser tubes, among other applications, to promote dropwise condensation.
36 MATERIALS SCIENCE↗
Metal fiber composite additive manufacturing (MFC-AM) and composite structures formed by MFC-AM
In a metal fiber composite (MFC) additive manufacturing (AM) method, a layer of polymer structures is deposited using a fused filament fabrication (FFF) printer assembly comprising at least one nozzle. Subsequently, an MFC printer assembly is used to embed a continuous metal fiber into one or more of the polymer structures of the layer. The embedding is achieved by heating the metal fiber and applying pressure to the metal fiber using an embedding surface of the MFC printer assembly. The heated metal fiber melts polymer adjacent thereto, thereby allowing the pressure to embed the metal fiber into the polymer structure. Using the MFC-AM method, various composite structures can be formed, such as novel heat exchangers that may otherwise be difficult or impossible to fabricate via other manufacturing techniques.
Hymas, David M.↗