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At least 55 records · Page 3

Multiphysics Modeling Framework for Soft PVC Gel Sensors with Experimental Comparisons

Polyvinyl chloride (PVC) gels have recently been found to exhibit mechanoelectrical transduction or sensing capabilities under compressive loading applications. This phenomenon is not wholly understood but has been characterized as an adsorption-like phenomena under varying amounts and types of plasticizers. A different polymer lattice structure has also been tested, thermoplastic polyurethane, which showed similar sensing characteristics. This study examines mechanical and electrical properties of these gel sensors and proposes a mathematical framework of the underlying mechanisms of mechanoelectrical transduction. COMSOL Multiphysics is used to show solid mechanics characteristics, electrostatic properties, and transport of interstitial plasticizer under compressive loading applications. The solid mechanics takes a continuum mechanics approach and includes a highly compressive Storakers material model for compressive loading applications. The electrostatics and transport properties include charge conservation and a Langmuir adsorption migration model with variable diffusion properties based on plasticizer properties. Results show both plasticizer concentration gradient as well as expected voltage response under varying amounts and types of plasticizers. Experimental work is also completed to show agreeance with the modeling results.

42 ENGINEERING↗

Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion (Final Scientific/Technical Report)

This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.

08 HYDROGEN↗

Optimizing the Electroforming Process to Enhance the Thickness Uniformity of Full Shell X-Ray Optics

Electroforming replication technology at Marshall Space Flight Center has a long heritage of producing highquality full-shell X-ray mirrors for various applications. Nickel alloys are electroformed onto a super-polished mandrel in the electroforming process, then separated to form the replicated full-shell optic. Various parameters in the electroplating configuration could result in the nonuniformity of the shell’s thickness. Thickness nonuniformities primarily occur due to non-uniform electric field distributions in the electroforming tank during the deposition. Using COMSOL Multiphysics simulations, we have studied the electric field distributions during the deposition process. Using these studies, we have optimized the electric fields inside the tank using customized shields and insulating gaskets on the mandrel. These efforts reduced thickness non-uniformity from over 20% to under 5% percent. Improving the thickness uniformity of the shell aids in better mounting and alignment of shells in the optics module. Optimization of the electroforming process, in some cases, improved the optical performance of the shells. COMSOL optimizing of the electroforming process and the experimental results validating these simulations are presented in this article.

X-ray optics↗

Prediction of PbLi fluid flow and temperature field in a thermal convection loop for qualification of fusion materials

Two modeling tools, a thermohydraulics code and a computational model in COMSOL Multiphysics, have been developed, tested and then applied to the analysis of fluid flow and heat transfer in a thermal convection loop (TCL). Such a device has recently been used to experimentally evaluate corrosion compatibility of APMT (Fe–21Cr–5Al–3Mo) steel with high-temperature molten eutectic lead-lithium (PbLi) alloy at Oak Ridge National Lab, TN, USA. Here, the 1-D thermohydraulics code allows for rapid calculations of the loop parameters as a function of the applied heat flux. The supplemental COMSOL finite-element computations provide detailed 3-D velocity and temperature field data but are much more time consuming. Both modelling tools demonstrate an excellent agreement in the computed circulation velocity as well as maximum and minimum temperatures. The performed TCL analysis focuses on flow development in the “hot” and “cold” legs, formation of Dean vortices in corner regions, blocking effect of the immersed samples, and radiative and convective cooling effects under the experiment-relevant conditions for Prandtl number Pr = 0.015, Grashof numbers Gr ~10 7 , and Reynolds numbers Re ~10 4 .

36 MATERIALS SCIENCE↗

Community Geothermal: Borefield Design, Thermal Conductivity, and Subsurface Modeling Data - Chicago, IL

This dataset encompasses the development of a geothermal energy system for the West Woodlawn neighborhood in Chicago, Illinois. This project is part of a broader initiative to design and deploy geothermal heating and cooling systems at a community scale. The dataset includes thermal conductivity test results, calculations for borehole sizing based on the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) method, as well as simulated thermal loads based on actual energy usage from individual buildings. Also provided here are files used for numerical modeling via COMSOL Multiphysics to simulate borefield design and subsurface thermal behavior. Two manuscripts are attached, which outline the broad objectives of the project and a description of the numerical modeling methodology and results.

15 GEOTHERMAL ENERGY↗

Mapping the performance of a versatile water-based condensation particle counter (vWCPC) with numerical simulation and experimental study

Accurate airborne aerosol instrumentation is required to determine the spatial distribution of ambient aerosol particles, particularly when dealing with the complex vertical profiles and horizontal variations of atmospheric aerosols. A versatile water-based condensation particle counter (vWCPC) has been developed to provide aerosol concentration measurements under various environments with the advantage of reducing the health and safety concerns associated with using butanol or other chemicals as the working fluid. However, the airborne deployment of vWCPCs is relatively limited due to the lack of characterization of vWCPC performance at reduced pressures. Given the complex combinations of operating parameters in vWCPCs, modeling studies have advantages in mapping vWCPC performance. In this work, we thoroughly investigated the performance of a laminar-flow vWCPC using COMSOL Multiphysics® simulation coupled with MATLAB™. We compared it against a modified vWCPC (vWCPC model 3789, TSI, Shoreview, MN, USA). Our simulation determined the performance of particle activation and droplet growth in the vWCPC growth tube, including the supersaturation, $D$ p,kel,0 (smallest size of particle that can be activated), $D$ p,kel,50 (particle size activated with 50 % efficiency) profile, and final growth particle size D d under wide operating temperatures, inlet pressures $P$ (30–101 kPa), and growth tube geometry (diameter $D$ and initiator length $L$ ini ). The effect of inlet pressure and conditioner temperature on vWCPC 3789 performance was also examined and compared with laboratory experiments. The COMSOL simulation result showed that increasing the temperature difference (Δ$T$) between conditioner temperature $T$ con and initiator $T$ ini will reduce $D$ p,kel,0 and the cut-off size $D$ p,kel,50 of the vWCPC. In addition, lowering the temperature midpoint ($T$ mid = $\frac{T_{con}+T_{ini}}{2}$ increases the supersaturation and slightly decreases the $D$ p,kel . The droplet size at the end of the growth tube is not significantly dependent on raising or lowering the temperature midpoint but significantly decreases at reduced inlet pressure, which indirectly alters the vWCPC empirical cut-off size. Our study shows that the current simulated growth tube geometry ($D$=6.3 mm and $L$ ini =30 mm) is an optimized choice for current vWCPC flow and temperature settings. The current simulation can more realistically represent the $D$ p,kel for 7 nm vWCPC and also achieved good agreement with the 2 nm setting. Using the new simulation approach, we provide an optimized operation setting for the 7 nm setting. This study will guide further vWCPC performance optimization for applications requiring precise particle detection and atmospheric aerosol monitoring.

47 OTHER INSTRUMENTATION↗

Finite Element Analysis (FEA) for Water-Foam Fracturing of Granite Rock

In addition to the foam data that were obtained from literature and that were collected from the current study, simulation data was also generated from finite element analysis (FEA) conducted in this study using COMSOL Multiphysics software. The FEA models were built to simulate the experiments conducted at Oak Ridge National Laboratory (ORNL) on cement and granite samples. In these FEA models, temperature was kept at ambient while the pressure profile resembled the loading conditions during the ORNL experiments, where pressure was either monotonically increased or applied cyclically. The cement material was used as a model material and was used to study Von Mises stress and tensile stress distribution for different bore hole length geometry using a parametric sweep with water as fracturing fluid using solid-fluid interaction module. For the granite material, FEA models were developed for stress analysis of cylindrical samples with water or foam fluids. The solid mechanics module in COMSOL was implemented to solve for Von Mises stress and tensile stress. The fluid-structure interaction module was implemented to solve for water-foam interaction on granite cylinder with addition of fluid-loading on structure, i.e., large deformation in solid mechanics with no impact on fluid deformation. Foam was considered as a pseudo single-phase compressible fluid for which material properties were calculated from water and gas (nitrogen) phases. The density of foam is calculated as a function of the densities of water and nitrogen, while viscosity is a function of temperature. Four types of FEA analyses were modelled: 1. Monotonic injection with water 2. Monotonic injection with foam 3. Cyclic injection with water 4. Cyclic injection with foam All the COMSOL files are converted to a zip file which is save in .mph.

15 GEOTHERMAL ENERGY↗

Experimental validation of multiphysics model simulations of the thermal response of a cement clinker rotary kiln at laboratory scale

Abstract An increasing demand for buildings, transportation systems and civil infrastructure development has driven expansion of cement consumption world‐wide, producing a significant increase in related global energy demand. With approximately 7% of the world‐wide industrial energy consumption (10.7 exajoules [EJ]), the cement industry is the third most energy intensive industrial processes and a key component for concrete, the most consumed composite material in the global construction industry. In cement manufacturing, the cement kiln accounts for most of the energy consumption in the production process. As the heart of a cement plant, the cement kiln is where the kiln feed primarily containing calcium oxide (CaO), silica (SiO 2 ), alumina (Al 2 O 3 ), and iron (Fe 2 O 3 ) are thermally and chemically transformed into clinker minerals. The presented work developed a multiphysics model, designed and built a laboratory‐scale rotary cement clinker kiln, and produced cement clinker at laboratory‐scale. The model was developed to study the interaction between the various thermal, fluid dynamic and chemical interactions involved in the sintering process used to form Portland cement clinker in an effort to reduce energy use. The analytical model was validated through experimental testing using a unique laboratory‐scale rotary cement kiln developed during the investigation. Also demonstrated was the feasibility of producing clinker at laboratory scale. This modeling and lab scale tests were designed to better understand the clinker sintering process so that operational and quality decisions can be made to optimize energy consumption without compromising cement clinker quality. The computational fluid dynamics modeling was developed in COMSOL Multiphysics 6.0. The characteristics of the combustion fluid flow, concentration of species, temperature and heat transfer were studied for a turbulent flow of methane (CH 4 ) gas and oxygen (O 2 ). Theory suggests that heat transfer impacts the cement production process but the multiphysics model more accurately describes the convection, conduction, and radiant heat transfer in the kilning process and thus allows for a better understanding of the energy exchange driving the chemical reactions that produce Portland cement. Clinker minerals were formed because of appropriate burning conditions implemented during experimental model validation.

Tabares, Juan David↗

Using Simulation to Analyze Acoustic Environments

One of the main projects that was worked on this semester was creating an acoustic model for the Advanced Space Suit in Comsol Multiphysics. The geometry tools built into the software were used to create an accurate model of the helmet and upper torso of the suit. After running the simulation, plots of the sound pressure level within the suit were produced, as seen below in Figure 1. These plots show significant nulls which should be avoided when placing microphones inside the suit. In the future, this model can be easily adapted to changes in the suit design to determine optimal microphone placements and other acoustic properties. Another major project was creating an acoustic diverter that will potentially be used to route audio into the Space Station's Node 1. The concept of the project was to create geometry to divert sound from a neighboring module, the US Lab, into Node 1. By doing this, no new audio equipment would need to be installed in Node 1. After creating an initial design for the diverter, analysis was performed in Comsol in order to determine how changes in geometry would affect acoustic performance, as shown in Figure 2. These results were used to produce a physical prototype diverter on a 3D printer. With the physical prototype, testing was conducted in an anechoic chamber to determine the true effectiveness of the design, as seen in Figure 3. The results from this testing have been compared to the Comsol simulation results to analyze how closely the Comsol results are to real-world performance. While the Comsol results do not seem to closely resemble the real world performance, this testing has provided valuable insight into how much trust can be placed in the results of Comsol simulations. A final project that was worked on during this tour was the Audio Interface Unit (AIU) design for the Orion program. The AIU is a small device that will be used for as an audio communication device both during launch and on-orbit. The unit will have functions including push-to-talk buttons and volume control. With this project, an existing design was modified based on prior feedback that had been received. With the modified design, I created a 3D printed prototype, shown in Figure 4, which was then used in suited evaluations performed by crew members. The feedback received from those evaluations will be utilized to help create the best possible Orion AIU. As a whole, a number of different interesting engineering projects were worked on over the course of this semester. For many of these projects, acoustic simulations provided valuable insight into how different environments would respond to sound. While work is still underway to verify the results of these simulations, the results are fascinating because of the interesting ways that sound waves interact with the environment. Going forward, it will be interesting to see how closely these results can be matched by real-world test data.

Wood, Eric J.↗

Modeling of Vertical Motor-driven Pump for Simulation of a Fault Signature \\ for Condition Monitoring

As part of the ongoing effort to transition from preventive maintenance strategies to condition-based maintenance strategies in nuclear power plants, there is significant reliance on using machine learning techniques. To develop a robust machine learning model that can diagnose all the fault modes of a vertical motor-driven pump, data capturing the unique signature of each fault mode is required. In practice, it is difficult to collect or capture data that captures all the fault modes from a single plant site. So to address this situation, a computational model of a vertical motor-driven pump is developed using the multipurpose finite element software COMSOL Multiphysics. The developed model is used to generate simulated data under normal operation and is compared with the vibration data collected using vibration sensors. Once the simulation model is verified under normal operating condition, simulated data for the fault mode for which minimal or no evidence is available in historical plant process data is developed. This simulated data is used to develop fault signatures to achieve robust predictive models. This paper presents modeling details and verification of the model that can used to generate data for fault modes that are not available at a plant site for condition monitoring purpose.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Modeling Isothermal Reduction of Iron Ore Pellet Using Finite Element Analysis Method: Experiments & Validation

Iron ore pellet reduction experiments were performed with pure hydrogen (H2) and mixtures with carbon monoxide (CO) at different ratios. For direct reduction processes that switch dynamically between reformed natural gas and hydrogen as the reductant, it is important to understand the effects of the transition on the oxide reduction kinetics to optimize the residence time of iron ore pellets in a shaft reactor. Hence, the reduction rates were studied by varying experimental parameters such as the temperature (800, 850 & 900 °C), reactant gas flow rate (100, 150 & 200 cm3/min), pellet size and composition of the reactant gas mixture. The rate of reduction was observed to increase with an increase in temperature and reactant gas flow rate, but it decreased with an increase in pellet size. SEM greyscale analysis was performed to analyze the porosity and phase composition of partially reduced pellets. The porosity of the pellets was observed to increase from 0.3 for unreacted pellet to 0.42 for a completely reduced pellet. Energy-dispersive X-ray spectroscopy (EDAX) analysis was performed to identify the phases observed in the SEM images. The fraction of iron phase was observed to increase from the shell region of the pellet to the core region with an increase in the degree of reduction. A 2D-axisymmetric numerical model was developed on COMSOL Multiphysics, and it was validated using the conversion (X) vs. time curves obtained from each experiment. The model was able to accurately predict the total time needed for the complete conversion of a single iron ore pellet for multiple experiments. Effects of changes in the porosity and tortuosity of the pellet on the model were also studied and the rate of reduction was observed to be sensitive to changes in both porosity and tortuosity. The SEM analysis and the model results show that tortuosity is higher for pellets reduced with H2 than for pellets reduced with H2-CO gas mixtures.

08 HYDROGEN↗

Modeling and Design Parameter Optimization to Improve the Sensitivity of a Bimorph Polysilicon-Based MEMS Sensor for Helium Detection

Helium is integral in several industries, including nuclear waste management and semiconductors. Thus, developing a sensing method for detecting helium is essential to ensure the proper operation of such facilities. Several approaches can be used for helium detection, including based on the high thermal conductivity of helium, which is several times higher than air. This work utilizes the high thermal conductivity of helium to design and analyze a bimorph MEMS sensor for helium sensing applications. COMSOL Multiphysics software (version 6.2) is used to carry out this investigation. The sensor is constructed from poly-silicon and SiO 2 materials with a trenched cantilever beam configuration. The sensor is electrically heated, and its morphed displacement depends on the surrounding gas’s composition, which decreases in the presence of helium. Several factors were investigated to probe their effect on the sensor’s sensitivity to helium, including the thickness of the poly-silicon layer, the configuration of the trench, and the thickness and location of SiO 2 layer. The simulations showed that the best performance, up to 2 ppm helium detection level, can be achieved with thinner beams and medium trench lengths.

47 OTHER INSTRUMENTATION↗

Modeling of Vertical Motor-driven Pump for Simulation of a Fault Signature \\ for Condition Monitoring

As part of the ongoing effort to transition from preventive maintenance strategies to condition-based maintenance strategies in nuclear power plants, there is significant reliance on using machine learning techniques. To develop a robust machine learning model that can diagnose all the fault modes of a vertical motor-driven pump, data capturing the unique signature of each fault mode is required. In practice, it is difficult to collect or capture data that captures all the fault modes from a single plant site. So to address this situation, a computational model of a vertical motor-driven pump is developed using the multipurpose finite element software COMSOL Multiphysics. The developed model is used to generate simulated data under normal operation and is compared with the vibration data collected using vibration sensors. Once the simulation model is verified under normal operating condition, simulated data for the fault mode for which minimal or no evidence is available in historical plant process data is developed. This simulated data is used to develop fault signatures to achieve robust predictive models. This paper presents modeling details and verification of the model that can used to generate data for fault modes that are not available at a plant site for condition monitoring purpose.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗

Model-based optimization strategies for direct hydrogenation of carbon dioxide to dimethyl ether

Here, this study discusses model-based optimization strategies for CO 2 hydrogenation to dimethyl ether (DME) over aCuZnZr (CZZ) and ferrite (FER) mixed catalyst system in a packed-bed reactor configuration. A two-dimensional axisymmetric, nonisothermal packed-bed reactor model was developed using COMSOL Multiphysics 6.2 software. The model solves two-dimensional (radial and axial) heat and mass transport equations in the packed-bed and integrates intraparticle diffusion and heat transfer in a 1D approach. This powerful feature differs from a traditional porous media approach and takes into account any heat and mass transfer limitations that may exist. Analysis shows that the heat transfer limitations are negligible, but strong internal mass transfer limitations were observed at 10 ≤ WHSV ≤ 90 h -1 on the FER catalyst and at 240 °C. The optimum catalyst composition (i.e., mixing ratio) varies depending on the operating regime. The FER catalyst weight in the mixture can be as low as 5 wt.%, but the ideal composition de-pends on the internal mass transfer limitation and its relationship with the operating regime (i.e., weight hourly space velocity, temperature). A catalyst composition of 80 wt.% CZZ and 20 wt.% FER was suggested; this composition can provide high CO 2 conversion and DME production rates at a wide range of temperatures and flow rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of direct air capture processes using reactive transport models of adsorption-desorption cycles

In this study, we develop and implement a reactive transport model in COMSOL Multiphysics® to address the challenges of direct air carbon capture. The model is validated against experimental data and used to simulate the cyclic steady state of the adsorption-desorption process. The optimization of this model is achieved through advanced trust-region methods integrated with Gaussian Processes. Key decision variables, including adsorption and desorption times, desorption temperature and pressure, input velocity, bed porosity, column length, and radius were optimized to minimize the capture cost. After optimization, a sensitivity analysis revealed the complex interplay between the decision variables and their effect on the specific energy and cost of removing the CO 2 . We optimized the capture cost while taking into account the trade-off between energy consumption and productivity. The resulting minimum capture cost was determined to be 265.2 $/t-CO 2 , which aligns with expected values reported in the literature. Numerical results suggest the effectiveness of the optimization strategies applied, and underscore the importance of simultaneous decision variable selection in improving the performance in direct air capture processes. We also extend the modeling approach to a 2D axisymmetric model to better visualize CO₂ uptake and temperature profiles, revealing significant radial gradients during the regeneration step. As a main drawback, this enhanced model comes with a computational cost approximately 40 times higher than that of the 1D model.

Adsorption-desorption process↗

Effects of fiber dosage, loading orientation and stress on frequency response of enhanced Carbon Nano-Fiber Aggregates

Nanomaterial additives have been broadly used in cement and concrete-based sensors to measure the stress and strain in the structure. Most of the studies focused on measuring the resistivity of sensors with Direct Current (DC) or relatively low-frequency. Here in this work, the impedance responses of enhanced Carbon Nano-Fiber Aggregates (CNFAs) at different frequencies are rigorously studied and utilized as a tool for real-time structural health monitoring (SHM). The CNFA impedance measurements at different measurement frequencies provide an extra dimension (frequency dimension) to allow the characterization of different phenomena and multimodal measurements simultaneously. First, a comprehensive physical model is established to understand the frequency responses of the CNFA impedance. Second, COMSOL Multiphysics is used to simulate the frequency responses of the CNFA impedance, which provides more insights into the electric field and current density distribution. The impedance of CNFAs decreased with the increased dosage of carbon nanofibers (CNFs). Third, experimental studies are reported in detail. The electrical impedance variation (EZV) of the CNFA in parallel orientation is 151% higher than that of perpendicular orientation at the frequency of 2612 Hz and uniaxial compression stress of 4.65 MPa. The strain-EZV curve obtained from the response spectrum is linear for frequencies ranging from 98 Hz to 463.9 kHz. The strain-EZV curve for 5625 Hz has a linear fit with the gauge factor of 147.78. At 1000 Hz, the CNFA exhibited a repeatable behavior up to 9.35 MPa and detection limit up to the stress of 18.62 MPa.

36 MATERIALS SCIENCE↗