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At least 865 records · Page 48

Structural Polymorphism of Chitin and Chitosan in Fungal Cell Walls From Solid-State NMR and Principal Component Analysis

Chitin is a major carbohydrate component of the fungal cell wall and a promising target for novel antifungal agents. However, it is technically challenging to characterize the structure of this polymer in native cell walls. Here, we recorded and compared 13 C chemical shifts of chitin using isotopically enriched cells of six Aspergillus, Rhizopus, and Candida strains, with data interpretation assisted by principal component analysis (PCA) and linear discriminant analysis (LDA) methods. The structure of chitin is found to be intrinsically heterogeneous, with peak multiplicity detected in each sample and distinct fingerprints observed across fungal species. Fungal chitin exhibits partial similarity to the model structures of α- and γ-allomorphs; therefore, chitin structure is not significantly affected by interactions with other cell wall components. Addition of antifungal drugs and salts did not significantly perturb the chemical shifts, revealing the structural resistance of chitin to external stress. In addition, the structure of the deacetylated form, chitosan, was found to resemble a relaxed two-fold helix conformation. This study provides high-resolution information on the structure of chitin and chitosan in their cellular contexts. The method is applicable to the analysis of other complex carbohydrates and polymer composites.

59 BASIC BIOLOGICAL SCIENCES↗

Impact of Oxygen Storage Components in Prototype Pd-Based Three-Way Catalysts under Exhaust Conditions Relevant to Propane Engines

With increasing concerns about global warming, the push for sustainable and eco-friendly fuels is accelerating. Propane, recognized as liquefied petroleum gas or LPG, has garnered research interest as an alternative fuel due to its notable advantages, including a high-octane rating, reduced greenhouse gas emissions, and potential cost-effectiveness. However, to realize its full potential as an alternative fuel it is essential to develop catalysts that efficiently handle emissions at low temperatures. In our research, we investigated three distinct palladium (Pd)-based three-way catalyst (TWC) formulations (PdRh, Pd-only, and Pd-OSC) to investigate the influence of typical TWC components rhodium (Rh) and oxygen storage components (OSC) in exhaust scenarios relevant to propane-fueled engines. Among these, the formulation containing oxygen storage components (Pd-OSC) showed the highest reactivity for both NO and C 3 H 8 while minimizing performance degradation from hydrothermal aging (HTA). Notably, the temperature of 50% conversion (T50) for propane in the Pd-OSC fresh and HTA sample was lower by 30 °C and 13 °C, respectively, compared to the Pd-only sample, highlighting the role of oxygen storage materials in enhancing catalyst performance, even without dithering. Additionally, N 2 physisorption showed that the PdOSC sample has a higher surface area and increased pore volume. This underscores the idea that OSC materials not only augment the catalyst’s porosity but also optimize reactant accessibility to active sites, thus elevating catalytic efficiency. In addition to evaluating performance, we further explored the performance and characteristics of the catalysts using catalytic probe reactions, such as water–gas shift and steam reforming reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrical Components for Marine Renewable Energy Arrays: A Techno-Economic Review

This paper presents a review of the main electrical components that are expected to be present in marine renewable energy arrays. The review is put in context by appraising the current needs of the industry and identifying the key components required in both device and array-scale developments. For each component, electrical, mechanical and cost considerations are discussed; with quantitative data collected during the review made freely available for use by the community via an open access online repository. Here, this data collection updates previous research and addresses gaps specific to emerging offshore technologies, such as marine and floating wind, and provides a comprehensive resource for the techno-economic assessment of offshore energy arrays.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Optimization of Component Sizing for a Fuel Cell-Powered Truck to Minimize Ownership Cost

In this study, we consider fuel cell-powered electric trucks (FCETs) as an alternative to conventional medium- and heavy-duty vehicles. FCETs use a battery combined with onboard hydrogen storage for energy storage. The additional battery provides regenerative braking and better fuel economy, but it will also increase the initial cost of the vehicle. Heavier reliance on stored hydrogen might be cheaper initially, but operational costs will be higher because hydrogen is more expensive than electricity. Achieving the right tradeoff between these power and energy choices is necessary to reduce the ownership cost of the vehicle. This paper develops an optimum component sizing algorithm for FCETs. The truck vehicle model was developed in Autonomie, a platform for modelling vehicle energy consumption and performance. The algorithm optimizes component sizes to minimize overall ownership cost, while ensuring that the FCET matches or exceeds the performance and cargo capacity of a conventional vehicle. Class 4 delivery truck and class 8 linehaul trucks are shown as examples. We estimate the ownership cost for various hydrogen costs, powertrain components, ownership periods, and annual vehicle miles travelled.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Principal Components Analysis of a JWST NIRSpec Detector Subsystem

We present principal component analysis (PCA) of a flight-representative James Webb Space Telescope NearInfrared Spectrograph (NIRSpec) Detector Subsystem. Although our results are specific to NIRSpec and its T - 40 K SIDECAR ASICs and 5 m cutoff H2RG detector arrays, the underlying technical approach is more general. We describe how we measured the systems response to small environmental perturbations by modulating a set of bias voltages and temperature. We used this information to compute the systems principal noise components. Together with information from the astronomical scene, we show how the zeroth principal component can be used to calibrate out the effects of small thermal and electrical instabilities to produce cosmetically cleaner images with significantly less correlated noise. Alternatively, if one were designing a new instrument, one could use a similar PCA approach to inform a set of environmental requirements (temperature stability, electrical stability, etc.) that enabled the planned instrument to meet performance requirements

Analysis↗

Certifying Acoustic Emission for the Crack Inspection of Integrated Pressure Components

To address the limitations of other nondestructive evaluation (NDE) methods on integrated components due to access constraints, a novel Acoustic Emission (AE) pressure vessel health test was developed in accordance with ASME BPVC.V Article 12. This test was then validated using notched Ti-6Al-4V panels taken to a stress level equivalent to 1.1 times the Maximum Allowable Working Pressure (MAWP) of a flight pressure vessel. The assessment involved utilizing JSC small sample Probability of Detection (POD) calculations, which represents the initial step towards obtaining flight certification for an NDE technique. A robust filtering technique that specifically identifies crack growth was formulated with the assistance of industry partners. This detection method exhibited superior detection ability compared to other NDE methods or microscopy. Within industry, the presence of a group of triangulated energetic crack-like indications typically leads to supplemental inspection or the failure of a tank. The experimental results confirm that this approach, commonly applied to more robust tanks, can be viably extended to integrated aerospace pressure components in scenarios where components can be subjected to pressures up to 1.1 times the MAWP. The testing process encountered delays due to sensor delivery and panel fabrication. Thus far, samples with crack initiators have shown energy levels 10 times higher than blunted controls. This suggests a trend where high individual and total cluster energy could be employed as acceptance criteria. Moreover, the cumulative energy of clusters might serve as a foundation for estimating crack sizes; however, this aspect requires further assessment and localized supplemental inspections are preferred.

certifying↗

Prognostics Health Management for Advanced Small Modular Reactor Passive Components

In the United States, sustainable nuclear power to promote energy security is a key national energy priority. Advanced small modular reactors (AdvSMR), which are based on modularization of advanced reactor concepts using non-light-water reactor (LWR) coolants such as liquid metal, helium, or liquid salt may provide a longer-term alternative to more conventional LWR-based concepts. The economics of AdvSMRs will be impacted by the reduced economy-of-scale savings when compared to traditional LWRs and the controllable day-to-day costs of AdvSMRs are expected to be dominated by operations and maintenance costs. Therefore, achieving the full benefits of AdvSMR deployment requires a new paradigm for plant design and management. In this context, prognostic health management of passive components in AdvSMRs can play a key role in enabling the economic deployment of AdvSMRs. In this paper, the background of AdvSMRs is discussed from which requirements for PHM systems are derived. The particle filter technique is proposed as a prognostics framework for AdvSMR passive components and the suitability of the particle filter technique is illustrated by using it to forecast thermal creep degradation using a physics-of-failure model and based on a combination of types of measurements conceived for passive AdvSMR components.

passive components↗

Low-temperature swelling in LWR internal components: a computational assessment

A modern cluster dynamics model has been used to investigate the materials and irradiation parameters that control microstructural evolution under the relatively low-temperature exposure conditions that are representative of the operating environment for in-core light water reactor components. The focus is on components fabricated from austenitic stainless steel. The model accounts for the synergistic interaction between radiation-produced vacancies and the helium that is produced by nuclear transmutation reactions. Cavity nucleation rates are shown to be relatively high in this temperature regime (275 to 325 °C), but are sensitive to assumptions about the fine-scale microstructure produced under low-temperature irradiation. The cavity nucleation rates observed run counter to the expectation that void swelling would not occur under these conditions. This expectation was based on previous research on void swelling in austenitic steels in fast reactors. This misleading impression arose primarily from an absence of relevant data. The results of the computational modeling are generally consistent with recent data obtained by examining ex-service components. The long-term objective of this research is to provide a predictive model of void swelling at relevant lifetime exposures to support extended reactor operations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

ASME – Grappling with the Concept of Component Failure

ASME concepts of component failure. Definition for failure, functionality, damage tolerance, including Magnox reactors and AGRs. How ASME is addressing damage tolerance, and Section III division 5 Design, Classification, Reliability Target for SRC-1 components, Basic analysis approach, simple assessment, and full assessments, Reference to reliability and integrity management and strategy for graphite components.

36 MATERIALS SCIENCE↗

Spatiotemporal Patterns of Precipitation-Modulated Landslide Deformation From Independent Component Analysis of InSAR Time Series

We present that long-term landslide deformation is disruptive and costly in urbanized environments. We rely on TerraSAR-X satellite images (2009–2014) and an improved data processing algorithm (SqueeSAR™) to produce an exceptionally dense Interferometric Synthetic Aperture Radar ground deformation time series for the San Francisco East Bay Hills. Independent and principal component analyses of the time series reveal four distinct spatial and temporal surface deformation patterns in the area around Blakemont landslide, which we relate to different geomechanical processes. Two components of time-dependent landslide deformation isolate continuous motion and motion driven by precipitation-modulated pore pressure changes controlled by annual seasonal cycles and multiyear drought conditions. Two components capturing more widespread seasonal deformation separate precipitation-modulated soil swelling from annual cycles that may be related to groundwater level changes and thermal expansion of buildings. Lastly, high-resolution characterization of landslide response to precipitation is a first step toward improved hazard forecasting.

54 ENVIRONMENTAL SCIENCES↗

On the applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells

The applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells (SOFC) is investigated by measuring the failure rate of Ni-YSZ when subjected to a temperature gradient and comparing it with that predicted using the Ceramics Analysis and Reliability Evaluation of Structures (CARES) code. The use of a temperature gradient to induce stresses was chosen because temperature gradients resulting from gas flow patterns generate stresses during SOFC operation that are the likely to control the structural reliability of cell components The magnitude of the predicted failure rate was found to be comparable to that determined experimentally, which suggests that such probabilistic analyses are appropriate for predicting the structural reliability of materials and components for SOFCs. Considerations for performing more comprehensive studies are discussed.

Lara-Curzio, Edgar↗

Optically Induced Picosecond Lattice Compression in the Dielectric Component of a Strongly Coupled Ferroelectric/Dielectric Superlattice

Above-bandgap femtosecond optical excitation of a ferroelectric/dielectric BaTiO 3 /CaTiO 3 superlattice leads to structural responses that are a consequence of the screening of the strong electrostatic coupling between the component layers. Time-resolved X-ray free-electron laser diffraction shows that the structural response to optical excitation includes a net lattice expansion of the superlattice consistent with depolarization-field screening driven by the photoexcited charge carriers. The depolarization-field-screening-driven expansion is separate from a photoacoustic pulse launched from the bottom electrode on which the superlattice is epitaxially grown. The distribution of diffracted intensity of superlattice X-ray reflections indicates that the depolarization-field-screening-induced strain includes a photoinduced expansion in the ferroelectric BaTiO 3 and a contraction in CaTiO 3 . The magnitude of expansion in BaTiO 3 layers is larger than the contraction in CaTiO 3 . The difference in the magnitude of depolarization-field-screening-driven strain in the BaTiO 3 and CaTiO 3 components can arise from the contribution of the oxygen octahedral rotation patterns at the BaTiO 3 /CaTiO 3 interfaces to the polarization of CaTiO 3 . The depolarization-field-screening-driven polarization reduction in the CaTiO 3 layers points to a new direction for the manipulation of polarization in the component layers of a strongly coupled ferroelectric/dielectric superlattice.

36 MATERIALS SCIENCE↗

In‐memory integration of existing software components for parallel adaptive unstructured mesh workflows

Summary Reliable mesh‐based simulations are needed to solve complex engineering problems. Mesh adaptivity can increase reliability by reducing discretization errors but requires multiple software components to exchange information. Often, components exchange information by reading and writing a common file format. This file‐based approach becomes a problem on massively parallel computers where filesystem bandwidth is a critical performance bottleneck. Our approach using data streams and component interfaces avoids the filesystem bottleneck. In this paper, we present these techniques and their use for coupling mesh adaptivity to the PHASTA computational fluid dynamics solver, the Albany multi‐physics framework, and the Omega3P linear accelerator frequency analysis applications. Performance results are reported on up to 16,384 cores of an Intel Knights Landing‐based system.

Smith, Cameron W.↗

A moving morphable component‐based topology optimization approach considering transient structural dynamic responses

Abstract A novel approach is developed under the moving morphable component (MMC) framework to solve topology optimization problems considering transient structural dynamic responses, where the structure for optimization is constructed with a collection of structural components, and the structural layout can be described explicitly via only a small number of design variables characterizing the positions and geometries of the components. The transient dynamic response of the structure and corresponding sensitivities are computed via step‐by‐step numerical integration and mode reduction technique is also employed to enhance the computational efficiency. Compared with existing works, the numerical instabilities induced by localized vibration modes can be substantially alleviated and the computational effort for direct sensitivity analysis is significantly reduced in the proposed approach. Two and three‐dimensional numerical examples considering the cases of nonproportional damping mechanism and time‐varying mass are also provided to manifest the validity of the proposed approach.

Li, Jialin↗

Coconut oil derived five‐component synthetic oviposition deterrent for oriental fruit fly, Bactrocera dorsalis

Abstract BACKGROUND Bactrocera dorsalis, oriental fruit fly (OFF), is one of the most destructive agricultural pests. Although bait sprays can effectively control OFF,resistance development has been a concern. We evaluated the oviposition deterrent activity of coconut free fatty acids (CFFA), a mixture of eight coconut oil‐derived fatty acids known to repel hematophagous insects and deter their feeding and oviposition, against OFF females. RESULTS In laboratory 72‐h two‐choice assays using guava‐juice infused‐agar as an oviposition substrate, CFFA deterred OFF oviposition in a dose‐dependent manner with the greatest reduction of 87% at 20 mg dose compared to the control. When the eight CFFA components were tested individually, four compounds (caprylic, capric, oleic, and linoleic acids) significantly reduced OFF oviposition (‘negative‐compounds’), two (lauric and myristic acids) had no effect (‘neutral‐compounds’), and two (palmitic and stearic acids) stimulated OFF oviposition (‘positive‐compounds’). In two‐choice tests, the ‘negative‐compounds’ blend failed to elicit the same level of oviposition reduction as CFFA at equivalent concentrations found in CFFA. Adding the two ‘neutral‐compounds’ recovered the oviposition deterrence similar to CFFA. Subsequent subtraction tests showed that four ‘negative‐compounds’ plus lauric acid was as effective as CFFA in reducing OFF oviposition in guava‐juice agar. This five‐component key‐deterrent blend also reduced OFF oviposition by 95 and 72% on papaya and tomato fruit, respectively. CONCLUSION CFFA acts as an oviposition deterrent for OFF. Given that CFFA compounds are generally regarded as safe for humans and the environment, CFFA and its bioactive components have potential use in behavioral control strategies against OFF. © 2023 Society of Chemical Industry. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.

Agriculture↗

Nonlinear Logistic Regression Mixture Experiment Modeling for Binary Data Using Dimensionally Reduced Components

This article presents and illustrates an approach using nonlinear logistic regression for modeling binary response data from a mixture experiment when the components can be partitioned into groups used to form dimensionally-reduced pseudocomponents (DRPs). A DRP is a linear combination of the components in a group, where the linear combinations over all groups are normalized so that the DRP proportions sum to unity. Nonlinear logistic regression is required because, after normalization of the linear combinations, the model expressed in terms of the DRPs is nonlinear in the parameters that specify the linear combinations. A method for obtaining nonparametric tolerance limits on the probability of a “success” for the binary response variable using a bootstrap approach is also presented. Having three DRPs enables viewing data and modeling results on a ternary plot even though there may be many more than three mixture components. A real database, involving whether or not nepheline crystals form in simulated nuclear waste glass after cooling, is used to illustrate the nonlinear logistic regression modeling and nonparametric tolerance limit approaches when there are three DRPs.

Waste glass, Nepheline, Mixture experiment, Logist↗

Evaluation of Additively Manufactured Materials for Nuclear Plant Components

Powder bed fusion Direct Metal Laser Melting (DMLM) is an evolving additive manufacturing (AM) fabrication technology that is providing high performance parts to many industries. This technology has significant promise for use in building components for nuclear power plants. Implementation of materials produced using this and similar processes offer a potential step change in efficiency for complex parts production and hence a potential for innovative design as well as cost savings for components in the future. Properties of AM Type 316L have been reported in previous work, showing properties that match wrought properties. The fine grain structure may even lead to better environmental resistance. However, there is a need to confirm the behavior of these innovative materials after exposure to radiation if this innovative technology is to be used in current and future nuclear applications. This paper discusses new efforts being explored via a joint program between GE Hitachi (GEH) and INL (Idaho National laboratory) aimed at developing corresponding un-irradiated and irradiated data for AM materials. This paper will present data for both Type 316L stainless steel, a single-phase alloy, and Ni-base Alloy 718, a precipitation hardened alloy, manufactured using AM. This paper, serving as a progress report, will present the mechanical property and microstructural data for both Type 316L and 718 AM alloys to assess their correspondence to wrought alloy data and establish a baseline for future comparison to irradiated properties. The paper will end by discussing the requirements for using these and other additively manufactured materials in future reactor component applications where irradiated data is not available.

316 Stainless Steel↗

Build optimization of fiber-reinforced additively manufactured components

Additive manufacturing (AM) is enabling the fabrication of artifacts with unprecedented geometric and material complexity. The focus of this paper is on the build the optimization of short fiber reinforced polymers (SFRP) AM components. Specifically, we consider optimization of the build direction, topology, and fiber orientation of SFRP components. All three factors have a significant impact on the functional performance of the printed part. While significant progress has been made on optimizing these independently, the objective of this paper is to consider all three factors simultaneously and explore their interdependency, within the context of thermal applications. Towards this end, the underlying design parameters are identified, appropriate sensitivity equations are derived, and a formal optimization problem is posed as an extension to the popular Solid Isotropic Material with Penalization (SIMP). Results from several numerical experiments are presented, highlighting the impact of build direction, topology, and fiber orientation on the performance of SFRP components.

42 ENGINEERING↗