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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Multiphysics Modeling of Electrode Dissolution under Hydrodynamic Conditions in Low Conductivity Water

Efficient plug-flow electrochemical reactors are characterized by their ability to effectively convert species with significant ionic strength and/or with the assistance of a well-behaved electrolyte. Because of the classic electroconductivity requirement, electrochemical reactors are not particularly attractive options for applications with low-conductivity conditions, especially for low-pressure feeds. However, these reactors can still find application in dedicated processes such as ultra-clean water conditioning and biological-coupled separation systems. Consequently, a multi-physics model was developed using COMSOL Multiphysics to characterize different reactor-design conditions based on the Tertiary Current Distribution which accounts for the effects of expected variations in electrolyte composition and ionic strength on the electrochemical process, as well as solution resistance and electrode kinetics. The modelling framework presented here employs single-phase laminar fluid flow, the Nernst-Planck equation, the water-based electroneutrality condition, and concentration-dependent overpotentials. This investigation particularly explores the electrolysis process of “anodic dissolution,” in which elemental species dissociate from the solid matrix of the electrode and enter the liquid phase of the electrolyte as soluble ions. The reactor configuration of interest has a rectangular parallel-electrode design and is operated galvanostatically. A series of parametric studies are carried out to inspect the response of the system when hydrodynamic, kinetic, and geometric conditions are changed. The parametric sweep resulted in variable effluent concentrations and system voltage, which reveal underlaying optimization patterns for electrode dissolution in low conductivity water.

Multiphysics↗
NASA NTRS2014

Multiphysics Modeling of an Annular Linear Induction Pump With Applications to Space Nuclear Power Systems

An annular linear induction pump (ALIP) that could be used for circulating liquid-metal coolant in a fission surface power reactor system is modeled in the present work using the computational COMSOL Multiphysics package. The pump is modeled using a two-dimensional, axisymmetric geometry and solved under conditions similar to those used during experimental pump testing. Real, nonlinear, temperature-dependent material properties can be incorporated into the model for both the electrically-conducting working fluid in the pump (NaK-78) and structural components of the pump. The intricate three-phase coil configuration of the pump is implemented in the model to produce an axially-traveling magnetic wave that is qualitatively similar to the measured magnetic wave. The model qualitatively captures the expected feature of a peak in efficiency as a function of flow rate.

Kilbane, J.↗
DOE OSTI2025

Precise magnetic field mapping of the EMPHATIC Phase 1 magnet with COMSOL

A compact Halbach array magnet is used to measure the momentum of the secondary particles in EMPHATIC(Experiment to Measure the Production ofHadrons At a Test beam InChicagoland). Hall probe data was taken for the central cylindrical bore of the magnet and a field map was constructed. COMSOL Multiphysics® Software is used for modeling the magnet and constructing the corresponding magnetic field map. Here, we present a fitting approach where the hall probe data is used to determine a 1mm-spacing map of the entire volume of the magnet using COMSOL. The new map will allow for linear interpolation within the volume, and expand the map to outside the measurement volume, thus increasing the acceptance and precision of EMPHATIC's tracking system.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Calculating the space-charge-limited current density for nonplanar geometries by simulating the charge-free electric field

Calculating the space-charge-limited-current density (SCLCD) for a complicated diode geometry often requires computationally expensive particle-in-cell (PIC) codes. Here, this paper addresses this issue by using the charge-free electric field $E_0$ calculated using COMSOL Multiphysics to determine local and global SCLCD. The SCLCD obtained by using the surface average of $|E_0|^2$ on the cathode recovers theoretical results for one-dimensional (1D) planar, cylindrical, and tip-to-tip geometries in appropriate limits. We next compared tip-to-tip calculations with the SCLCD obtained using the PIC code Empire. The SCLCD calculated using COMSOL agreed well with Empire for flatter 1D tip-to-tip geometries and diverged with increasing sharpness. Physically, Empire predicts lower SCLCD than COMSOL because the electrons spread due to concentrated space-charge at the tip, whereas theory assumes that the electrons follow the charge-free electric field lines. We further assess the behavior of the SCLCD for tips protruding from the centers of flat, circular plates of various areas. Larger plate areas with constant tip size recover the 1D planar SCLCD globally and 1D tip-to-tip SCLCD locally, while reducing the difference between Empire and COMSOL calculations since larger plates capture more of the emitted electrons, reducing SCLCD suppression due to beam spreading. These results show that charge-free electric field simulations can be used to determine the SCLCD without needing to simulate particle dynamics in PIC.

Wright, Jack K. [Purdue Univ., West Lafayette, IN ↗
DOE OSTI2026

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↗
NASA NTRSDate not supplied

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↗
NASA NTRS2016

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.↗
DOE OSTI2025

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↗
DOE OSTI2025

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↗
DOE OSTI2024

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↗
DOE OSTI2025

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↗
DOE OSTI2024

Coupling thermal energy storage with a thermally anisotropic building envelope for building demand-side management across various US climate conditions

Here, the thermally anisotropic building envelope (TABE) is a novel active building envelope that enhances energy efficiency and thermal comfort in buildings by transferring heat and cold between building envelopes and hydronic loops. When coupled with thermal energy storage (TES) units, the TABE + TES enables the storage of both heat and cold energy captured by the TABE roof or exterior walls. This stored energy can be later released by the TABE floor for indoor heating and cooling, benefiting both the grid and the end user. This paper evaluates the merits of TABE + TES for building demand-side management across various US climate conditions, focusing on peak load shaving, annual energy savings, and cost savings under time-of-use (TOU) electric rate schedules. Simulations were conducted by integrating time-of-day–informed, rule-based control strategies in MATLAB, TABE components and TES units in COMSOL Multiphysics, and whole-building energy analysis in EnergyPlus. A case study using the US Department of Energy’s prototype single-family detached house model in Birmingham, Alabama; Los Angeles, California; Oak Ridge, Tennessee; and Denver, Colorado, showed that the TABE + TES system achieved (1) 70 % peak load shaving in Los Angeles and Denver and 20 % in Birmingham and Oak Ridge; (2) significant peak electricity savings of 351–497 kWh, reducing peak energy consumption by 38 %–78 %; and (3) annual heating cost savings of 0.79 $\$$/m2–1.17 $\$$/m 2 and cooling cost savings of 0.60 $\$$/m 2 –1.17 $\$$/m 2 using a normal utility rate or low-TOU rate. The benefits of employing the TABE + TES system are even more significant under high TOU rates.

25 ENERGY STORAGE↗
DOE OSTI2025

Construction of 3D MHD pressure drop correlation and flow characterization in the contraction region of a fusion blanket manifold

Inlet and outlet manifolds are typical components of liquid metal (LM) blanket designs of a fusion power reactor to be used to distribute the LM flow into breeding channels and collect it at the exit of the blanket. High pressure loss in the magnetohydrodynamic (MHD) flows featuring abrupt geometrical changes is one of the main feasibility issues of such designs. Recently, optimization studies were conducted to construct 3D MHD pressure drop correlations for a LM flow in an electrically insulating manifold with gradual expansion. Here, the 3D computational approach developed in that study is applied to the outlet manifold featuring gradual contraction. A systematic analysis was performed with a total number of 135 flow cases computed with COMSOL Multiphysics for Hartmann numbers 1000 < Ha < 10,000, Reynolds numbers 100 < Re < 12,000, and contraction angles 45° < θ < 75° for a fixed contraction ratio of 4. The effects of Ha, Re and θ on the flow recirculation, development length and the total pressure drop were carefully examined. A linear regression analysis was used to determine the power rule of pressure drop coefficient k related to Ha and Re, demonstrating a good match with the Ludford layer theory. Eventually, a correlation for the 3D MHD pressure drop coefficient was constructed as a function of Ha, Re and θ. Further, the results were compared against the inlet manifold. It was found that the flow in the inlet manifold exhibits larger recirculation zones. In the investigated range of Ha, Re and θ, the pressure drop coefficient k of the LM MHD flow in the gradual contraction is only slightly lower (< 8 %) than that in the gradual expansion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Improved internal short circuit models for thermal runaway simulations in lithium-ion batteries

Thermal runaway (TR) modeling is one of the primary tools that can be used to overcome challenges associated with lithium-ion battery (LIB) safety. Among all LIB accidents that have occurred over the past decade, Internal Short Circuit (ISC) remains the most common trigger mechanism. Many available models in the literature either use a simplified approach to simulate ISC or completely ignore its contribution. The aim of this study is to understand the nature of the heat released for different types of ISC scenarios, including aluminum-anode, anode–cathode, and copper-cathode ISC. We study ISC behavior using a coupled electrochemical–thermal model with an integrated TR chemical kinetics solver built in the COMSOL Multiphysics framework. The time duration of heat release and the magnitude of the peak ISC current are studied as functions of parameters such as the size of the penetrating filament and the capacity of the cell. The numerical results are used to build an empirical model validated against the published experimental TR propagation data. Our model can be successfully used as a viable low-cost substitute in lower order (lumped) TR simulations to enable TR prevention and mitigation.

Singh, Bakhshish Preet (ORCID:0000000264751992)↗
DOE OSTI2025

Simulations of the fault current limiting operation of a long-length REBCO CORC ® superconducting cable cooled by helium gas

Conductor-on-round-core (CORC®) cables composed of rare-earth-barium-copper-oxide high-temperature superconducting (HTS) tapes are of great interest for power transmission applications due to their many advantages such as high power density, light weight, and low loss. Closed circulation loops of cryogenic helium gas can be used to cool HTS cables down to low temperatures to significantly improve their current-carrying capacity. Coupled circuit-electromagnetic-thermal finite element simulations implemented in the COMSOL Multiphysics package were developed, validated, and then used for simulating the fault current limiting (FCL) performance and the cooling processes of an 8-layer CORC® cable cooled with a flow of cryogenic helium gas. In the simulations, the temperature dependence of the electrical and thermal properties of all component materials is implemented for improved accuracy. To overcome computational challenges caused by the considerable difference in geometrical scales (i.e. few-µm-thick HTS layers versus 10 m-long HTS cable), the model is divided into two separate simulations. The first simulation is performed on the transverse cross-section of the cable to calculate the electric field, heating power and temperature rise in each component of a CORC® cable during FCL operation. The heating power calculated in the first simulation is transferred to the second model to simulate the cooling of a 10 m-long cable after the fault is cleared. The effect of the helium gas flow rate on the cooling process is also investigated to develop strategic approaches for optimizing cooling systems for HTS cables with FCL capability. The simulations indicated that a 40 ms fault with a voltage drop of 20 V m −1 along the cable can result in a temperature increase from 60 K to about 165 K inside the cable, and it takes about 500 s to cool the cable back to nearly 60 K with a flow of cold helium gas at a rate of 5 g s −1 .

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Novel Full-Ceramic Multi-Tubular Membrane Systems for Pre-Combustion CO2 Capture with Simultaneous H2 Production: Fabrication, Performance Testing, and 3D CFD Modeling

Inorganic membranes show promise for application in pre-combustion CO2 capture with simultaneous H2 production. State-of-the-art systems for use under high temperature and pressure conditions consist of multiple membrane tube bundles prepared in a "candle-filter" configuration, in which the membrane tubes are open at one end and sealed at the other. This configuration is used for practical reasons, specifically the need to minimize potential problems due to thermal expansion mismatch, at high temperatures, between the ceramic tube bundle and the steel housing. The primary technical problem with the candle-filter configuration for use in commercial-scale installations is the inability to purge the permeate side (typically the tube side), a feature that is crucial for high H2 recovery. In this study, we fabricated dual-end open, commercial-size ceramic multiple-tube bundles made of zeolite, palladium (Pd), and carbon molecular sieve (CMS) membranes that enable permeate-side (tube-side) purge for gas separation applications. Experimental gas separation data with these membrane bundles under harsh operating conditions (temperatures up to 350 and pressures up to 800 psig), to be presented at the meeting, manifest excellent performance. Parallel to the membrane bundle construction and testing efforts, we have also developed a detailed 3D CFD modeling package using COMSOL Multiphysics software to gain more insight into the effect on the H2 purity and recovery of the detailed geometry of the multi-tubular membrane system, including the number of tubes used, their dimensions, and placement in the bundle, as well as the number, type, and positioning of internal baffles and other flow-enhancement accessories. The CFD package is validated with experimental data from different systems (1-tube, 3-tube, and 19-tube bundles), and shows high accuracy in predicting the experimental results (<5 % error in all cases). The results of our study show that the detailed internal geometry of these multi-tubular membrane systems has a considerable impact on the performance of the system as the flow maldistribution within the shell-side can substantially decrease (>40%) the H2 recovery.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Increasing Radon Daughter Plate-out onto Superconducting Qubits

Radon daughter plate-out may pose a fundamental limitation to realizing large-scale superconducting quantum computers. Radon daughters plated-out onto a superconducting qubit chip can decay, releasing energy into the substrate, producing phonons. Phonon induced quasiparticles generate bit flip errors and reduce coherence times. We seek to increase plate-out on chips to enable future study of the impact of Radon on coherence times. In this project, we utilize COMSOL Multiphysics simulations to finalize design for a device to increase radon plate-out.

Kay, Dax [Northwestern U.]↗
DOE OSTI2025

Aerodynamic Characterization of 3D Scanned Wind Turbine Blades Using Experimental and Computational Methods

This study presents an aerodynamic characterization of 3D scanned wind turbine blades using both experimental and computational methods. The research was conducted by Gulf Wind Technology and Sandia National Laboratories. The primary objective was to investigate the aerodynamic impacts of leading-edge manufacturing defects on wind turbine blades. The study utilized the Stratasys NEO 800 3D Printer for high-precision manufacturing and the GWT Accelerator Wind Tunnel for experimental testing. Computational simulations were performed using COMSOL Multiphysics to model the wind tunnel and analyze flow characteristics and OpenFOAM to study the aerodynamic impacts of leading-edge defects. OpenFAST was used to estimate how these defects can lead to revenue losses for wind farm operators as high as 6%. The results demonstrated significant aerodynamic performance variations due to defects, with detailed analysis provided through wind tunnel and CFD data. The findings contribute to the understanding of defect impacts on wind turbine blade performance and offer insights for future design improvements.

17 WIND ENERGY↗