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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Numerical modeling of electromagnetic field spatiotemporal evolution to evaluate the effects on calcium carbonate crystallization

Calcium carbonate (CaCO 3 ) scaling is a significant impediment to water systems. Electromagnetic field (EMF) treatment is a promising approach to control scaling owing to its simplicity and low or no energy requirements. However, the underlying mechanisms by which EMF impacts CaCO 3 crystallization remain unclear due to the challenges in measuring the EMFs in feed solutions and the lack of a fundamental understanding of the applied EMFs and the observed physicochemical phenomena. To fill this knowledge gap, a high-fidelity COMSOL model was first developed to simulate EMFs in bulk solutions for three alternating current-induced EMF devices with different configurations and properties. These were then integrated with experimental data to unveil the underlying mechanism by which applied EMFs alter the physicochemical processes. The study revealed that even low-strength EMFs (e.g., electric fields <0.15 V/m and magnetic fields <0.03 mT) promoted CaCO 3 precipitation in bulk solutions. The electric fields created by these EMF devices resulted in higher Lorentz force compared to their induced magnetic fields. In conclusion, the methodology of this study offers the capability to predict the effectiveness of different EMF devices in facilitating crystallization processes, and these mechanistic insights lay the foundation for the smart design of EMF devices for diverse water treatment applications.

COMSOL simulation↗
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 OSTI2020

2-D moving mesh modeling of lithium dryout in open surface liquid metal flow applications

Liquid lithium displays increasing promise as a replacement for solid plasma facing components (PFCs) in fusion device applications. The Liquid Metal Infused Trench (LiMIT) system, developed at the University of Illinois (UIUC), has demonstrated how thermoelectric magnetohydrodynamics (TEMHD) can be harnessed to drive liquid lithium flow in an open surface PFC. However, in the highest heat flux applications, large local acceleration is created via TEMHD, and the sudden increase in velocity can cause the liquid level to expose the underlying solid, eliminating the protective benefits of the lithium. In order to study potential mitigation strategies, a 2-D COMSOL Multiphysics model was developed using the moving mesh module to capture free surface flow. The model depicts the development of the dryout phenomenon for 2 test cases – slow (1 cm/s) and medium (10 cm/s) flow in 5 mm deep trenches – including the liquid level reduction under the high heat flux and the pileup of slower flow both upstream and downstream of the heat stripe. The effectiveness of trench shaping dryout mitigation strategies is examined. For the slow flow case, it is shown that a 1.8 mm ledge placed under the heat stripe will stop dryout, and for the medium flow case, a 2.7 mm ledge is required to mitigate the effect. This model can be used to identify strategies for increasing the viable heat load for open surface liquid lithium PFCs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A hybrid numerical and machine learning framework for evaluating the performance of a 780 cm 2 aqueous organic redox flow battery

Aqueous organic redox flow battery (AORFB) is a promising cost-competitive technology for large-scale energy storage. Among existing work, the dihydroxyphenazine (DHP)-based AORFB has demonstrated high energy density and low capacity degradation in 10 cm2 cells during lab tests. However, its commercial-scale performance in more complex environments remains unknown, posing a barrier for commercialization. To address this gap, this work presents a comprehensive performance evaluation of a 780 cm 2 DHP-based AORFB by combining physics-based numerical model, machine learning (ML)-based surrogate models, and ML-derived sensitivity quantification. Specifically, we first select 12 key battery parameters that include 10 physicochemical quantities and 2 operation quantities, then select 6 performance metrics that include energy efficiency (EE), discharging capacity, charging energy, and power losses due to concentration, activation, and ohmic over-potentials. With such selection, 12800 combinations of the 12 parameters are subsequently generated using the Latin Hypercube Sampling method. These combinations, together with 38 pre-defined State of Charge, are then integrated to a validated AORFB model developed in COMSOL to compute the performance metrics. With both input parameters and performance metrics, 60 deep neural network (DNN) surrogate models are then trained to approximate the relationship between the 10 physicochemical quantities and 6 performance metrics at each flow rate and current density. Sensitivity scores are then calculated based on the DNN models. Two additional sensitivity analysis tools, i.e., MARS, and SHAP, are also used to cross-validate the sensitivity scores from the DNN. The results demonstrate that 1) the standard potential ranks the first in controlling EE and charging energy, 2) the membrane conductivity is most critical for power loss and EE, and 3) specific area and reaction rate control activation power loss.

25 ENERGY STORAGE↗
DOE OSTI2023

Progress towards the FRIB-EDM 3 -Frontend: A tool to provide radioactive molecules from isotope harvesting for fundamental symmetry studies

The under-construction FRIB-EDM 3 -instrument was designed to study polar radioactive molecules (such as RaF) in transparent cryogenic solids by laser spectroscopy. The instrument is divided into a frontend- and a backend section. The frontend accepts an aqueous sample from isotope harvesting and provides a mass-separated molecular ion beam in an ultra-high vacuum environment. In the backend, the ions are guided into alkali-metal vapor and the resulting neutrals are co-deposited in a solid argon matrix to perform laser spectroscopy. Here, this work addresses the frontend of the instrument. The efficient ionization of harvested radioisotopes from aqueous samples is achieved with a spray-ionization method. Subsequently, the molecular ion beam is analyzed by mass-to-charge ratio by a quadrupole mass filter. To verify the feasibility of the approach, numerical simulations with the COMSOL and SIMION packages have been conducted. While the former was applied to study transport in ion funnels, the latter was used to investigate ion beam transmission through the lower pressure sections. Following promising simulation results, a first experimental setup is under construction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Multiphysics modeling of printed surface acoustic wave thermometers

Surface acoustic wave (SAW) transducers are a class of sensors and actuators that operate on the fundamental principle of piezoelectricity. Aerosol jet printing and other additive manufacturing techniques have resulted in the low-cost fabrication of low-power and small-footprint SAW devices that are suitable for sensing in high-temperature and radioactive environments. In this work, we developed a series of temperature-dependent finite element models for a SAW transducer consisting of printed silver interdigitated transducers (IDTs) deposited onto piezoelectric lithium niobate. Modeling accuracy was evaluated experimentally from room temperature to 200 °C using an aerosol-jet-printed SAW thermometer. A time-domain study enabled visualization of the wave propagation and successfully guided the denoising of the scattering parameter measurement. Additionally, frequency-domain models using traditional modal analysis or the unique port boundary condition feature in COMSOL Multiphysics accurately predicted the temperature-driven natural frequency drift in the SAW thermometer. The finite element models developed in this study serve to facilitate the computer-aided design of future SAW transducers for applications in harsh environments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Predicting the effects of thermally-induced density gradients on the hydrodynamic behavior of PBX 9502

High explosives are often exposed to thermal and mechanical stimuli within normal and abnormal environments. These stimuli can introduce density gradients in the explosive charge but the effect of such gradients is not well-understood. The goal of this work is to develop a comprehensive methodology to model the evolution of density gradients under various thermal conditions and then to predict shock initiation and detonation behavior of the gradated sample. PBX 9502 was chosen for these scoping studies because it has a large coefficient of thermal expansion and because the available shock initiation data indicates that initial temperature strongly affects the shock-to-detonation transition (SDT). The multiphysics code COMSOL was first used to model induced density gradients in a slab of PBX 9502 with asymmetric heating. Then, the gradated sample was constructed in the Pagosa hydrocode to simulate steel flyer impact scenarios, with SDT and detonation propagation following a calibrated Scaled Uniform Reactive Front (SURF) burn model. Furthermore, the gradated material exhibited very different initiation and corner turning behavior compared to homogeneous materials, and the orientation of the gradation was also found to have some effect. The methodology used here can estimate thermomechanical response of the material for non-uniform thermal environments and compute the resulting detonation properties of the PBX.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Investigation of Anchor Link Magnetohydrodynamic Effects in the Toroidally Symmetric Lead-Lithium (TSLL) Blanket Concept

This paper presents a comprehensive study on the magnetohydrodynamic (MHD) flow in a slotted channel with a cylindrical anchor link, which is an imperative component of the toroidally symmetric lead-lithium (TSLL) blanket concept. Following the validation of the MHD solver implemented in COMSOL and a proposed subtraction approach to compute the anchor link pressure drop, the effects of computational domain size on the pressure drop and velocity distribution are examined. The results show that the pressure drop associated with the anchor link and the maximum flow velocity follow an asymptotic trend as the domain width increases, with wall-induced pressure drop being more dominant than that of the anchor link. The velocity distribution analysis revealed the formation of an internal boundary layer extending along the magnetic field direction, which is a unique feature of the investigated MHD flow. An estimation of the total MHD pressure drop associated with the array of anchor links under the TSLL blanket conditions suggests ~0.3 MPa, which is significantly lower than the recommended maximum allowable blanket pressure drop of 2 MPa. In conclusion, this work offers valuable insights into the anchor link–associated MHD phenomena and serves as a foundation for further development of the TSLL blanket concept for future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Structured large-pore foams improve thermal performance of LiMIT-style liquid lithium PFC

As magnetically confined fusion devices improve, the conditions at the walls become increasingly intense. Plasma facing components (PFCs) must withstand these extreme heat and particle loads without damage or degradation. Liquid lithium PFCs are known to be quite resilient, and the presence of lithium also serves to improve plasma properties. The liquid metal infused trench (LiMIT) concept is an open surface liquid lithium PFC design that has been tested extensively at the University of Illinois and in fusion devices around the world. LiMIT utilizes thermoelectric magnetohydrodynamics (TEMHD) to passively drive liquid lithium flow. This work demonstrates an extension of the LiMIT trench geometry to three dimensions. Additively manufactured large pore metallic foams maintain TEMHD drive while drastically improving heat flux handling and resistance to lithium dryout, a phenomenon where locally high TEMHD forces depresses the lithium level and exposes underlying solid structure. COMSOL multiphysics modeling of the system yields insight into the forces at play in dryout development, and shows the 3D structures can eliminate dryout. Here, low heat proof-of-concept experimental testing of the system matches computational results, and high heat flux electron beam tests more than double the proven operational range of a LiMIT-style PFC, to 6.8 MW m –2 , with no indications of dryout or impending damage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

On the Inductance of a Single-Channel Spark-Gap Switch for Pulsed Power Applications

In this paper, we derive an alternative expression for calculating the inductance of a single-channel spark-gap switch. We believe this new inductance expression provides greater clarity compared to other approaches. Interestingly, both the Rosa formula and the coaxial inductance formula, which are commonly used in such calculations, emerge as special cases of our new expression. To validate the proposed formula, we conducted COMSOL simulations that show excellent agreement with our theoretical predictions.

COMSOL↗
DOE OSTI2020

A Cold Moderator For Sub-Thermal Neutron Flux Enhancement at the RPI-LINAC

The importance of high-quality thermal neutron scattering kernels coupled with a lack of accurate sub-thermal total cross section data prompted researchers at Rensselaer Polytechnic Institute (RPI) to design a cold moderation system to enhance sub-thermal neutron flux (defined as flux below 5 meV), for nuclear data measurements at the RPI Gaerttner LINAC facility. Using a series of neutronic and heat transfer simulations obtained with MCNP and COMSOL, an optimized final design was produced. The final design exceeded current target sub-thermal neutron producing capabilities by a factor of 8 in the sub-thermal region and is easily configurable with existing neutron producing targets.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Utah FORGE Project 3-2417: Simulations for Distributed Acoustic Sensing Strain Signatures as an Indicator of Fracture Connectivity

This dataset encompasses simulations of strain signatures from both hydraulically connected and "near-miss" fractures in enhanced geothermal systems (EGS). The files and results are presented from the perspective of digital acoustic sensing's (DAS) potential to differentiate the two fracture types. This dataset was acquired by the FOGMORE R&D project (Fiber Optic Geophysical MOnitoring of Reservoir Evolution), under Utah FORGE R&D Project 3-2417. Included are simulation and results via MatLab and COMSOL files, as well as a thesis and paper summarizing the results. Some stimulated fractures may be incomplete, approaching but not intersecting the production well. These "near-miss" fractures can be addressed in future stimulation stages or re-stimulated to complete the connection. We propose the use of fiber optic distributed acoustic sensing (DAS) as a method by which near-miss stimulated fractures may be identified and distinguished from hydraulically connected fractures. The low-frequency sub-nanostrain signatures of both complete and near-miss fractures in DAS data are simulated in this study using a hydrogeomechanical discrete fracture network model. The spatial distribution of strain was found to be an accurate indicator. However, this indicator must be evaluated in the context of DAS gauge length and spatial sampling. These simulations are a precursor to tests conducted at FORGE in 2023.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

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↗
DOE OSTI2025

Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery

The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.

25 ENERGY STORAGE↗
DOE OSTI2022

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↗
DOE OSTI2024

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↗
DOE OSTI2022

Laser Welded Edge Seals for Glass/Glass Modules

Polymers used in module construction are often involved in degradation mechanisms and hamper recycling. This project explores femtosecond (fs) laser welding of glass/glass modules to enable polymer-free modules. We are utilizing the knowledge base of the industrial laser community to apply glass/glass fs laser welding technology to solar modules. Experimentally measured stress intensity factors for glass welds are input into a COMSOL model of a full-size module to test weld failure under static loading. If successful, fs laser welding could enable modules that are polymer-free that will extend module warrantees, allow hermetically sealed glass/glass modules for moisture-sensitive semiconductors, and improve module recyclability.

COMSOL finite element model↗
DOE OSTI2022

Fully Distributed Multi-Material Magnetic Sensing Structures for Multiparameter DAS Applications

This dissertation demonstrates the first of its kind distributed magnetic field sensor based on a fiber optic distributed acoustic sensing (DAS) scheme. Ferromagnetic nickel and Metglas® were dispersed internally within a fiber optic preform and then drawn on an in-house fiber optic draw tower to lengths in the kilometers. Due to the close proximity of the ferromagnetic metals and fiber optic core, the magnetostrictive strain response of the ferromagnetic materials when exposed to a magnetic field would perturbate within the fiber cladding and transfer that strain, internally, to the fiber optic core. Strain resulting from the magnetostrictive effect allows the DAS based sensor to accurately translate strain into readable magnetic field data. Due to the high sensitivity seen in this sensor design, multiparameter sources, acoustic and magnetic fields, were tested and validated and a three dimensional magnetic-field vector sensor was proposed. Numerical analysis of the novel sensor design was first implemented using COMSOL Multiphysics, where inputs such as magnetostrictive element shape, size, distance, and number were first investigated. Upon optimizing system constraints, the sensor design was further modified such that single mode operation was consistent across multiple fiber draws while retaining high strain transfer from the ferromagnetic elements to the fiber optic core. Ferromagnetic material selection was evaluated as a function of the saturation magnetostriction constants and a total of 4 modules were used to fully characterize the complex physics involved in this sensor design. All fabrication and testing were performed in-house using a full scale 3-story fiber draw tower and custom environmental testing stations to imitate naturally occurring events such as magnetic or acoustic point sources. A unique stacking method was used to embed ferromagnetic nickel and Metglas® into a fiber optic preform which when combined with a custom fiber draw process resulted in consistent multi-material fibers drawn to lengths of 1-km. In-house testing facilities included different types of electromagnetic generators, in addition to a soil test bed, and an outdoor test bed which allowed 100 meters of fiber to be tested simultaneously. All tested sensors demonstrated high strain transfer capabilities on the order of 0.01-10 μϵ depending on the materials used, ferromagnetic rod number, and core to metal spacing. Due to the sensitivity of the system the difference between AC and DC was distinct, and directional magnetostriction was studied. Transverse and longitudinal magnetic wave propagation was controlled through a solenoid and rectangular Helmholtz coil, both built in-house. A three-dimensional magnetic field vector sensor was proposed due to the success of the magnetic field sensor, and a design was proposed and initially tested to validate direction as a function of field strength and distance. To summarize, this dissertation explores the first fully distributed magnetic field sensor using DAS based techniques and one of the first multi-material fiber draw processes which can produce consistent single mode fiber up to 1-km. Due to extensive FEA modeling, multiple iterations of the magnetic sensor were fully characterized and an equation describing the relationship between sensor design and strain transfer has been created and validated experimentally. Multi-parameter tests including acoustic and magnetic fields were implemented and an algorithm was developed to separate the mixed signals. Finally, a test was performed to demonstrate the feasibility of sensing magnetic fields directionally. Cumulative results demonstrate a high-quality sensor alternative to current designs which may surpass other magnetic sensors due to innate multi-parameter capabilities, in addition to the inexpensive production cost and extremely long operating lengths.

02 PETROLEUM↗