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At least 937 records · Page 52

Modeling Rate Dependent Volume Change in Porous Electrodes in Lithium-Ion Batteries

Automotive manufacturers are working to improve individual cell, module, and overall pack design by increasing the performance, range, and durability, while reducing cost. One key piece to consider during the design process is the active material volume change, its linkage to the particle, electrode, and cell level volume changes, and the interplay with structural components in the rechargeable energy storage system. As the time from initial design to manufacture of electric vehicles decreases, design work needs to move to the virtual domain; therefore, a need for coupled electrochemical-mechanical models that take into account the active material volume change and the rate dependence of this volume change need to be considered. In this study, we illustrated the applicability of a coupled electrochemical-mechanical battery model considering multiple representative particles to capture experimentally measured rate dependent reversible volume change at the cell level through the use of an electrochemical-mechanical battery model that couples the particle, electrode, and cell level volume changes. By employing this coupled approach, the importance of considering multiple active material particle sizes representative of the distribution is demonstrated. The non-uniformity in utilization between two different size particles as well as the significant spatial non-uniformity in the radial direction of the larger particles is the primary driver of the rate dependent characteristics of the volume change at the electrode and cell level.

Electrochemistry↗

Analyzing photovoltaic module mechanics using composite plate theories and finite element solutions

Deflection and stress calculated from an experimentally validated, high-fidelity finite element model (FEM) of a photovoltaic module experiencing mechanical load was compared to results from a simplified FEM treating the module laminate as a homogenized composite using a rule of mixtures approach, and further compared to analytical calculations treating the module as a Kirchoff-Love flat plate. The goal of this study was to determine the error incurred by analyzing module mechanics with varying levels of simplification, since resolving the aspect ratios of a module is computationally expensive. Homogenized FEMs were found to underpredict peak deflection under a 1.0 kPa load by between 13 and 19% for lower and upper bound application of the rule of mixtures. However, module shape was captured, implying that a useful replication of a resolved model could be achieved with a reduced, calibrated material stiffness. Homogenized stress results captured glass layer tensile stress components to within 46 to 52% at a sample location of interest, though agreement was poor through the remainder of the laminate due to the lack of material resolution. For plate theory, deflection was overpredicted by 45 to 67% for upper and lower bound homogenizations, and frame-adjacent module shapes were not adequately replicated. Stress results mirrored FEM trends but magnitudes were not well correlated to resolved model values. These results support the use of homogenized laminate models for module shape derivation, though resolved models remain necessary for stress analyses. The accuracy of plate theory was found to be inadequate for most applications.

14 SOLAR ENERGY↗

Roles of Carburization and Oxidation on Transition-Metal Catalyzed Surface Reactions

Many industrial chemical transformation processes are based on reactions catalyzed by transition metals. In some cases the nano-size particles used as catalysts are synthesized simultaneously or right before the initiation of the main catalytic reaction. Synthesis treatments involve complex processes such as reductions followed by calcinations in oxygenated environments coupled to the presence of gases used for the main reaction. Synthesis details are crucial because they have important consequences on the catalyst shape, size, and chemical composition, and may also affect the structure and composition of the catalyst support. All these effects may alter the main catalyzed reaction in unexpected ways. This work focuses on the synthesis of the overall catalytic system that includes catalyst and support taking place in parallel with the initial stages of the main catalyzed reaction. Two important processes are characterized: carburization and oxidation of the transition metal catalyst during synthesis or initial stages of the main reaction. The objective is to understand how the coking mechanism coupled to surface oxidation and changes in the substrate influence the dry reforming of methane taken as a model reaction. The approach uses first principles computational methods to investigate the catalyst synthesis and characterization and catalytic reaction mechanisms. These studies are complemented with experimental characterization done by the group of Dr. Renu Sharma at the National Institute of Standards and Technology (unfunded collaborator) using high resolution transmission electron microscopy. Specific goals are to identify the role of the synthesis process on the initial nanocatalyst structure and composition, and to determine how that structure and composition may evolve after being exposed to the reactants atmosphere. These studies facilitate a systematic analysis of conditions where the nanoparticle composition can be optimized regarding activity and stability. Moreover, the fundamental study of catalyst/support interactions yields valuable insights for other catalytic processes and is a first step toward controlled nanocatalyst synthesis.

36 MATERIALS SCIENCE↗

Wireless Instrumented RB Experiment Preliminary Design and Analysis

The ability to deploy new nuclear fuels for current or future reactor concepts requires carefully designed experiments to generate data to support fuel qualification. Ideally these experiments would include state of-the-art sensing to maximize the amount of in situ data that can be collected during operation. Furthermore, advanced reactor systems can take advantage of integrated in-core sensing technologies to maximize fuel utilization, reduce unnecessary conservativism in design margins, and improve operator’s understanding of limiting peaking factors. Before any novel sensing technologies can be readily adopted for nuclear applications, they must first demonstrate acceptable performance in test reactors. This report summarizes the preliminary design and analysis of the most highly instrumented irradiation experiment ever performed in the removable beryllium (RB) positions of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The Wireless Instrumented RB Experiment 2021 (WIRE-21) will test a wide range of sensors including wireless sensors being developed by Westinghouse Electric Company (WEC) that could provide in situ measurements of peak fuel temperatures and fuel rod pressurization due to fission gas release. The ability to wirelessly transmit a signal through the fuel rod’s cladding is critical to improving fuel monitoring capabilities without requiring signal penetrations through the cladding pressure boundary, which would significantly impact fuel fabrication, handling, and operation. Other sensors that will be tested in WIRE-21 include an array of thermocouples, self-powered neutron detectors (SPNDs), and spatially distributed fiber-optic temperature sensors. More generally, WIRE-21 will establish a flexible irradiation vehicle design to allow accelerated, economical testing of advanced sensor technologies while leveraging the extremely high neutron flux that is available in HFIR. This report summarizes the mechanical design for WIRE-21, the experimental test matrix, initial neutronic and thermal design analyses, and the active monitoring and control system enhancements necessary to support testing of advanced sensor technologies. The containment for WIRE-21 is similar to previous RB irradiation vehicles but includes a few modifications, most notably the use of integrated compression seals to pass a larger number of sensor leads through the experiment’s pressure boundary. In addition to the sensor leads, inert gas lines are passed into the experiment to enable active temperature control and the ability to pneumatically actuate a bellows-driven pressure sensor. WIRE-21 is targeting temperatures (300–350°C) and neutron fluence levels (~10 22 n/cm 2 ) relevant to light water reactors (LWRs), but the flexible design of the experiment vehicle allows much higher operating temperatures (>1,100°C). Neutronic calculations determine the neutron flux conditions as well as the nuclear heating within the experiments. These results are used as inputs to detailed thermal finite element calculations, which are required to evaluate the complex, three-dimensional heat transfer that occurs within WEC’s wireless sensor enclosures. Initial results show that the temperatures of the sensors’ enclosures and the metal bellows can be operated near the temperature range of LWR coolants and cladding while simultaneously increasing the temperature of a surrogate fuel material to values in the range of 800–1200°C to simulate centerline fuel temperatures during LWR operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Gear Test Assembly - Experimental Testing and Gear Analysis - FY2022

The Gear Test Assembly (GTA) is an experimental test article built for use in the Mechanisms Engineering Test Loop (METL) at Argonne National Laboratory (ANL). The GTA was the first test article to operate in METL, with the initial experimental campaign beginning in early 2019. A total of four experimental campaigns have been completed to-date, and the fifth is currently underway. This report will discuss the results of the four completed campaigns with gear analysis in the form of over-pin dimensions. Finally, information regarding Experimental Campaign #5 will be discussed. All over-pin measurements of the gears tested in sodium will be available in the Appendix.

42 ENGINEERING↗

On the Nature of Recoater Damage Powder Spreading Mechanics

Laser powder bed fusion (PBF-LB) additive manufacturing gained popularity for the creation of high mix, low volume parts for defense and commercial applications. Parts made via PBF-LB can be difficult to qualify due to their variation in performance, even within the same build. During the build process, regions of the PBF-LB recoater blade could be subject to damage by spatter or superelevation in the powder bed. As a result, the worn recoater can potentially cause spreading defects in the localized topography profile, which could in turn cause porosity or form deviations. These process concerns are not well understood for their criticality and subsequent impact on part quality. This study will investigate the mechanics of recoater damage through two experimental builds. Post-mortem inspection of the failure region will be conducted with laser line profilometry and will help propose a better understanding of the criticality of extreme recoater damage.

In-Situ Monitoring↗

Shear Band Formation in Thin-Film Multilayer Columns Under Compressive Loading: A Mechanistic Study

Micro-pillar compression is a popular experimental technique used for characterizing the mechanical behavior of nano- and micro-laminates. The compressive stress–strain response of the column-shaped thin-film composite can be measured, and the deformation and damage features can be revealed by post-test cross-section microscopy. The development of plastic instability in the form of localized strain concentration (shear bands), leading to eventual failure, is frequently observed. In the present study, a computational approach is used to illustrate the commonality of shear band formation from a continuum standpoint. Systematic finite element analyses are conducted, showing that the strain field tends to become localized once plastic yielding commences. Distinct shear offsets of the layered structure can be revealed from the numerical model, which is similar to those observed in experiments. The actual appearance of shear bands depends on the materials’ constitutive behavior and precise geometries. Post-yield strain hardening reduces the propensity of shear band formation, while strain softening enhances it. Imperfections such as the undulated layer geometry, as well as the frictional characteristics between the specimen and test apparatus, can also influence the shear band morphology and overall stress–strain response.

finite element modeling↗

High-resolution Laboratory Measurements of K-shell X-Ray Line Polarization and Excitation Cross Sections in Helium-like S XV Ions

We report measurements of electron-impact excitation cross sections for the strong K-shell n = 2 → 1 transitions in S xv, using the LLNL EBIT-I electron beam ion trap, two crystal spectrometers, and the EBIT Calorimeter Spectrometer. The cross sections are determined by direct normalization to the well-known cross sections of radiative electron capture, measured simultaneously. Using contemporaneous polarization measurements with the two crystal spectrometers, whose dispersion planes are oriented parallel and perpendicular to the electron beam direction, the polarization of the direct excitation line emission is determined, and in turn the isotropic total cross sections are extracted. We further experimentally investigate various line-formation mechanisms, finding that radiative cascades and collisional inner-shell ionization dominate the degree of linear polarization and total line-emission cross sections of the forbidden line, z.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Erosion, transportation and the nature of the Maria

Lunar Orbiter and Apollo photographs of the moon and laboratory simulations of a surface transportation mechanism are discussed. Studies of shoulders at junctions of old mountains with flat mare surfaces show that the crater density in the shoulder is lower than that in the neighboring ground. The crisscross pattern is very pronounced on the mountain slope, is on the shoulder in a smaller scale, and is absent on the mare surface. It is concluded that the material forming the shoulders came there as a consequence of a surface transportation mechanism, and that the shoulders reached their present configuration later than the final shaping of the mare surface. Seismic signal transmission and mascon distribution data indicate that the filling of mare basins did not occur in a similar manner. An electrostatic mechanism for surface transportation was studied experimentally by bombarding material with electrons. An electric field resulted which was capable of dislodging and moving grains. It was also found that the junction line between different materials remains sharp, and materials do not mix even when the junction line itself moves.

Gold, T.↗

Study of cavitating inducer instabilities

An analytic and experimental investigation into the causes and mechanisms of cavitating inducer instabilities was conducted. Hydrofoil cascade tests were performed, during which cavity sizes were measured. The measured data were used, along with inducer data and potential flow predictions, to refine an analysis for the prediction of inducer blade suction surface cavitation cavity volume. Cavity volume predictions were incorporated into a linearized system model, and instability predictions for an inducer water test loop were generated. Inducer tests were conducted and instability predictions correlated favorably with measured instability data.

Young, W. E.↗

A theory of adhesion at a bimetallic interface - Overlap effects.

A preliminary calculation of the chemical bonding adhesive interaction between metal surfaces is provided. In this first theory the Hohenberg and Kohn formalism is used to give the bimetallic adhesive binding energy versus separation. The close-packed planes of Al, Mg, and Zn are considered. The effect of simple overlap of the metal-vacuum distributions is determined. The importance of registry between contact surfaces is ascertained. A minimum in the binding energy curve is exhibited for all combinations. The theoretical predictions agree with trends in bond strengths taken from available experimental data. An insight into the mechanisms involved in metallic transfer is given. The relationship between adhesive energies, cohesive energies, and surface energies is discussed.

Ferrante, J.↗

A study of the effects of solid phase reactions on the thermal degradation and ballistic properties of solid propellants

The thermal stability of perchlorate composite propellants was studied at 135 and 170 C. The experimental efforts were concentrated on determining the importance of heterogeneous oxidizer-fuel reactions in the thermal degradation process. The experimental approach used to elucidate the mechanisms by which the oxidizer fuel composites thermally degrade was divided into two parts: (1) keeping the fuel constant and varying the nature of the oxidizers, and (2) holding the oxidizer constant and varying the fuel components. The fuel component primarily utilized in the first phase was polyethylene. Oxidizers included KClO4, KClO3, NH4ClO4 and NH4ClO4 doped with materials such as chlorate, phosphate and arsenate. In the second phase the oxidizer used was primarily NH4ClO4 while the fuels included saturated and unsaturated polybutadiene prepolymers and a series of bonding agents. Techniques employed in the current study include thermogravimetric measurements, differential thermal analysis, infrared, mass spectrometry, electron microscopy, and appropriate wet chemical analysis.

Schmidt, W. G.↗

Study of excitation transfer in laser dye mixtures by direct measurement of fluorescence lifetime

By directly measuring the donor fluorescence lifetime as a function of acceptor concentration in the laser dye mixture Rhodamine 6G-Cresyl violet, we found that the Stern-Volmer relation is obeyed, from which the rate of excitation transfer is determined. The experimental results indicate that the dominant mechanism responsible for the efficient excitation transfer is that of resonance transfer due to long range dipole-dipole interaction.

Lin, C.↗

Development and Design Application of Rigidized Surface Insulation Thermal Protection Systems, Volume 1

Materials and design technology of the all-silica LI-900 rigid surface insulation (RSI) thermal protection system (TPS) concept for the shuttle spacecraft is presented. All results of contract development efforts are documented. Engineering design and analysis of RSI strain arrestor plate material selections, sizing, and weight studies are reported. A shuttle prototype test panel was designed, analyzed, fabricated, and delivered. Thermophysical and mechanical properties of LI-900 were experimentally established and reported. Environmental tests, including simulations of shuttle loads represented by thermal response, turbulent duct, convective cycling, and chemical tolerance tests are described and results reported. Descriptions of material test samples and panels fabricated for testing are included. Descriptions of analytical sizing and design procedures are presented in a manner formulated to allow competent engineering organizations to perform rational design studies. Results of parametric studies involving material and system variables are reported. Material performance and design data are also delineated.

Source record↗

Particle motion in atmospheric boundary layers of Mars and Earth

To study the eolian mechanics of saltating particles, both an experimental investigation of the flow field around a model crater in an atmospheric boundary layer wind tunnel and numerical solutions of the two- and three-dimensional equations of motion of a single particle under the influence of a turbulent boundary layer were conducted. Two-dimensional particle motion was calculated for flow near the surfaces of both Earth and Mars. For the case of Earth both a turbulent boundary layer with a viscous sublayer and one without were calculated. For the case of Mars it was only necessary to calculate turbulent boundary layer flow with a laminar sublayer because of the low values of friction Reynolds number; however, it was necessary to include the effects of slip flow on a particle caused by the rarefied Martian atmosphere. In the equations of motion the lift force functions were developed to act on a single particle only in the laminar sublayer or a corresponding small region of high shear near the surface for a fully turbulent boundary layer. The lift force functions were developed from the analytical work by Saffman concerning the lift force acting on a particle in simple shear flow.

White, B. R.↗

Design and preliminary test results at Mach 5 of an axisymmetric slotted sound shield

The basic theory and sound attenuation mechanisms, the design procedures, and preliminary experimental results are presented for a small axisymmetric sound shield for supersonic wind tunnels. The shield consists of an array of small diameter rods aligned nearly parallel to the entrance flow with small gaps between the rods for boundary layer suction. Results show that at the lowest test Reynolds number (based on rod diameter) of 52,000 the noise shield reduced the test section noise by about 60 percent ( or 8 db attenuation) but no attenuation was measured for the higher range of test reynolds numbers from 73,000 to 190,000. These results are below expectations based on data reported elsewhere on a flat sound shield model. The smaller attenuation from the present tests is attributed to insufficient suction at the gaps to prevent feedback of vacuum manifold noise into the shielded test flow and to insufficient suction to prevent transition of the rod boundary layers to turbulent flow at the higher Reynolds numbers. Schlieren photographs of the flow are shown.

Beckwith, I. E.↗

Investigation of hydrogen and helium pumping by sputter ion pumps for Jupiter and outer planets mass spectrometer

The phenomena of ion pumping is reviewed with emphasis on the pumping mechanism for hydrogen and helium. The experimental tests measure the performance of a small, flight proven ion pump which has a nominal four liter/second pumping speed for air. The speed of this pump for hydrogen and helium, and for hydrogen/helium mixes, is presented with particular detail regarding the time dependence. Pump test results are related to anticipated performance of the mass spectrometer by the pumping speeds for the gases to the partial pressure in the ion source. From this analysis, the pump specifications are quantified in terms of mission goals and in terms of observed pumping speeds for the various gases, load levels, and time periods.

Scott, B. W.↗

Chemical kinetics of homogeneous atmospheric oxidation of sulfur dioxide

A systematic evaluation of known homogeneous SO2 reactions which might be important in air pollution chemistry is carried out. A mechanism is developed to represent the chemistry of NOx/hydrocarbon/SO2 systems, and the mechanism is used to analyze available experimental data appropriate for quantitative analysis of SO2 oxidation kinetics. Detailed comparisons of observed and predicted concentration behavior are presented. In all cases, observed SO2 oxidation rates cannot be explained solely on the basis of those SO2 reactions for which rate constants have been measured. The role of ozone-olefin reactions in SO2 oxidation is elucidated.

Sander, S. P.↗