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At least 1,027 records · Page 57

Microscopic Measurement: Need for Nuclear Material Sample Specimen Characterization Capability

The Surveillance, Fabrication, and Off-Site Operations team at Lawrence Livermore National Laboratory is beginning an update to the nuclear material machining lab in Superblock. Plutonium and other nuclear materials tend to accelerate the aging process for equipment and machines that would otherwise be maintainable for long lives. They have their lifespans shortened from deteriorated seals, embrittled polymer components, accelerated corrosion, and damage to electronics from exposure to radioactive materials. The cost of installation of equipment into a glove box (GB) tends to outstrip the cost of the equipment itself. Due to the magnification of cost, the historical approach to equipment installs has been to purchase and install the highest-quality and most robust equipment available to maximize time between failures and updates. To make room for the installation of a new lathe, the inspection GB is being moved to a different location within the machining lab. As part of the overall effort, the equipment within the inspection GB is being revisited. Current measurement capabilities are antiquated and starting to become problematic due to age. Advances in metrology are sought for more comprehensive characterization of scientific samples. This document aims to identify several options for the replacement of current measurement equipment and identify a system for purchase and eventual installation. The intention is not to select the cheapest system, but rather to identify a system that best meets the needs of both the operators and principal investigators (PI). Following the convention of the SYSM-5620 Design Thinking and System Engineering, it was determined that a laser confocal measurement system from Keyence is the most suitable option for our programmatic need. Form factor, capability, and maintainability were considered. Along with stakeholder input, to ensure the best decision for the Nuclear Material Technology Program.

36 MATERIALS SCIENCE↗

Applicability of a Crack-Detection System for Use in Rotor Disk Spin Test Experiments Being Evaluated

Engine makers and aviation safety government institutions continue to have a strong interest in monitoring the health of rotating components in aircraft engines to improve safety and to lower maintenance costs. To prevent catastrophic failure (burst) of the engine, they use nondestructive evaluation (NDE) and major overhauls for periodic inspections to discover any cracks that might have formed. The lowest cost fluorescent penetrant inspection NDE technique can fail to disclose cracks that are tightly closed during rest or that are below the surface. The NDE eddy current system is more effective at detecting both crack types, but it requires careful setup and operation and only a small portion of the disk can be practically inspected. So that sensor systems can sustain normal function in a severe environment, health-monitoring systems require the sensor system to transmit a signal if a crack detected in the component is above a predetermined length (but below the length that would lead to failure) and lastly to act neutrally upon the overall performance of the engine system and not interfere with engine maintenance operations. Therefore, more reliable diagnostic tools and high-level techniques for detecting damage and monitoring the health of rotating components are very essential in maintaining engine safety and reliability and in assessing life.

Abdul-Aziz, Ali↗

A novel improved model for building energy consumption prediction based on model integration

Building energy consumption prediction plays an irreplaceable role in energy planning, management, and conservation. Constantly improving the performance of prediction models is the key to ensuring the efficient operation of energy systems. Moreover, accuracy is no longer the only factor in revealing model performance, it is more important to evaluate the model from multiple perspectives, considering the characteristics of engineering applications. Based on the idea of model integration, this paper proposes a novel improved integration model (stacking model) that can be used to forecast building energy consumption. The stacking model combines advantages of various base prediction algorithms and forms them into “meta-features” to ensure that the final model can observe datasets from different spatial and structural angles. Two cases are used to demonstrate practical engineering applications of the stacking model. A comparative analysis is performed to evaluate the prediction performance of the stacking model in contrast with existing well-known prediction models including Random Forest, Gradient Boosted Decision Tree, Extreme Gradient Boosting, Support Vector Machine, and K-Nearest Neighbor. The results indicate that the stacking method achieves better performance than other models, regarding accuracy (improvement of 9.5%–31.6% for Case A and 16.2%–49.4% for Case B), generalization (improvement of 6.7%–29.5% for Case A and 7.1%-34.6% for Case B), and robustness (improvement of 1.5%–34.1% for Case A and 1.8%–19.3% for Case B). The proposed model enriches the diversity of algorithm libraries of empirical models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Control over emergence and alignment of transient blisters in thermo-responsive gels using hierarchically patterned substrates

Surfaces with tunable microscale textures are vital in a large variety of technological applications, including heat transfer, antifouling and adhesion. To facilitate such broad-scale use, there is a need to create surfaces that undergo reconfigurable changes in topology and thus, enable switchable functionality. To date, there is a relative dearth of methods for engineering surfaces that can be actuated to change topography over a range of length scales, and hence, form tunable hierarchically structured layers. Combining modeling and experiments, we design a geometrically patterned, thermo-responsive poly (N-isopropylacrylamide) gel film that undergoes controllable hierarchical changes in topology with changes in temperature. At the bottom, the film is covalently bound to a solid, curved substrate; at the top, the film encompasses longitudinal rectangular ridges that are oriented perpendicular to the underlying cylindrical curves. At temperatures below lower critical solution temperature (LCST), the swollen gel exhibits 3D variations in polymer density and thickness defined by the gel's top and bottom topography. As the temperature rises above LCST, the interplay between the upper ridges and lower curves in the gel drives non-uniform, directional solvent transport, the nucleation and propagation of a phase-separated higher-density skin layer, and the resulting pressure buildup within the film. These different, interacting kinetic processes lead to an instability, which produces transient microscopic blisters in the film. Through simulations, we show how tuning the width of the ridges modifies the propagation of a skin layer and creates localized pressure build-up points, which enables control over the emergence, distribution, and alignment of the microscopic blisters. Futhermore, we provide a simple argument to predict the size of such microscopic features. Experiments confirm our predictions and further highlight how our computational model enables the rational design of topographical transitions in these tunable films. The development of actuatable, hierarchically structured films provides new routes for achieving switchable functionality in actuators, drug release systems and adhesives.

42 ENGINEERING↗

A mathematical model for jet engine combustor pollutant emissions

Mathematical modeling for the description of the origin and disposition of combustion-generated pollutants in gas turbines is presented. A unified model in modular form is proposed which includes kinetics, recirculation, turbulent mixing, multiphase flow effects, swirl and secondary air injection. Subelements of the overall model were applied to data relevant to laboratory reactors and practical combustor configurations. Comparisons between the theory and available data show excellent agreement for basic CO/H2/Air chemical systems. For hydrocarbons the trends are predicted well including higher-than-equilibrium NO levels within the fuel rich regime. Although the need for improved accuracy in fuel rich combustion is indicated, comparisons with actual jet engine data in terms of the effect of combustor-inlet temperature is excellent. In addition, excellent agreement with data is obtained regarding reduced NO emissions with water droplet and steam injection.

Boccio, J. L.↗

MassIVE MSV000085948 - Utilization of syringyl lignin-derived compounds and production of 2-pyrone-4,6-dicarboxylic acid by Pseudomonas putida KT2440: Lignin is an abundant aromatic polymer formed in plants by coupling reactions of p-coumaryl, coniferyl, and sinapyl alcohols. Pseudomonas putida KT2440 (P. putida KT2440), a robust soil bacterium, naturally catabolizes many aromatic compounds derived from lignin as carbon and energy sources and has been extensively engineered to valorize guaiacyl (G) and p-hydroxyphenyl (H) lignin-derived aromatic species to valuable chemicals. However, only a few studies report the capacity of Pseudomonads to grow on syringyl (S) lignin-derived compounds. In this work, we demonstrate that P. putida KT2440 catabolizes syringate in the presence of an auxiliary energy source. Overexpression of vanAB, encoding a native Rieske non-heme iron monooxygenase, enabled catabolism of syringate and syringaldehyde without an additional carbon and energy source. In vitro biochemical characterization of VanAB confirmed that this enzyme O-demethylates syringate to 3-O-methylgallate and, subsequently, 3-O-methylgallate to gallate, albeit 4- and 55-fold less efficiently than vanillate, respectively. Transcriptomics and proteomics experiments demonstrate that the galADBC transcripts and enzymes required for gallate catabolism are induced when vanAB is overexpressed during cultivation in syringate. Further, we show that that the endogenous protocatechuate-3,4-dioxygenase PcaHG ring-opens gallate to produce 2-pyrone-4,6-dicarboxylic acid (PDC), a promising bio-based chemical. Constitutive overexpression of vanAB and pcaHG along with galA deletion enabled PDC production from SA at a 70% (mol/mol) yield. Furthermore, leveraging the LigAB dioxygenase from Sphingobium sp. SYK-6 and VanAB O-demethylase from Pseudomonas sp. HR199 enabled simultaneous conversion of monomers with S-, G-, and H-type functionality to PDC at 82% (mol/mol) yield. Overall, this study elucidates a native pathway for catabolism of syringyl lignin-derived compounds in P. putida KT2440 and demonstrates the potential of this robust host for biological funneling of substrates derived from all three canonical monolignols.

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Beckham, Gregg↗

Van der Waals heterostructures

The integration of dissimilar materials into heterostructures has become a powerful tool for engineering interfaces and electronic structure. The advent of two-dimensional (2D) materials brought unprecedented opportunities for novel heterostructures in the form of van der Waals stacks, laterally stitched 2D layers, and more complex layered and 3D architectures. This Primer provides an overview of state-of-the-art methodologies for producing such van der Waals heterostructures, focusing on the two fundamentally different strategies, top-down deterministic assembly and bottom-up synthesis. For both approaches, successful techniques, advantages, and limitations are discussed. As important as the fabrication itself is the characterization of the resulting engineered materials, for which a range of analysis techniques covering structure, composition, and emerging functionality are highlighted. Examples of the properties of artificial van der Waals structures include optoelectronics and plasmonics, twistronics, and unique functionality arising from the generalization of van der Waals assembly from 2D- to 3D-crystalline components. Lastly, current issues of reproducibility, limitations, and opportunities for future breakthroughs in terms of enhanced homogeneity, interfacial purity, feature control, and ultimately orders of magnitude increased complexity of van der Waals heterostructures are discussed.

36 MATERIALS SCIENCE↗

Sulfur Oxidation and Contrail Precursor Chemistry

Sulfuric acid (H2SO4), formed in commercial aircraft operations via fuel-S (goes to) SO2 (goes to) SO3 (goes to) H2SO4 plays an important role in the formation of contrails. It is believed that the first step occurs inside the combustor, the second step in the engine exit nozzle, and the third step in the exhaust plume. Thus, measurements of the sulfur oxidation rates are critical to the understanding of contrail formation. Field measurements of contrails formed behind commercial aircraft indicate that significantly greater conversion of fuel-bound sulfur to sulfate aerosol occurs than can be explained by our current knowledge of contrail physics and chemistry. The conversion of sulfur from S(IV) to S(VI) oxidation state, required for sulfate aerosol formation, is thermodynamically favored for the conditions that exist within jet engines but is kinetically disfavored. The principal reaction pathway is O+SO2+M (goes to) SO3+M. The rates of this reaction have never been measured in the temperature and pressure regimes available to aircraft operation. In the first year (FY02) of this project, we performed a series of experiments to elucidate the rate information for the O+SO2+M (goes to) SO3+M reaction. The work performed is described following the proposed work plan. Because we used the H2/O2 system for an O-atom source and rate coefficients were obtained via computer simulation, construction of a reaction mechanism and either recalculation or estimation of thermodynamic properties of H(x)SO(y) species are described first.

DeWitt, Kenneth J.↗

Shocked Transport: Experiments to Study Dynamic Particle Behavior under Varying Volume Fraction Conditions

Shocks interacting with densely-packed porous media is common in volcanic eruptions or in engineering applications such as ordinance. Large-scale, exploratory experiments have been performed by Frost and collaborators examining the behavior of a bed of particles subjected to a detonation wave. The detonation replaces the central explosive with a high-density, high-temperature gas that propagates outward. A shock wave travels through the particle bed, followed by a contact discontinuity between the shocked air and the explosive products. In the early times, the detonation wave causes many of the particles to collide and compact with each other. As the particles disperse, the experiments demonstrate a series of large-scale jets or fingers that form in the advancing particle front.

42 ENGINEERING↗

Advanced Gas Turbine (AGT) Technology Development Project, ceramic component developments

The ceramic component technology development activity conducted by Standard Oil Engineered Materials Company while performing as a principal subcontractor to the Garrett Auxiliary Power Division for the Advanced Gas Turbine (AGT) Technology Development Project (NASA Contract DEN3-167) is summarized. The report covers the period October 1979 through July 1987, and includes information concerning ceramic technology work categorized as common and unique. The former pertains to ceramic development applicable to two parallel AGT projects established by NASA contracts DEN3-168 (AGT100) and DEN3-167 (AGT101), whereas the unique work solely pertains to Garrett directed activity under the latter contract. The AGT101 Technology Development Project is sponsored by DOE and administered by NASA-Lewis. Standard Oil directed its efforts toward the development of ceramic materials in the silicon-carbide family. Various shape forming and fabrication methods, and nondestructive evaluation techniques were explored to produce the static structural components for the ceramic engine. This permitted engine testing to proceed without program slippage.

Teneyck, M. O.↗

Supercritical, liquid, and gas CO 2 reactive transport and carbonate formation in portland cement mortar

In this paper, we investigate carbonate formation and reactive transport rate in variably saturated portland cement mortars when high concentrations of gas, liquid, or supercritical CO 2 flow through their pore network. Xray computed tomography completed during CO 2 flow is used to quantify the microstructural evolution as the mortar carbonates. After in situ tests, higher resolution scans, thermogravimetric analysis, and desorption isotherm analysis are performed to further quantify microstructural changes. We found that at dry conditions supercritical CO 2 moves more rapidly through the pore space and precipitates more carbonates than liquid or gas CO 2 . However, at 50% degree of saturation (DOS) the CO 2 state did not affect the rate of transport in that each specimen exposed to a different CO 2 state carbonated within the first hour of CO 2 exposure. When the pore space is at 50 or 100% DOS, supercritical CO 2 did not react with hydration products more rapidly nor did it result in more carbonate formation during exposure compared to gas or liquid CO 2 . The amount of Ca(OH) 2 that contributes to CaCO 3 formation is correlated to the DOS. For the mortar composition analyzed, Ca(OH) 2 contributes to approximately 40% of the carbonates formed in the 50% DOS specimens and 15% in the 100% DOS specimens. In other words, as the amount of moisture in the pore space increases, phases other than Ca(OH) 2 contribute to more than 50% of the total CaCO 3 formed.

42 ENGINEERING↗

Freezing water at constant volume and under confinement

Water expands upon freezing. What happens when water is cooled below 0 °C in an undeformable, constant-volume container? This is a fundamental question in materials thermodynamics, and is also relevant in biological, geological, and technological applications in which ice forms under nano-, meso-, or macroscale confinement. Here, we analyze the phase-equilibria and kinetic behaviors of water and ice-1h in an isochoric (constant-volume) system. By making use of the Helmholtz potential F (temperature, volume), in contrast to the Gibbs potential G (temperature, pressure), we demonstrate significant changes in phase behavior when the specific volume of the container is constrained below that of ice-1h. We construct a T–V (temperature–volume) phase diagram for water and ice that features a broad two-phase equilibrium region, and we further derive an isochoric nucleation theory that reveals the existence of a critical confinement volume, on the order of microns, below which ice-1h is kinetically prohibited from forming.

42 ENGINEERING↗

Energy-state formulation of lumped volume dynamic equations with application to a simplified free piston Stirling engine

Lumped volume dynamic equations are derived using an energy state formulation. This technique requires that kinetic and potential energy state functions be written for the physical system being investigated. To account for losses in the system, a Rayleigh dissipation function is formed. Using these functions, a Lagrangian is formed and using Lagrange's equation, the equations of motion for the system are derived. The results of the application of this technique to a lumped volume are used to derive a model for the free piston Stirling engine. The model was simplified and programmed on an analog computer. Results are given comparing the model response with experimental data.

Daniele, C. J.↗

Towards chloroplastic nanofactories: formation of proteinaceous scaffolds for metabolic engineering

The evolution of eukaryotic lipid-bound organelles allows for specialized metabolism to occur within spatially distinct metabolic landscapes within the same cell. However, this strategy of compartmentalization is not unique to eukaryotic organisms. Many bacteria, spread across 45 different phyla, contain loci that encode for specialized bacterial microcompartments (BMCs) (Sutter et al., 2021). The formation of a BMC involves self-assembly from three families of shell proteins to form the outer shell membrane, in addition to the encapsulation of an enzymatic core packaged within the lumen of a BMC (Kerfeld et al., 2018). These proteinaceous organelles provide a competitive growth advantage by enabling organisms to process inaccessible substrates by sequestering metabolic intermediates (i.e. aldehydes) that would otherwise be toxic within the cytoplasm. While BMCs perform specific metabolic functions in their native organism, synthetic, empty BMC shells can form without the requirement of native cargo inside (Doron and Kerfeld, 2024). This provides a transferable and tunable platform of protein scaffolding for guiding metabolic engineering within a host organism of choice (Raba and Kerfeld, 2022).

59 BASIC BIOLOGICAL SCIENCES↗

An Investigation of the Icing and Heated-air De-icing Characteristics of the R-2600-13 Induction System

A laboratory investigation was made on a Holley 1685-HB carburetor mounted on an R-2600-13 supercharger assembly to determine the icing characteristics and the heated-air de-icing requirements of this portion of the B-25D airplane induction system. Icing has been found to be most prevalent at relatively small throttle openings and, consequently, all runs were made at simulated 60-percent normal rated power condition. Icing characteristics were determined during a series of 15-minute runs over a range of inlet-air conditions. For the de-icing investigation severe impact ice was allowed to form in the induction system and the time required for the recovery of 95 percent of the maximum possible air flow at the original throttle setting was then determined for a range of wet-bulb temperatures. Results of these runs showed that ice on the walls of the carburetor adapter and on the rim of the impeller-shroud portion of the supercharger diffuser plate did not affect engine operation at 60-percent normal rated power. Ice that adversely affected the air flow and the fuel-air ratio was formed only on the central web of the carburetor and then only when the inlet air was saturated or contained free moisture in excess of saturation. No serious ice formations were observed at inlet-air temperatures above 66 0 F or with an inlet-air enthalpy greater than 34 Btu per pound. The maximum temperature at. which any trace of icing could be detected was 1110 F with a relative humidity of approximately 28 percent, The air-flow recovery time for emergency de-icing was 0.3 minute for.an enthalpy of 35 Btu per pound or wet-bulb temperature of 68 0 F. Further increase in enthalpy and wet-bulb temperature above these values resulted in very slight improvement in recovery time. The fuel-air ratio restored by a 5-Minute application of heated air was approximately 7 percent less than the initial value for cold-air conditions.

Chapman, Gilbert E.↗

The problem of the turbo-compressor

In terminating the study of the adaptation of the engine to the airplane, we will examine the problem of the turbo-compressor,the first realization of which dates from the war; this will form an addition to the indications already given on supercharging at various altitudes. This subject is of great importance for the application of the turbo-compressor worked by the exhaust gases. As a matter of fact, a compressor increasing the pressure in the admission manifold may be controlled by the engine shaft by means of multiplication gear or by a turbine operated by the exhaust gas. Assuming that the increase of pressure in the admission manifold is the same in both cases, the pressure in the exhaust manifold would be greater in the case in which the compressor is worked by the exhaust gas and there would result a certain reduction of engine power which we must be able to calculate. On the other hand , if the compressor is controlled by the engine shaft, a certain fraction of the excess power supplied is utilized for the rotation of the compressor. In order to compare the two systems, it is there-fore necessary to determine the value of the reduction of power due to back pressure when the turbine is employed.

Devillers, Rene↗

Engineering Solid Electrolyte Interphase Composition by Assessing Decomposition Pathways of Fluorinated Organic Solvents in Lithium Metal Batteries

Studies have shown fluorinated electrolyte solvents can form desirable solid electrolyte interphase (SEI) in lithium metal batteries. In this study, we develop a detailed mechanistic understanding of two high performing electrolytes, Fluoroethylene Carbonate (FEC) and Difluoroethylene Carbonate (DFEC) to demonstrate minimal structural variations can lead to different decomposition products, and thereby the nature of the SEI. Using density functional theory (DFT) calculations, we find different initial bond-breaking mechanisms between FEC and DFEC. We develop free energy diagrams for the decomposition pathways including both electrochemical and chemical steps. Using the computational Li electrode, we identify the largest limiting potential of 1.77 V for FEC decomposition, associated with the formation of lithium fluoride, lithium oxide and FEC oligomers, and 1.53 V for DFEC, which correspond to the formation of polymerized vinylene carbonate and lithium fluoride. We suggest the formation of oligomers in the case of FEC instead of long polymers may lead to better SEI compactness. We also demonstrate the SEI components of FEC and DFEC are not stable on typical cathode voltage (3.87 V). This study presents a unified electrocatalytic perspective on SEI formation and decomposition.

25 ENERGY STORAGE↗