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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9

Using Membranes with Internal Microchannels to Prevent Drying-out during CO 2 Electrolysis

Scaling up CO 2 electrolysis is a vital aspect in the transition to manufacturing sustainable fuels and chemical compounds, satisfying the demand for chemicals and demand for storing renewable electricity. Depending on the employed catalyst, different products can be produced, such as carbon monoxide and ethylene, by applying a voltage on a CO 2 and H 2 O fed electrolyzer. CO is a desirable product according to techno-economic analysis, because it can be produced selectively using a silver catalyst and is a precursor for hydrocarbons in the Fischer–Tropsch process. In a state-of-the-art CO 2 electrolyzer, two electrodes are directly pressed against an ion-exchange membrane – this is called a zero-gap configuration. Therefore, the membrane is a crucial component for the system, since it has the role of providing a conductive medium between the electrodes. One of the challenges in CO 2 electrolysis is that water is consumed in the reaction. At high current density, this may cause the membrane's surface near the cathode to dry out, lowering efficiency or perhaps stopping the process entirely, since there is no longer a conductive medium. As a result, water management is critical for this process. In this work, we approach the drying-out challenge by studying the novel concept of a membrane with internal microchannels. These channels allow the circulation of water or an electrolyte inside the membrane, which reduces the water diffusion path and affects the membrane’s conductivity. The effects of channel geometry, location, and concentrations of electrolyte inside on water content, conductivity and overall performance are studied in a 2D COMSOL model. In addition, the effect of internal concentration of electrolyte on the membrane’s resistance, on the process performance and the K + cross-over to cathode side were investigated experimentally. Our modeling results prove that the presence of the channels can keep the membrane hydrated. The highest current densities are observed when the channel is closest to the cathode, and with smaller pores. Smaller pores are advantageous due to the trade-off between enhanced membrane conductivity and the lower conductivity of the liquid itself. If water is circulated in a large channel, it increases the membrane’s ionomer conductivity due to hydration but the overall conductivity is decreased since water is not highly conductive. Nonetheless, the results also show that a higher concentration of electrolyte inside the microchannels can significantly increase the total conductivity of the membrane, and therefore the energy efficiency of the process. These effects are most significant at higher current densities. In the experimental results, we’ve observed similar effects in terms of membrane conductivity and current density of the process – the higher the electrolyte concentration the higher the current density. Furthermore, a low concentration decreases the amount of potassium which crosses over to the cathode side, inhibiting salt deposition. We’ve concluded that a small channel, up to 90 µm wide, close to the pore with an electrolyte with a concentration of up to 10 mM could be very beneficial for the water management and energy efficiency of the process. This helps to keep the membrane hydrated at higher current densities, improves the conductivity of the membrane, and it doesn’t have significant impacts on the salt deposition.

Petrov, Kostadin Veselinov↗

Berkeley Lab Finite Element Framework (BELFEM) v0.1

The software program, referred to as BELFEM, is a specialized finite element code designed for the magnetodynamic modeling of high-temperature superconducting (HTS) tapes. It incorporates novel mixed finite element formulations, particularly the h-ϕ-formulation with thin-shell simplification, to efficiently simulate larger geometries. This methodology is extremely promising for predicting the electrodynamic performance of HTS tapes used in superconducting cables and magnets, offering the benefit of reduced computational cost. Compared to similar technologies like COMSOL Multiphysics and GetDP, BELFEM's performance benchmarking indicates superior efficiency in its thin-shell implementation. In the future, it will also support features like thermal coupling and inter-tape current sharing, enhancing its utility in research and development, particularly in nuclear fusion applications. The intent is to develop BELFEM as a robust and efficient tool for the HTS community, contributing to the analysis and design of superconducting cables and magnets.

Messe, Christian↗

ExoToComsol v.0.1

SAND2024-08641O ExoToComsol models capability-sharing. For example, the software can develop a multiphysics modeling chain using physics modeling capabilities from different research institutions using either SIERRA or COMSOL. The converter program allows exporting user-defined, region-of-interest from a large FE model, which results in a finer mesh of the submodel that can be used for subsequent analysis. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rahman, Farhan↗

Historical review and proof-of-concept future method demonstration of adaptive mesh refinement in nuclear engineering for increased fidelity and computational efficiency

As the nuclear industry's use of computational tool increases, the need for increased fidelity and computational efficiency is well known. While most approaches to increased fidelity rely on applying a fine mesh over the problem domain, a more efficient method is to apply an adaptive mesh refinement (AMR) algorithm to the mesh definition. In the field of nuclear engineering, AMR has previously been used in conjunction with deterministic methods, including: S{sub N} transport methods, Lattice Boltzmann Methods, and COMSOL. The future of AMR in nuclear engineering is to couple it to a Monte Carlo code with the goal of reducing calculation time. A proof-of-concept example yielded positive results for using the gradient of the flux as a refinement criteria. The refinement criteria was varied from 0.01 to 0.10, which yielded a recommended range of 0.01 to 0.04, and the number of refinement iterations was varied from 0 to 7, with diminishing returns seen after 5 iterations. After the success of the proof-of-concept exercise, work began on creating a full program coupling MCNP6.2 and the AMR algorithm in the deal.II library. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Coupling between plasmonic and photonic crystal modes in suspended three-dimensional meta-films

A complementary metal oxide semiconductor (CMOS) compatible fabrication method for creating three-dimensional (3D) meta-films is presented. In contrast to metasurfaces, meta-films possess structural variation throughout the thickness of the film and can possess a sub-wavelength scale structure in all three dimensions. Here we use this approach to create 2D arrays of cubic silicon nitride unit cells with plasmonic inclusions of elliptical metallic disks in horizontal and vertical orientations with lateral array-dimensions on the order of millimeters. Fourier transform infrared (FTIR) spectroscopy is used to measure the infrared transmission of meta-films with either horizontally or vertically oriented ellipses with varying eccentricity. Shape effects due to the ellipse eccentricity, as well as localized surface plasmon resonance (LSPR) effects due to the effective plasmonic wavelength are observed in the scattering response. The structures were modeled using rigorous coupled wave analysis (RCWA), finite difference time domain (Lumerical), and frequency domain finite element (COMSOL). The silicon nitride support structure possesses a complex in-plane photonic crystal slab band structure due to the periodicity of the unit cells. We show that adjustments to the physical dimensions of the ellipses can be used to control the coupling to this band structure. The horizontally oriented ellipses show narrow, distinct plasmonic resonances while the vertically oriented ellipses possess broader resonances, with lower overall transmission amplitude for a given ellipse geometry. We attribute this difference in resonance behavior to retardation effects. The ability to couple photonic slab modes with plasmonic inclusions enables a richer space of optical functionality for design of metamaterial-inspired optical components.

42 ENGINEERING↗

Design and characterization of “flow-cell” integrated-flow active cooling for high-average-power ceramic optics

We used COMSOL Multiphysics to design a prototype actively cooled “flow-cell” substrate targeted at high-average-power applications, fabricated the prototype from cordierite ceramic, and tested the substrate under load in our thermal loading test stand. Sub-aperture testing revealed average-power handling up to 3.88-W/cm 2 absorbed power density, in excellent agreement with model predictions. Gratings fabricated on 2-in.-diam cordierite coupons were subjected to laser-damage testing and showed a damage threshold of 250 mJ/cm 2 .

47 OTHER INSTRUMENTATION↗

Investigating the dielectric constant of barium titanate in a polymer-matrix nanocomposite

Barium titanate (BTO) is a ferroelectric material used in capacitors because of its high bulk dielectric constant. However, the impact of the size of BTO on its dielectric constant is not yet fully understood and is highly contested. Here, we present an investigation into the dielectric constant of BTO nanoparticles with diameters ranging between 50 and 500 nm. BTO nanoparticles were incorporated into acrylonitrile butadiene styrene and injection molded into parallel plate capacitors, which were used to determine nanocomposite dielectric constants. The dielectric constants of BTO nanoparticles were obtained by combining experimental measurements with computational results from COMSOL simulations of ABS-matrix nanocomposites containing BTO. The dielectric constant of BTO was observed to be relatively constant at nanoparticle diameters as small as 200 nm but sharply declined at smaller nanoparticle sizes. Overall, these results will be useful in the development of improved energy storage and power conditioning systems utilizing BTO nanoparticles.

36 MATERIALS SCIENCE↗

Conduction Heat Transfer through Solid in Porous Materials: A Comparative Study by Finite-Element Simulations and Effective Medium Approximations

The development of insulation materials with low effective thermal conductivity is essential for energy savings in various applications, including buildings, food services, pipe insulation, and refrigeration. Such materials can be developed by using micro- or nanoporous structures, as well as low-thermal conductivity gases and/or reduced pressure. A variety of effective medium approximation (EMA) models have been developed to study thermal transport through solid in porous structures. However, in many cases, the impacts of porosity on solid conduction are not well predicted by EMA models because of the assumptions made for simplification. Furthermore, the results can vary by a factor of up to 1.5, depending on the morphology of the pores. Hence, proper guidance is needed to choose the appropriate EMA model for a given morphology. This work presents a finite element method study using COMSOL Multiphysics software for various geometries, including hollow cubes, overlapping hollow spheres (normally stacked and tightly packed), and Voronoi structures, and compares the results to those obtained from various EMA models. Simulation results for the hollow cubes and Voronoi structures matched well with the Maxwell-Eucken and Russell model. The results for hollow spheres closely matched the Bauer model and the Glicksman model with fitting parameters. This work provides guidance on analyzing and designing insulation materials for energy savings in the future.

36 MATERIALS SCIENCE↗

Feasibility of Process Intensification of Water-Gas Shift Reaction Using a Microreactor with Integrated Cooling

Hydrogen is an increasingly attractive low-carbon energy carrier for a variety of stationary and mobile applications. The water-gas shift (WGS) reaction is a key processing step used for large-scale hydrogen production via the steam methane reforming process. However, the thermodynamics and kinetics of the reaction are such that standard two-stage adiabatic reactors used in these systems are large, increasing catalyst volume and cost. To intensify the process and realize the economical distributed production of hydrogen, adiabatic WGS microreactors with integrated cooling directly regulate the reaction temperature via integrated coolant channels to promote higher conversion within a smaller reactor volume. This study investigates the conversion efficiency of a single WGS microchannel operating under such cooling conditions. A COMSOL Multiphysics model is developed and validated with isothermal experimental data from the literature. The model is then used to evaluate improvements in conversion efficiency when the reaction is cooled via a specified wall temperature profile. Lastly, the model is modified to include cooling channels with a secondary fluid that can practically achieve a similar conversion profile as the specified wall temperature profile previously applied. Initial results show that reactor conversion can be significantly increased by the inclusion of appropriate cooling and that there is a potential for the recovery of energy from the reaction stream that can be used for other applications within the overall process.

energy recovery↗

Evaluating the Effects of Nitrogen Doping and Oxygen Doping on SRF Cavity Performance

Superconducting radiofrequency (SRF) cavities are resonators with extremely low surface resistance that enable accelerating cavities to have extremely high quality factors (Q₀). High Q₀ decreases the capital required to keep the accelerators cold by reducing power loss. The performance of SRF cavities is largely governed by the surface composition of the first §I{100}{nm} of the cavity surface. Impurities such as oxygen and nitrogen have been observed to yield high Q₀, but their precise roles are still being studied. Here, we compare the performance of cavities doped with nitrogen and oxygen in terms of surface composition and heating behavior with field. A simulation of the diffusion of oxygen into the bulk of the cavity was built using COMSOL Multiphysics software. Simulated results were compared to the actual surface composition of the cavities as determined from secondary ion mass spectrometry analysis. Understanding how these impurities affects performance allows us to have further insight into the underlying mechanisms that enable these surface treatments to yield high Q₀.

43 PARTICLE ACCELERATORS↗

DEVELOPMENT OF PLASMA SIMULATION TOOL FOR THE ACCEL-ERATING CAVITIES

Plasma processing of superconducting radio frequency (SRF) cavities has shown an improvement in accelerating gradient by reducing the radiation due to field emission and multipacting. Plasma processing is a common tech-nique where the free oxygen produced by the plasma breaks down and removes hydrocarbons from surfaces. This increases the work function and reduces the second-ary emission coefficient. The hydrocarbon fragments of H2, CO, CO2, and H2O are removed from the system with the process gas which is flowing through the system. Here, we present COMSOL for the first time to simulate the plasma processing of an SRF cavity. In this work, we use Jefferson Lab's C75 SRF cavities design as our case study. Using simulation, we predict the condition of plasma ignition inside the SRF cavity. The simulation provides information about the optimal rf coupling to the cavity, mode for plasma ignition, choice of gas concen-tration, power, and pressure.

Senevirathne, I.↗

Simulation of the thermoelectric effect in a multi-metallic superconducting cavity

Superconducting radio-frequency accelerating cavities made with different material layers, such as copper, Nb or Nb₃Sn, are susceptible to thermoelectric effects due to differences in Seebeck coefficients between the metals. A temperature gradient across the surfaces can drive thermoelectric currents, which may impact the cavity performance. A layered Cu/Nb/Nb3Sn single-cell cavity was tested with cryocoolers in 2022. Three heaters were mounted on the cavity surface at different locations and three single-axis cryogenic fluxgate magnetometers were attached close to the cavity equator. A linear increase in the magnetic field was measured while increasing the heaters' power. The cavity setup was analyzed with COMSOL and the results showed a trend similar to that observed in the experiment. This contribution details the approach chosen for the simulation and some of the challenges encountered.

Accelerator Physics↗

Plasma processing of SRF cavities at Jefferson Lab: Experiment results and simulation insight

Plasma processing of superconducting radio frequency (SRF) cavities has been an active research effort at Jefferson Lab (JLab) since 2019, aimed at enhancing cavity performance by removing hydrocarbon contaminants and reducing field emission. In this experiment, processing using argon-oxygen and helium-oxygen gas mixtures to find minimum ignition power at different cavity pressure was investigated. Ongoing simulations are contributing to a better understanding of the plasma surface interactions and the fundamental physics behind the process. These simulations, combined with experimental studies, guide the optimization of key parameters such as gas type, RF power, and pressure to ignite plasma using selected higher-order mode (HOM) frequencies. This paper presents experimental data from argon-oxygen and helium-oxygen gas mixture C75 and C100 cavity plasma ignition studies, as well as simulation results for the C100-type cavity based on the COMSOL model previously applied to the C75 cavity.

Accelerator Physics↗

Simulation of the dynamics of gas mixtures during plasma processing in the C75 Cavity

Plasma processing using a mixture of noble gas and oxygen is a technique that is currently being used to reduce field emission and multipacting in accelerating cavities. Plasma is created inside the cavity when the gas mixture is exposed to an electromagnetic field that is generated by applying RF power through the fundamental power or higher-order mode couplers. Oxygen ions and atomic oxygen are created in the plasma which breaks down the hydrocarbons on the surface of the cavity and the residuals from this process are removed as part of the process gas flow. Removal of hydrocarbons from the surface increases the work function and reduces the secondary emission coefficient. This work describes the initial results of plasma simulation, which provides insight into the ignition process, distribution of different species, and interactions of free oxygen and oxygen ions with the cavity surfaces. The simulations have been done with an Ar/?2 plasma using COMSOL® multiphysics. These simulations help in understanding the dynamics and control of plasma inside the cavity and the exploration of different gas mixtures.

Dhakal, Pashupati↗

Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials (Second Annual Progress Report)

Additive manufacturing (AM) is an emerging method for cost-efficient fabrication of nuclear reactor parts. AM of metallic structures for nuclear energy applications is currently based on laser powder bed fusion (LPBF) process, which can introduce internal material flaws, such as pores and anisotropy. Integrity of AM structures needs to be evaluated nondestructively because material flaws could lead to premature failures due to exposure to high temperature, radiation and corrosive environment in a nuclear reactor. Thermal tomography (TT) provides a capability for non-destructive evaluation of sub-surface defects in arbitrary size structures. Thermal tomography is a computational method for heat diffusion-based imaging of solids, which provides 3D visualization of data from flash thermography measurements. We investigate thermal tomography imaging and nondestructive evaluation of stainless steel and nickel super alloy metallic structures produced with laser powder bed fusion (LPBF) additive manufacturing (AM) process. Metallic structures produced with LPBF contain defects, and there are limited capabilities to evaluate these structures non-destructively. Thermal tomography reconstruction of 3D apparent spatial effusivity provides information about AM structure geometry and internal material flaws. We study performance of thermal tomography in imaging of metallic structures through COMSOL computer simulations of transient heat transfer, and through reconstruction of data obtained from experimental measurements. Reconstruction of internal defects is investigated using a stainless steel 316L specimen with flat bottom hole (FBH) indentations, and Inconel 718 plate produced with laser powder bed fusion (LPBF) method, which contains imprinted hemispherical shape low density regions containing non-sintered metallic powder. The FBH’s have the same sizes as the imprinted defects in the LPBF specimens, but offer better imaging contrast. Thermal tomography reconstructions provide visualizations of internal defects, and allow for estimation of their sizes and locations. Detection sensitivity of TT is limited by noises. We investigate separation of signal from noise in thermography images using several machine learning (ML) methods, including new spatio-temporal blind source separation (STBSS) and spatio-temporal sparse dictionary learning (STSDL) methods. Performance of the ML methods is benchmarked using thermography data obtained from imaging stainless steel 316L and Inconel 718 specimens produced LPBF method with imprinted calibrated porosity defects. The ML methods are ranked by F-score and execution runtime. Finally, we investigate TT of AM stainless steel 316L specimen with imprinted internal porosity defects using relatively low-cost, small form factor infrared (IR) camera based on uncooled micro bolometer detector. Sparse coding related K-means singular value decomposition (SVD) machine learning, image processing algorithms are developed to improve quality of TT images through removal of Additive white Gaussian noise without blurring the images. Following initial qualification of an AM component for deployment in a nuclear reactor, a compact TT can also be used for in-service nondestructive evaluation (NDE). With capability to perform in-service NDE of the AM component lifecycle, TT data can be used for development of a component digital twin.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Design of Microwave Resonant Cavity Transducer. Development of sensor performance model of microwave cavity flow meter for advanced reactor high temperature fluids

High-temperature fluid reactors, such as molten salt cooled reactors (MSCR) and sodium fast reactors (SFR), are a promising advanced reactor option. Measurement of high-temperature fluid process variables, in particular the flow inside the pressure vessel, is a challenging task because of harsh environment, which includes high radiation, high temperature, and contact with highly corrosive coolant fluid. We are investigating a microwave cavity-based transducer for high-temperature fluid flow sensing. This sensor is a hollow metallic cylindrical cavity, which can be fabricated from stainless steel, and as such is expected to be resilient to radiation, high temperature and corrosive environment of MSCR and SFR. The principle of sensing consists of making one wall of the cylindrical cavity flexible enough so that dynamic pressure, which is proportional to fluid velocity, will cause membrane deflection. A cavity is characterized by its resonant frequencies. Membrane deflection causes cavity volume change, which leads to a shift in the resonant frequency. Feasibility of the flow sensor is evaluated with signal sensitivity using COMSOL computer simulations. A right cylinder geometry stainless steel cavity with dimeter of 0.8in was investigated. We choose membrane thickness of 10mil, so that corrosion anticipated to proceed at the rate of 1mil/year in liquid sodium would affect no more than 10% of the membrane. Using the properties of liquid sodium fluid, and stainless-steel material property values at 500oC, we calculate frequency shift for a range of values of fluid velocity from 0.5m/s to 2m/s. Results of computer simulations indicate measurable sensitivity to flow for this cavity design. Following these simulations, we have developed a preliminary design for fabrication of a transducer operating in microwave K-band for proof-of-principle tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Vibrational Energy Harvesting Using a Cantilever Model

Vibrational energy harvesting (VEH) is a method of capturing incidental mechanical vibrational energy and converting it to electrical energy. This is enabled by two technologies: Electromagnetic induction via a cantilever or piezoelectric devices. When designing a VEH system, a fast forward model is desired for response determination and optimal parameter estimation. An ordinary different equation (ODE) system model is developed for the cantilever system based upon the derivations of [1] and [2], and compared with a full electromechanical COMSOL model.

42 ENGINEERING↗

Simulating Dopant Diffusion in a Detalied Porous Structure

The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) uses highpowered lasers to explore cutting edge fusion technology. Specialized optics, known as fiber lasers, generate and amplify the NIF’s high-powered lasers that facilitate fusion experiments. Fiber lasers are glass fibers that are doped with heavy elements to stimulate light emission. The fiber laser doping processing uses a predeposited layer of porous silica nanoparticles on the surface of the glass to absorb a dopant rich salt solution. Our project simulated the diffusion of dopants into porous silica with prescribed colloidal stacking geometries using COMSOL Multiphysics. With these simulations we identified the porosity and tortuosity of the porous nanoparticle structures as the primary parameters that will dictate how the dopants will diffusive into the porous surface of the glass. Porosity and Tortuosity are geometric parameters that can easily be input into more detailed simulations to estimate an effective diffusivity within the porous layer. Future work should account for surface reactions to accurately simulate the full-scale diffusion of the solution doping process.

36 MATERIALS SCIENCE↗