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  1. American Society of Composites, 32nd Technical Conference

    This paper will present a general methodology by which weave draping manufacturing simulation results can be utilized to include the effects of weave draping and scissor angle in a structural multiscale simulation. While the methodology developed is general in nature, this paper will specifically demonstrate the methodology applied to a truncated pyramid, utilizing manufacturing simulation weave draping results from ESI PAM-FORM, and multiscale simulation using Altair Multiscale Designer (MDS) and OptiStruct. From a multiscale simulation perspective, the weave draping manufacturing simulation results will be used to develop a series of woven unit cells which cover the range of weave scissormore » angles existing within the part. For each unit cell, a multiscale material model will be developed, and applied to the corresponding spatial locations within the structural simulation mesh. In addition, the principal material orientation will be mapped from the wave draping manufacturing simulation mesh to the structural simulation mesh using Altair HyperMesh mapping technology. Results of the coupled simulation will be compared and verified against experimental data of the same available via General Motors (GM) Department of Energy (DOE) project.« less
  2. SCC Initiation Behavior of Alloy 182 in PWR Primary Water

    SCC initiation behavior of 15% cold forged specimens cut from four different alloy 182 weldments was investigated in 360°C simulated PWR primary water under constant load at the yield stress using direct current potential drop to perform in-situ monitoring of SCC initiation time. Within each weldment, one or more specimens underwent SCC initiation within 24 hours of reaching full load while some specimens had much longer initiation times, in a few cases exceeding 2500 hours. Detailed examinations were conducted on these specimens with a focus on different microstructural features such as preexisting defects, grain orientation and second phases, highlighting anmore » important role of microstructure in crack initiation of alloy 182.« less
  3. Ionic liquid compatibility in polyethylene oxide/siloxane ion gel membranes

    Ion gel films were prepared by incorporating eight commercially available ionic liquids in two different cross-linked polymer matrices to evaluate their phase miscibility, gas permeability and ionic conductivity for potential applications as gas separation membranes and solid electrolyte materials. The ionic liquids cations were 1-ethyl-3-methylimidazolium, 1-ethyl-3-methylpyridinium, 1-butyl-1-methylpyrrolidinium, tributylmethylphosphonium, and butyltrimethylammonium with a common anion (bis(trifluoromethylsulfonyl)imide). In addition, ionic liquids with 1-ethyl-3-methylimidazolium cation with acetate, dicyanamide and tetrafluoroborate counterions were evaluated. The two polymers were cross-linked poly(ethylene oxide) and cross-linked poly(ethylene oxide)/siloxane copolymer. Differential scanning calorimetry, X-ray diffractometry and visual observations were performed to evaluate the ion gels’ miscibility, thermal stabilitymore » and homogeneity. Ionic liquids with the least basic anion (bis(trifluoromethylsulfonyl)imide) and aromatic cations containing acidic proton (e.g. imidazolium and pyridinium) gave the most stable and miscible ion gels. Phase stability was shown to be a function of both ionic liquid content and temperature, with phase separation observed at elevated temperatures. In conclusion, gas permeability testing with carbon dioxide and nitrogen and ionic conductivity measurements confirmed that these ionic liquids increased the gas permeability and ionic conductivity of the polymers.« less
  4. Structural identification of Zn xZr yO z catalysts for Cascade aldolization and self-deoxygenation reactions

    Complementary characterizations, such as nitrogen sorption, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), visible Raman, scanning transmission electron microscopy (STEM) coupled with elemental mapping, NH3/CO2 temperature programmed desorption (NH3/CO2-TPD), infrared spectroscopic analysis of adsorbed pyridine (Py-IR), and CO2-IR, have been employed to identify the structure and surface chemistry (i.e., acid-base) of mixed Zn xZr yO z oxide catalysts of varied ratios of Zn/Zr. Atomically dispersed Zn2+ species are present in the framework within a thin surface shell (1.5-2.0 nm) of ZrO2 particles when the Zn/Zr ratio is smaller than 1/10; when the ratio is above this, both atomically dispersed Zn2+more » and ZnO clusters coexist in mixed Zn xZr yO z oxide catalysts. The presence of ZnO clusters shows no significant side effect but only a slight increase of selectivity to CO2, caused by steam reforming. The incorporation of atomic Zn2+ into the ZrO2 framework was found to not only passivate strong Lewis acid sites (i.e., Zr-O-Zr) on ZrO2, but to also generate new Lewis acid-base site pairs with enhanced Lewis basicity on the bridged O (i.e., ). In the mixed ketone (i.e., acetone and methyl ethyl ketone (MEK)) reactions, while the passivation of strong acid sites can be correlated to the inhibition of side reactions, such as ketone decomposition and coking, the new Lewis acid-base pairs introduced enhance the cascade aldolization and self-deoxygenation reactions involved in olefin (C3=-C6=) production. More importantly, the surface acid-base properties change with varying Zn/Zr ratios, which in turn affect the cross- and self-condensation reactivity and subsequent distribution of olefins.« less
  5. Quantification of kinetic rate law parameters for the dissolution of natural autunite in the presence of aqueous bicarbonate ions at high concentrations

    Uranium is a key contaminant of concern in the groundwater at 91 waste sites at 18 U.S. Department of Energy (DOE) facilities within the United States and is a potential source of groundwater contamination and a risk to human health and the environment through discharges to surface water. Dissolved inorganic carbon (bicarbonate/carbonate) has a high affinity for complexing with uranium that is present as sorbed or unique uranium-bearing mineral phases within the sedimentary matrix. This process can result in the formation of soluble uranyl carbonate aqueous species, which are mobile under circumneutral pH conditions. This study was conducted to quantifymore » the rate of release of uranium from the autunite mineral, (Ca[(UO 2)(PO 4)] 2∙3H 2O), that was formed during polyphosphate injection to remediate uranium; the dissolution of uranium was studied as a function of the aqueous bicarbonate concentration, ranging from 25 to 100 mM. Experiments were carried out in the pH range from 7 to 11 in the temperature range of 23-90°C via single-pass flow-through testing. Consistent with the results of previous studies (Gudavalli et al., 2013 a, b), the rate of uranium release from autunite exhibited minimal dependency on temperature, but was strongly dependent on pH and increasing concentrations of bicarbonate in the solution. Data obtained during these experiments were compared with results of previous experiments conducted using a low-concentration range of bicarbonate solutions (0.5-3.0 mM). An 8- to 30 fold increase in the rate of uranium release was observed in the presence of high bicarbonate concentrations at pH 7-8 compared to low bicarbonate values, while at pH 9-11, there was only a 5-fold increase in uranium rate of release with an increase in bicarbonate concentrations. The rate of uranium release was calculated to be between 5.18 x 10 -8 and 1.69 x 10 -7 mol m -2 s -1. The activation energy values at high and low bicarbonate concentrations were similar, with ratio values in the range of 0.6-1.0.« less
  6. Soiling and cleaning: Initial observations from 5-year photovoltaic glass coating durability study

    The contamination of solar photovoltaic cover glass can significantly reduce the transmittance of light to the surface of the photovoltaic cell, reducing the module's power output. The solar industry has been developing antireflection (AR) and antisoiling (AS) surface coatings to enhance light transmittance and mitigate the impacts of soiling. Although uncoated glass has been field tested for decades, minimal data exist to demonstrate the durability of AR and AS coatings against abrasion and surface erosion, including from: natural weathering, airborne sand, and industry cleaning practices. Coupons 75 mm square of varying types have been field-deployed to gather long-term data onmore » coating durability; the initial results are presented here after 1 year of outdoor exposure near Sacramento, California. Duplicate sets of coupons were cleaned monthly per four different cleaning practices. All coupons demonstrated inorganic soiling as well as microscale biological contamination, regardless of cleaning method. Additionally, full-sized, field-aged modules from other areas of the world presented with similar types of contamination as the field-aged coupons; micrographs and results from genomic sequencing of this contamination are included here. Optical microscopy, scanning electron microscopy, atomic force microscopy/energy-dispersive spectroscopy, surface roughness, transmittance, and surface energy analysis of representative specimens and cleaning practices are presented.« less
  7. Co-aromatization of methane with olefins: The role of inner pore and external surface catalytic sites

    The co-aromatization of methane with olefins is investigated using Ag-Ga/HZSM-5 as the catalyst at 400 degrees C. The presence of methane has a pronounced effect on the product distribution in terms of increased average carbon number and substitution index and decreased aromatic carbon fraction compared with its N2 environment counterpart. The participation of methane during the co-aromatization over the Ag-Ga/HZSM-5 catalyst diminishes as the co-fed olefin feedstock molecule becomes larger, from 1-hexene to 1-octene and 1-decene, in diameter. The effect of suppressed methane participation with larger olefinic molecules is not as significant when Ag-Ga/HY is employed as the catalyst, whichmore » might be attributed to the larger pore size of HY that gives more room to hold olefin and methane molecules within the inner pores and reduces the diffusion limitation of olefin molecules. The effect of olefin feedstock on the methane participation during the co-aromatization over Ag-Ga/HZSM-5 is experimentally evidenced by 13C and 2D NMR. The incorporation of the methane carbon atoms into the phenyl ring of product molecules is reduced significantly with larger co-fed olefins, whereas its incorporation into the substitution groups of the formed aromatic molecules is not notably affected, suggesting that the methane participation in the phenyl ring formation might preferably occur within inner pores, while its incorporation into substitution groups may mainly take place on external catalytic sites. This hypothesis is well supported by the product selectivity obtained over Ag-Ga/HZSM-5 catalysts prepared using conventional ZSM-5, ZSM-5 with the external catalytic sites deactivated, nanosize ZSM-5, ZSM-5 with a micro/meso pore structure and ZSM-5 with the inner pores blocked, and further confirmed by the isotopic labeling studies.« less
  8. Reliability and heat transfer performance of a miniature high-temperature thermosyphon-based thermal valve

    Latent heat thermal energy storage systems have the advantages of near isothermal heat release and high energy density compared to sensible heat, generally resulting in higher power block efficiencies. Until now, there has been no highly effective and reliable method to passively extract that stored latent energy. Most modern attempts rely on external power supplied to a pump to move viscous heat transfer fluids from the phase change material (PCM) to the power block. In this work, the problem of latent heat dispatchability has been addressed with a redesigned thermosyphon geometry that can act as a 'thermal valve' capable ofmore » passively and efficiently controlling the release of heat from a thermal reservoir. A bench-scale prototype with a stainless steel casing and sodium working fluid was designed and tested to be reliable for more than fifty 'on/off' cycles at an operating temperature of 600 degrees C. The measured thermal resistances in the 'on' and 'off' states were 0.0395 K/W and 11.0 K/W respectively. This device demonstrated efficient, fast, reliable, and passive heat extraction from a PCM and may have application to other fields and industries using thermal processing.« less
  9. Wet waste-to-energy resources in the United States

    Waste-to-energy (WTE) technologies present an opportunity to recycle organic waste material into renewable energy while offsetting disposal and environmental costs. A key challenge to ensuring economic and environmental viability of WTE is understanding the variability of individual WTE resource characteristics, including their location, amount, and quality. The main objective of this study is to estimate the wet WTE resource potential in the United States and illustrate its geographic distribution. The wet resources considered in this study are wastewater sludge, animal manure, food waste, and FOG (fats, oils, and greases). This study is the first to achieve results below national level,more » at the finest geographic resolution. Our analysis indicates that about 566 teragrams (Tg) of wet WTE resources are generated annually in the United States. This amount corresponds to about 1 exajoule (EJ), which is sufficient to displace about 18% of the 2015 U.S. on-highway diesel consumption on an energy basis. About half of this potential is generated by animal manure.« less
  10. Neutron Capture Energies for Flux Normalization and Approximate Model for Gamma-Smeared Power

    The Consortium for Advanced Simulation of Light Water Reactors (CASL) Virtual Environment for Reactor Applications (VERA) neutronics simulator MPACT has used a single recoverable fission energy for each fissionable nuclide assuming that all recoverable energies come only from fission reaction, for which capture energy is merged with fission energy. This approach includes approximations and requires improvement by separating capture energy from the merged effective recoverable energy. This report documents the procedure to generate recoverable neutron capture energies and the development of a program called CapKappa to generate capture energies. Recoverable neutron capture energies have been generated by using CapKappa withmore » the evaluated nuclear data file (ENDF)/B-7.0 and 7.1 cross section and decay libraries. The new capture kappas were compared to the current SCALE-6.2 and the CASMO-5 capture kappas. These new capture kappas have been incorporated into the Simplified AMPX 51- and 252-group libraries, and they can be used for the AMPX multigroup (MG) libraries and the SCALE code package. The CASL VERA neutronics simulator MPACT does not include a gamma transport capability, which limits it to explicitly estimating local energy deposition from fission, neutron, and gamma slowing down and capture. Since the mean free path of gamma rays is typically much longer than that for the neutron, and the total gamma energy is about 10% to the total energy, the gamma-smeared power distribution is different from the fission power distribution. Explicit local energy deposition through neutron and gamma transport calculation is significantly important in multi-physics whole core simulation with thermal-hydraulic feedback. Therefore, the gamma transport capability should be incorporated into the CASL neutronics simulator MPACT. However, this task will be timeconsuming in developing the neutron induced gamma production and gamma cross section libraries. This study is to investigate an approximate model to estimate gammasmeared power distribution without performing any gamma transport calculation. A simple approximate gamma smearing model has been investigated based on the facts that pinwise gamma energy depositions are almost flat over a fuel assembly, and assembly-wise gamma energy deposition is proportional to kappa-fission energy deposition. The approximate gamma smearing model works well for single assembly cases, and can partly improve the gamma smeared power distribution for the whole core model. Although the power distributions can be improved by the approximate gamma smearing model, still there is an issue to explicitly obtain local energy deposition. A new simple approach or gamma transport/diffusion capability may need to be incorporated into MPACT to estimate local energy deposition for more robust multi-physics simulation.« less
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