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At least 1,135 records · Page 63

Hydrothermal Aging Effects on Fe/SSZ-13 and Fe/Beta NH3–SCR Catalysts

Cu/SSZ-13 has been successfully commercialized as a diesel engine exhaust aftertreatment SCR catalyst in the past few years. This catalyst, however, displays undesirable NH3-SCR selectivity at elevated reaction temperature (≥ 350 C) after hydrothermal aging. Fe/zeolites, despite the fact that most of them degrade beyond tolerance after hydrothermal aging at temperatures ≥ 650 C, typically maintain good SCR selectivities. In recent years, Fe/beta has been identified as one of the more robust Fe/zeolites for use in NH3-SCR, where activity maintains even after hydrothermal aging at 750 C. Very recently, we, for the first time, synthesized and tested NH3-SCR performance for fresh and hydrothermally aged Fe/SSZ-13 catalysts. This study demonstrated that Fe/SSZ-13 is also a promising robust SCR catalyst, especially for high-temperature applications. In the present study, we compare catalytic performance between Fe/SSZ-13 and Fe/beta with similar Fe loadings and Si/Al ratios. Special attention is paid to effects from hydrothermal aging, aiming to understanding similarities and differences between these two catalysts. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Program for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.

Environmental Molecular Sciences Laboratory↗

Evolution of TiS and TiN in Fe-40 MassPctNi Austenitic Alloy During Heating at 1273 K (1000 °C)

Evolution of TiS in composition and morphology as well as the change in size distribution of TiS and TiN in Fe-40 masspctNi austenitic alloy during heating at 1273 K (1000 °C) was investigated using manual/automatic scanning electron microscopy energy-dispersive X-ray spectroscopy (SEM/EDS). Two types of TiS morphologies, spindle and spherical, were maintained during heating. The molar ratio of Ti/S of TiS increased while the aspect ratio of TiS was maintained in both alloys during heating. The number density of TiN inclusions was low compared with TiS in each alloy during heating. The pinning effect of TiS during heating was confirmed, and was stronger in alloy with a larger volume fraction of TiS. The results contribute to the establishment of optimum heat treatment processes for austenitic stainless steel to obtain better pitting corrosion resistance.

36 MATERIALS SCIENCE↗

Transient Testing of Nuclear Fuels and Materials in United States

The US Department of Energy (DOE) has been engaged in an effort to develop and qualify next generation LWR fuel with enhanced performance and safety and reduced waste generation since 2010. This program, which has emphasized collaboration between the DOE, U.S. national laboratories and nuclear industry, was refocused from enhanced performance to enhanced accident tolerance following the events at Fukushima in 2011. Accident tolerant fuels have been specifically described as fuels that, in comparison with standard UO2-Zircaloy, can tolerate loss of active cooling in the reactor core for a considerably longer time period (depending on the LWR system and accident scenario) while maintaining or improving the fuel performance during normal operations, operational transients, as well as design-basis and beyond design-basis events. The program maintains an ambitious goal to insert a lead test assembly (LTA) of the new design into a commercial power reactor by 2022 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Geometry Dependence of Magnetization Reversal in Nanocomposite Alloys

The geometrical optimization of aligned hard-soft permanent-magnet nanocomposites is investigated by model calculations. Considered criteria are the shapes of the soft and c-axis-aligned hard phases, the packing fraction of the soft phase, and magnetostatic interactions. Taking into account that the energy product is enhanced via the volume fraction of the soft phase, subject to maintaining coercivity, we find that the best structures are soft-magnetic cubes as well as long rods with a square cross section. Comparing embedded soft cubes with embedded soft spheres of the same size, our nucleation-field analysis shows that the volume fraction of the soft phase is enhanced by 91%, with a coercivity reduction of only 25%. Magnetostatic interactions often but not always deteriorate the permanent-magnet performance, as exemplified by the example of MnBi:FeCo bilayers and multilayers.

magnetization reversal↗

The Elevated-Temperature Strength Enhancement of a Low-Cost β Titanium Alloy Through Thermomechanically-Induced Phase Transformation

The effects of temperature and thermomechanical loading on the tensile strength and hardness were studied for a rolled, low-cost metastable β titanium alloy, Ti-13Cr-1Fe-3Al (wt.%). Tensile tests were performed at temperatures between room temperature (RT) and 410°C. The results indicated that the ultimate tensile strength (UTS) decreased with increasing temperatures up to 300°C. However, the UTS was 1400 MPa at 410°C, which was approximately 150% higher than the RT UTS. It is believed that the formation of nanoscale ω and α precipitates, identified using transmission electron microscopy, hindered the dislocation motion, which resulted in the exceptionally high UTS at 410°C. However, ductility was maintained, as the elongation-to-failure (ϵ f ) was 10% at 410°C. Dynamic mechanical analysis suggested that phase transformations occurred between 370°C-475°C. To evaluate the effect of the phase transformations on the hardness, the as-received material was heat treated at 400°C, 450°C, and 500°C for 2 h, which resulted in hardness values of approximately 340 Hv, 380 Hv, and 470 Hv, respectively. However, the greatest hardness value (500 Hv) was exhibited by the as-received material after it was tensile tested at 410°C. This suggested that both temperature and loading history affected the phase transformations. Finally, as all the samples exhibited a ductile fracture mode, this work indicates that it is possible to maintain both high strength and adequate ϵ f for Ti-13Cr-1Fe-3Al (wt.%).

36 MATERIALS SCIENCE↗

Generalized trigonometric Fourier-series method with automatic time step control for non-linear point kinetics equations

The trigonometric Fourier-series method (TFS) is generalized to provide approximate solutions for non-linear point kinetics equations with feedback using varying step sizes. This method can provide a very stable solution against the size of the discrete time step allowing much larger step sizes to be used. Systems of the point kinetics equations are solved using Fourier-series expansion over a partition of the total time interval. The approximate solution requires determining the series coefficients over each time step in that partition. These coefficients are determined using the high-order derivatives of the solution vector at the beginning of the time step introducing a system of linear algebraic equations to be solved at each step. This system is similar to the Vandermonde system. Two successive orders of the partial sums are used to estimate the local truncation error. This error and some other constrains are used to produce the largest step size allowable at each step while keeping the error within a specific tolerance. The process of calculating suitable step sizes should be automatic and inexpensive. Convergence and stability of the proposed method are discussed and a new formula is introduced to maintain stability. The proposed method solves the general linear and non-linear kinetics problems. The method has been applied to five different types of reactivities including step/ramp insertions with temperature feedback. The method is seemed to be valid for larger time intervals than those used in the conventional numerical integration, and is thus useful in reducing computing time. Computational results are found to be consistent with the analysis, they demonstrate that the convergence of the iteration scheme can be accelerated and the resulting computing times can be greatly reduced while maintain computational accuracy.

97 MATHEMATICS AND COMPUTING↗

60 years of science in ICF: from conception to scientific breakeven on the National Ignition Facility

The recent achievements of a burning plasma, fusion ignition, and scientific energy gain with deuterium-tritium (DT) fuel at Lawrence Livermore National Laboratory’s National Ignition Facility (NIF) represents a major milestone in the development of inertial confinement fusion (ICF) and all of fusion research. In these experiments, fuel pressures well in excess of hundreds of GBars were achieved in the compressed fuel, and robust alpha heating of the fuel, far in excess of the energy provided by the implosion, were demonstrated for the first time. These achievements occurred 60 years after the inception of ICF and the first laser demonstration, and were made possible by more than five decades of research at laser facilities around the world. Advances in laser technology both in wavelength and precision, motivated by improved understanding of laser-plasma interaction physics and the demands of targets; improvements in target fabrication inspired by the need to control and minimize hydrodynamic instabilities in the implosion; and multi-dimensional simulations and diagnostics have been critical to this achievement. This paper will summarize the scientific and technical advances, the surprises, and the challenges that had to be overcome to achieve these goals.

fusion↗

Passivation of a Corrosion Resistant High Entropy Alloy in Non-oxidizing Sulfate Solutions

The passivation behavior of a novel high entropy alloy (HEA) of composition 38Ni-21Cr-20Fe-13Ru-6Mo-2W at.% (33Ni-16Cr-17Fe-19Ru-9Mo-6W wt.%) was investigated in sulfate solutions of various pH levels. The HEA was compared to a commercially available Ni-Cr-Mo-W-Fe alloy, C-22. Experiments were conducted using in-situ electrochemical and ex-situ surface-sensitive methods to probe the growth and dissolution of the passive layer. The HEA exhibited excellent corrosion resistance in highly acidic and highly alkaline solutions, maintaining passivity through a broad range of potentials below the Cr transpassivity range. Extremely rapid and efficient oxide formation and lower quasi-steady passive current densities were observed during oxide growth in the passive range compared to commercial alloy C-22. Ex-situ characterization of the passive film by atom probe tomography and X-ray photoelectron spectroscopy provided insight into the oxide composition, thickness, and elemental valence states of potentiostatically-grown and air-formed oxides. All elements in the alloy were oxidized following potentiostatic oxide growth. Instead of distinct stoichiometric and phase-distinct oxides, a disordered solid solution oxide was observed with significant enrichment in Cr and Ru with the latter depending sensitively on potential, as well as depletion of Fe and Ni. Enrichment of Cr was modeled with a modified surface enrichment model. The oxide thickness was estimated to be 3-4 nm thick. The connection between the enrichment of Cr in the passive layer, Mo and W presence, and excellent passivity is discussed.

corrosion, High entropy alloys, XPS, atom probe to↗

Microstructurally driven self-sharpening mechanism in beaver incisor enamel facilitates their capacity to fell trees

Beavers ( Castor ) stand out among mammals for their unique capacity to fell trees using their large, ever-growing incisors. This routine consumption of resistant fodder induces prodigious wear in the lower incisors, despite this blunting effect the incisors maintain a remarkably sharp cutting edge. Notably, the enamel edges of their incisors show a highly complex two-part microstructure of which the biomechanical import is unknown. Here, using fracture analysis, nanoindentation, and wear testing on North American beaver ( C. canadensis ) incisors we test the microstructure's possible contribution to maintaining incisal sharpness. Although comparable in hardness, the inner enamel preferentially fails and readily wears at 2.5 times the rate of the outer enamel. The outer microstructure redirects all fractures in parallel, decreasing fracture coalescence. Conversely, the inner microstructure facilitates crack coalescence increasing the wear rate by isolating layers of enamel prisms that readily fragment. Together these two architectures form a microstructurally driven self-sharpening mechanism contained entirely within the thin enamel shell. Here, our results demonstrate that enamel microstructures exposed at the occlusal surface can markedly influence both enamel crest shape and surface texture in wearing dentitions. The methods introduced here open the door to exploring the biomechanical functionality and evolution of enamel microstructures throughout Mammalia.

59 BASIC BIOLOGICAL SCIENCES↗

Urban cells: Extending the energy hub concept to facilitate sector and spatial coupling

The rapid growth of urban areas and concerns over climate change make it vital to improve the energy sustainability of cities. Understanding the complex interactions within different sectors (sectoral) and localities (spatial) of cities plays a crucial role in improving efficiency and sustainability, which is extremely challenging due to the complex urban morphology. State-of-the-art energy concepts do not facilitate a detailed consideration of both sectoral and spatial coupling that energy infrastructure maintains at the urban scale. This has become a significant challenge when designing interconnected urban energy infrastructure. The Urban Cell concept is introduced to address this bottleneck. A novel computational model using a modular approach is introduced to create an interconnected urban infrastructure, including the energy, building, and transportation sectors. Optimal sizing of the distributed energy system (including renewables, energy storage, and dispatchable sources) and optimal urban morphology is determined within a modular unit. A game-theoretic approach is used to model the interactions between urban cells (modular units). The study revealed that the urban cell concept can reduce the net present value of the interconnected energy infrastructure by 37% while increasing the installed renewable energy capacity by 25%. This demonstrates the benefit potential of urban cells and the importance of considering interactions between different sectors and different parts within a city. The Urban Cell concept can be used to present the complex interactions maintained within a city.

Perera, ATD↗

Schmid factor crack propagation and tracking crystallographic texture markers of microstructural condition in direct energy deposition additive manufacturing of Ti-6Al-4V

Metallic additive manufacturing (AM) provides a customizable and tailorable manufacturing process for new engineering designs and technologies. The greatest challenge currently facing metallic AM is maintaining control of microstructural evolution during solidification and any solid state phase transformations during the build process. Ti-6Al-4V has been extensively surveyed in this regard, with the potential solid state and solidification microstructures explored at length. In this study, we evaluate the applicability of previously determined crystallo- graphic markers of microstructural condition observed in electron beam melting powder bed fusion (PBF-EB) builds of Ti-6Al-4V in a directed energy deposition (DED) build process. The aim of this effort is to elucidate whether or not these specific crystallographic textures are useful tools for indicating microstructural conditions in AM variants beyond PBF-EB. Parent β-Ti grain size was determined to be directly related to α-Ti textures in the DED build process, and the solid state microstructural condition could be inferred from the intensity of specific α-Ti orientations. Qualitative trends on the as-solidified β-Ti grain size were also determined to be related to the presence of a fiber texture, and proposed as a marker for as-solidified grain size in any cubic metal melted by AM. Analysis of the DED Ti-6Al-4V build also demonstrated a near complete fracture of the build volume, suspected to originate from accumulated thermal stresses in the solid state. Crack propagation was found to only appreciably occur in regions of slow cooling with large α +β colonies. Schmid factors for the basal and prismatic α-Ti systems explained the observed crack pathway, including slower bifurcation in colonies with lower Schmid factors of both slip systems. Colony morphologies and localized equiaxed β-Ti solidification were also found to originate from build pauses during production and uneven heating of the build edges during deposition. Tailoring of DED Ti-6Al-4V microstructures with the insight gained here is proposed, along with cautionary insight on preventing unplanned build pauses to maintain an informed and controlled thermal environment for microstructural control.

36 MATERIALS SCIENCE↗

Assessing the potential of polyculture to accelerate algal biofuel production

To date, the algal biofuel industry has focused on the cultivation of monocultures of highly productive algal strains, but scaling up production remains challenging. However, algal monocultures are difficult to maintain because they are easily contaminated by wild algal strains, grazers, and pathogens. In contrast, theory suggests that polycultures (multispecies assemblages) can promote both ecosystem stability and productivity. A greater understanding of species interactions and how communities change with time will need to be developed before polycultures can be successfully applied to large-scale algal production efforts. Here in this paper we review the agricultural and ecological literature to explore opportunities for increased annual biomass production through the use of algal polycultures. We discuss case studies where algal polycultures have been successfully maintained for industries other than the biofuel industry, as well as the few studies that have compared biomass production of algal polycultures to that of monocultures. Assemblages that include species with complementary traits are of particular promise. These assemblages have the potential not only to increase crop productivity and stability, but they may also be capable of utilizing natural resources (e.g. light, nutrients, water) more efficiently via tighter niche packing. Therefore, algal polycultures show promise for enhancing biomass productivity, enabling sustainable production and reducing overall production costs.

09 BIOMASS FUELS↗

Evaluation of phenotype stability and ecological risk of a genetically engineered alga in open pond production

Genetically engineered (GE) algae offer the promise of producing food, fuel, and other valuable products with reduced requirements for land and fresh water. While the gains in productivity measured in GE terrestrial crops are predicted to be mirrored in GE algae, the stability of phenotypes and ecological risks posed by GE algae in large-scale outdoor cultivation remain unknown. In this paper, we describe the first US Environmental Protection Agency (EPA)-sanctioned experiment aimed at understanding how GE algae perform in outdoor cultivation. Acutodesmus dimorphus was genetically engineered by the addition of two genes, one for enhanced fatty acid biosynthesis, and one for recombinant green fluorescence protein (GFP) expression; both the genes and their associated phenotypes were maintained during fifty days of outdoor cultivation. We also observed that while the GE algae dispersed from the cultivation ponds, colonization of the trap ponds by the GE strain declined rapidly with increasing distance from the source cultivation ponds. In contrast, many species of indigenous algae were found in every trap pond within a few days of starting the experiment. When inoculated in water from five local lakes, the GE algae's effect on biodiversity, species composition, and biomass of native algae was indiscernible from those of the wild-type (wt) progenitor algae, and neither the GE nor wt algae were able to outcompete native strains. We conclude that GE algae can be successfully cultivated outdoors while maintaining GE traits, and that for the specific GE algal strain tested here they did not outcompete or adversely impact native algae populations when grown in water taken from local lakes. Finally, this study provides an initial evaluation of GE algae in outdoor cultivation and a framework to evaluate GE algae risks associated with outdoor GE algae production.

09 BIOMASS FUELS↗

Bacterial communities protect the alga Microchloropsis salina from grazing by the rotifer Brachionus plicatilis

Open algal ponds are likely to succumb to unpredictable, devastating crashes by one or several deleterious species. Developing methodology to mitigate or prevent pond crashes will increase algal biomass production, drive down costs for algae farmers, and reduce the risk involved with algae cultivation, making it more favorable for investment by entrepreneurs and biotechnology companies. In this work, we postulate that specific algal-bacterial co-cultures grown with the green alga Microchloropsis salina prevented grazing by the marine rotifer, Brachionus plicatilis. We obtained seven algal-bacterial co-cultures from crashed rotifer cultures, maintained them in co-culture with Microchloropsis salina , and used a microalgal survival assay to determine that algae present in each co-culture were protected from rotifer grazing and culture crash. After months of routinely diluting and maintaining these seven algal-bacterial co-cultures, we repeated the assay and found the opposite result: none of the seven bacterial communities protected the microalgae from rotifer grazing. We performed 16S rRNA gene amplicon sequencing on the protective and nonprotective co-culture samples and identified substantial differences in the makeup of the bacterial communities. Protective bacterial communities consisted primarily of Alphaproteobacteria (Rhodobacteraceae) and Gammaproteobacteria ( Marinobacter , Pseudomonas, Methylophaga ) while nonprotective bacterial communities were less diverse and missing many putatively crucial members. We compared the seven protective communities with the seven nonprotective communities and we correlated specific bacterial amplicon sequence variants with algal protection. With these data, our future research will aim to define and develop an engineered-microbiome that can stabilize industrial Microchloropsis salina cultures by protecting against grazer-induced pond crashes.

59 BASIC BIOLOGICAL SCIENCES↗

Cost minimization of deoxygenation for control of Vampirovibrio chlorellavorus in Chlorella sorokiniana cultures

Deoxygenation is a strategy for preventing Vampirovibrio chlorellavorus infection of Chlorella sorokiniana cultures. Deoxygenation cost was minimized by sparging with nitrogen gas for only one hour at the onset of night and relying on naturally-occurring dark-respiration to maintain low oxygen concentrations throughout the night. This technique substantially reduced V. chlorellavorus infection in laboratory co-cultures. The cost of the approach was evaluated in outdoor experiments with one pure water and one pathogen-free C. sorokiniana culture, grown in a 150-L sealed, vented, translucent-polyethylene reactor. Unlike the small laboratory reactors, which were also sealed and vented, the much larger outdoor reactor maintained the dissolved oxygen concentration in the C. sorokiniana culture at near zero concentration throughout the night cycle. This demonstrates that large covered tanks in commercial applications would keep oxygen concentration near zero for the entire night. The total nitrogen sparged, per night, per liter of algal culture, was determined for the 150-L reactor, and used to estimate the cost per m2 for large scale raceways. Onsite nitrogen generators are the most cost-effective method to supply a high flow of nitrogen gas to commercial scale raceways. The cost of deoxygenation treatment ranged from $16/ton AFDW algae for a shallow (2 cm) gravity flow system with 75% harvest prior to deoxygenation to over $1,300/ton for a 20 cm depth raceway with plastic tanks.

59 BASIC BIOLOGICAL SCIENCES↗

Impact of changes in protective behaviors and out-of-household activities by age on COVID-19 transmission and hospitalization in Chicago, Illinois

Even with an efficacious vaccine, protective behaviors (social distancing, masking) are essential for preventing COVID-19 transmission and could become even more important if current or future variants evade immunity from vaccines or prior infection. Here we created an agent-based model representing the Chicago population and conducted experiments to determine the effects of varying adult out-of-household activities (OOHA), school reopening, and protective behaviors across age groups on COVID-19 transmission and hospitalizations. From September-November 2020, decreasing adult protective behaviors and increasing adult OOHA both substantially impacted COVID-19 outcomes; school reopening had relatively little impact when adult protective behaviors and OOHA were maintained. As of November 1, 2020, a 50% reduction in young adult (age 18-40) protective behaviors resulted in increased latent infection prevalence per 100,000 from 15.93 (IQR 6.18, 36.23) to 40.06 (IQR 14.65, 85.21)and 19.87 (IQR 6.83, 46.83) to 47.74 (IQR 18.89, 118.77) with 15% and 45% school reopening. Increasing adult (age ≥18) OOHA from 65% to 80% of pre-pandemic levels resulted in increased latent infection prevalence per 100,000 from 35.18 (IQR 13.59, 75.00) to 69.84 (IQR 33.27, 145.89) and 38.17 (IQR 15.84, 91.16) to 80.02 (IQR 30.91, 186.63) with 15% and 45% school reopening. Similar patterns were observed for hospitalizations. In areas without widespread vaccination coverage, interventions to maintain adherence to protective behaviors, particularly among younger adults and in out-of-household settings, remain a priority for preventing COVID-19 transmission.

60 APPLIED LIFE SCIENCES↗

Reactor physics analysis of a new Accident Tolerant Fuel called Fuel-in-Fibers

Fuel-in-Fibers (F-in-F) is an Accident Tolerant Fuel (ATF) concept aimed at significantly increasing the fission product retention capability of nuclear fuel at high temperatures, similar to another ATF concept, Fully Ceramic Microencapsulated Fuel (FCM). FCM, however, when implemented in a conventional Pressurized Water Reactor (PWR) fuel geometry, is not able to maintain an 18-month fuel cycle length and remain below the proliferation enrichment limit of 20 w/o 235 U using the standard cycle reload strategy. The F-in-F enrichment is decreased by putting the fuel in a cylindrical fiber instead of a spherical particle in order to increase the volume fraction of fuel in the pellet. The fibers are created with a direct manufacturing process that allows for the minimization of the volume occupied by the SiC matrix and the maximization of uranium loading via direct deposition of high density fuels like uranium nitride (UN). The full core reactor physics simulation showed that when the F-in-F design used UN as a fuel, it only required enrichments of 6% to maintain an 18-month fuel cycle length. Based on a full core analysis when compared to the current reference fuel for a standard 4-loop Westinghouse PWR, F-in-F has a similar steady state thermal hydraulic and neutronic performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗