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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

COMSOL Simulation of Optical Whispering Gallery Mode (WGM) Resonator

We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.

42 ENGINEERING↗
DOE OSTI2025

COMSOL Simulation of Optical Whispering Gallery Mode (WGM) Resonator

We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.

Xiaoyu, Chen [Fermilab]↗
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 OSTI2025

Finite element modeling of electropolishing of radio frequency dipole Nb crab cavity in hydrofluoric-sulfuric acid electrolyte

The superior performance of niobium superconducting radio frequency (SRF) cavities is achieved through meticulous surface treatment, notably via chemical electropolishing, ensuring exceptionally smooth surfaces. While this technique has been extensively employed for cylindrically symmetric structures, addressing more intricate geometries poses significant challenges in achieving uniform polishing and controlled material removal, especially when moving away from retractable cathodes. This presents a multifaceted electrochemical, thermal, and fluid dynamics conundrum. A prime example is the 197 MHz radio frequency dipole (RFD) crabbing cavity proposed for the Electron Ion Collider (EIC) project, exemplifying such complex structures. Our groundbreaking work integrates the localized oxide thickness variation, considering its impact on current distribution and Joule heating, within the framework of multi-physics modeling using the COMSOL® simulation suite. This approach was applied to a comprehensive model of the RFD cavity, allowing us to investigate optimal external cooling water flow conditions necessary for achieving desirable outcomes. In conclusion, this illustrates the increasing utility of such multi-physics codes to greatly aid in designing solutions to challenging processing requirements for increasingly complex accelerator cavities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Integration of CeO 2 -Based Memristor with Vertically Aligned Nanocomposite Thin Film: Enabling Selective Conductive Filament Formation for High-Performance Electronic Synapses

The CeO 2 -based memristor has attracted significant attention due to its intrinsic resistive switching (RS) properties, large on/off ratio, and great plasticity, making it a promising candidate for artificial synapses. However, significant challenges such as high power consumption and poor device reliability hinder its broad application in neuromorphic microchips. To tackle these issues, in this work, we design a novel bilayer (BL) memristor by integrating a CeO 2 -based memristor with a Co-CeO 2 vertically aligned nanocomposite (VAN) layer and compare it with the single layer (SL) memristor. Preliminary electrical testing reveals that the BL memristor offers a reduced set/reset voltage (~67% lower), a higher on/off ratio (~5 × 10 2 ), enhanced device reliability, and improved device-to-device variation compared to the SL memristor. Insight from COMSOL simulation, coupled with microstructural analysis, provides a comprehensive elucidation on how the VAN layer facilitates the selective conductive filament (CF) formation. Subsequently, the plasticity of the BL memristor is evaluated through long-term potentiation/depression (LTP/LTD), paired-pulse facilitation (PPF), and spike-time-dependent plasticity (STDP). The spiking neural network (SNN) built upon the BL memristor achieves remarkable accuracy (~94%) after only 12 iterations, underscoring its potential for high-performance neural networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Spatially programmed alignment and actuation in printed liquid crystal elastomers

Liquid crystal elastomers (LCEs) exhibit reversible shape morphing behavior when cycled above their nematic-to-isotropic transition temperature. During extrusion-based 3D printing, LCE inks are subjected to coupled shear and extensional flows that can be harnessed to spatially control the alignment of their nematic director along prescribed print paths. Here, we combine experiment and modeling to elucidate the effects of ink composition, nozzle geometry, and printing parameters on director alignment. From rheological measurements, we quantify the dimensionless Weissenberg number ( Wi ) for the flow field each ink experiences as a function of printing conditions and demonstrate that Wi is a strong predictor of LCE alignment. We find that director alignment in LCE filaments printed through a tapered nozzle varies radially when Wi < 1, while it is uniform when Wi ≫ 1. Based on COMSOL simulations and in operando X-ray measurements, we show that LCE inks printed through nozzles with an internal hyperbolic geometry exhibit a more uniform director alignment for a given Wi compared to those through tapered nozzles. Concomitantly, the stiffness along the print direction and actuation strain of printed LCEs increases substantially under such conditions. By varying Wi during printing through adjusting the flow rate “on the fly”, LCE architectures with uniform composition, yet locally encoded shape morphing transitions can be realized.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modelling the brittle failure of graphite induced by the controlled impact of runaway electrons in DIII-D

The thermo-mechanical response of an ATJ graphite sample to controlled runaway electron (RE) dissipation, realized in DIII-D, is modelled with a novel work-flow that features the RE orbit code KORC, the Monte Carlo particle transport code Geant4 and the finite element multiphysics software COMSOL. KORC provides the RE striking positions and momenta, Geant4 calculates the volumetric energy deposition and COMSOL simulates the thermoelastic response. Brittle failure is predicted according to the maximum normal stress criterion, which is suitable for ATJ graphite owing to its linear elastic behavior up to fracture and its isotropic mechanical properties. Measurements of the conducted energy, damage topology, explosion timing and blown-off material volume, impose a number of empirical constraints that suffice to distinguish between different RE impact scenarios and to identify RE parameters which provide the best match to the observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Low Temperature CO2 Capture from an NGCC Flue Gas Using a Magnetically Stabilized, Inductively Heated Fluidized Bed Reactor

The lab sorbent testing finalized the sorbent composition and operating conditions for the integrated unit. The bench unit design included COMSOL simulation to finalize the coil design and select initial operating conditions of the power supply system. Fluidized bed testing with the induction heating verified that a heating efficiency of up to 90% can be achieved. The integrated bench unit operations provided valuable data confirming the feasibility of using induction heating for the desorption of CO2. Major challenge observed was the limited working capacity of the sorbent, requiring additional development in future projects. In addition, a large-scale reactor demonstration is required to mitigate the risk of uniform temperature distribution and heating efficiency over a large cross-sectional area when using induction heating.

Tong, Andrew↗
DOE OSTI2024

eCoral: How Electrolysis Could Restore Seawater Conditions Ideal for Coral Reefs

Coral reefs suffer from climate change, including long-term ocean acidification (OA) and warming and short-term bleaching, tropical storms, and pollution events, all of which are increasing in frequency and severity. It is urgent yet unclear how to intervene to save coral reefs. Reversal of the ocean pH to preindustrial levels could restore coral reefs to their preindustrial growth rates; however, strategies to reverse OA on environmentally relevant scales have not been established. Anecdotally, electrolysis seems to help coral reefs recover from acidification and short-term events, but few uncontrolled studies support such claims. Here, using two independent continuum simulation approaches (COMSOL and CrunchFlow), we show the effect of electrolysis on seawater chemistry relevant to coral reef survival and growth. We conclude that near the negative electrodes, the cathodes, seawater pH, supersaturation, and carbonate concentration all increase significantly. Electrolysis of seawater, therefore, can be used to restore preindustrial ocean conditions locally to save coral reefs, an approach termed eCoral here. We anticipate these simulation results to be the starting point for controlled experiments to test whether seawater electrolysis promotes coral reef growth and restoration, as these simulations predict.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Design and development of optical modules for the BUTTON-30 detector

BUTTON-30 is a neutrino detector demonstrator located in the STFC Boulby underground facility in the north-east of England. The main goal of the project is to deploy and test the performance of the gadolinium-loaded water-based liquid scintillator for neutrino detection in an underground environment. This will pave the way for a future large-volume neutrino observatory that can also perform remote monitoring of nuclear reactors for nonproliferation. This paper describes the design and construction of the watertight optical modules of the experiment.

COMSOL simulations↗
DOE OSTI2024

Implementing a Laser Stabilization System for Trapping Ca+ Ions: an Internship Reflection

At Lawrence Livermore National Laboratory, I contributed to a project developing 3D printed micro ion traps for quantum computing. I designed, implemented, and assessed a laser stabilization system that locked lasers to the frequencies required for calibrating our High Finesse WS8-10 wavelength meter and for laser cooling and trapping of Ca+ ions. I also programmed a Python interface for hardware communication, data collection, and statistical analysis. Additionally, I optimized and aligned laser beam paths, and I implemented a closed digital feedback loop using Proportional, Integral, and Derivative (PID) control parameters. I analyzed both the long-term and short-term behavior of our locked lasers and adjusted PID parameters to enhance performance. Furthermore, I used COMSOL to simulate the capacitance of a linear Paul trap design and predict our trap’s performance. The procedures I developed for the interface, analysis, and simulations will continue to support the ion trapping experiment after my appointment. I strengthened my skills in data analysis, Python coding, and optical alignment for laser systems. My confidence as a researcher grew, particularly in communicating my research. This experience taught me the importance of careful planning and consideration in research and solidified my desire to continue exploring novel quantum technology as an undergraduate

42 ENGINEERING↗
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 OSTI2026

Dielectric Resonator Design for Low Power and Low Temperature Microwave Plasma

Waveguide-based microwave plasmas generally operate at high temperatures (2000 - 6000K)[1], making it difficult to directly interface solid materials with the plasma without significant thermal damage. Dielectric microwave resonators (DMRs), long studied for wave-based manipulation of electromagnetic radiation for telecom and optics, can focus radiation to extremely small mode volumes, creating intense localized fields with low-power input.[2] This phenomenon can be used for applications ranging from efficient plasma electronics to near-ambient plasma-materials interactions. Such DMR-based plasmas have been demonstrated a handful of times in the literature, but the majority of research towards this utilize the lowest frequency resonance mode.[3], [4], [5] By carefully controlling the geometry of cylindrical resonators, a variety of electromagnetic modes can be excited. In this work, COMSOL Multiphysics simulations are used to study the electric field enhancement and absorption properties of CaTiO3 DMRs as a function of geometry and excitation frequency. Whereas previous studies have utilized the HEM111 resonance frequency to drive low power plasma excitation, we find that higher order resonance frequencies are more effective at field enhancement and result in less power loss within the dielectric material, hence less wasted heating. The effectiveness of these modes is also geometry dependent and can be computationally optimized for plasma generation. Complementing these computational efforts, we demonstrate a new closed-system reactor design built in a WR-650 waveguide and experimentally demonstrate the formation of atmospheric argon microwave plasma using < 30 W input power on DMR dimers. We observe a shifting resonance frequency as the DMRs heat in response to microwave excitation and develop a Python-based lock-in mechanism to effectively track the DMR resonance over time, leading to stable plasma operation. We use infrared thermal imaging to monitor the temperature of the DMR dimers and surrounding quartz chamber, demonstrating thermal temperatures < 60 degreesC. Finally, we utilize optical emission spectroscopy (OES) to probe the plasma properties as a function of the resonance mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

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 on a superconducting qubit can decay, releasing energy into the substrate, producing phonons. Phonon-induced quasiparticles then 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 visualize electric field configuration and model ion transport to finalize design of a device to increase radon plate-out on qubit chips.

Kay, Dax [Fermilab; Northwestern U.]↗
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 OSTI2026

Enabling microbial electrolysis cell scale-up via electrochemistry-, hydrodynamic-, and microbial ecology-informed framework

Microbial electrolysis cells (MECs) can produce green hydrogen while removing organic contaminants from liquid waste streams by leveraging the metabolic activity of electroactive microorganisms. Despite their potential in a sustainable, circular economy, large-scale MECs that can treat relevant volumes of wastewater have failed to deliver performance proportional to their lab-scale counterparts. The reason behind this lower performance at scale remains unclear. Here, in this study, we developed a combined electrochemistry-, hydrodynamic-, and microbial ecology-informed framework to analyze and optimize MEC performance during scale-up, enabling accurate quantification of major limitations and the identification of strategies to overcome them, ultimately facilitating equivalent performance at scale. Applying this framework to the scale-up of a zero-gap MEC from 9 cm 2 electrode area to 100 cm 2 electrode area, resulted in similar maximum current densities in a 100 cm 2 MEC (21.7 ± 1.1 A/m 2 ) compared to a 9 cm 2 system (25.1 ± 2.7 A/m 2 ), as well as equivalent hydrogen production rates of 69.3 L/L-d (100 cm 2 ) and 67.7 ± 2.4 L/L-d (9 cm 2 ). COMSOL flow dynamics simulations were used to scale up the reactor configuration without negatively affecting electrolyte velocity and distribution in the cell, minimizing the increase in internal resistances during scale-up (11.7 ± 0.5 mΩm 2 at 9 cm 2 ; 19.7 ± 1.3 mΩm 2 at 100 cm 2 ). Microbial community structures were assessed at both scales using high-throughput sequencing, highlighting the differences of populations across electrode dimensions and operational parameters. The framework presented here accelerates the development of effective strategies toward the scale-up of MECs by furthering the understanding of how electrochemical, hydrodynamic, and microbial ecology parameters change as the reactor dimension is increased. Ultimately, this approach contributes to advancing electrochemical biotechnology toward practical deployment in energy-efficient wastewater treatment systems.

Flow path↗
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

COMSOL Results for the Nominal Steady-State Operation of the Proposed 95-MW LEU Silicide Core for HFIR Conversion

Engineering design studies are being performed to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel at Oak Ridge National Laboratory. This activity is sponsored by the Office of Reactor Conversion and Uranium Supply (ORCUS) under the auspices of the US Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. HFIR is a very high flux, pressurized, light water–cooled and moderated, flux trap–type research reactor with a core made of involute shaped U 3 O 8 /Al cermet fuel plates and coolant channels. HFIR currently operates at a thermal power of 85 MW and supports key national and international missions in neutron scattering, isotope production, materials/fuels irradiation, neutron activation analysis, gamma irradiation, and neutrino research. Advanced multiphysics computational fluid dynamics models have been developed in the COMSOL Multiphysics software to simulate the steady-state operating conditions for the proposed low-and high-density LEU U 3 Si 2 -Al (uranium silicide dispersion) fuel designs. The COMSOL models for HFIR inner and outer fuel element models incorporate various essential inputs and physics such as spatially dependent nuclear heat deposition, multilayer heat conduction, conjugate heat transfer, turbulent flows (using Reynolds-averaged Navier Stokes turbulence models), structural mechanics (thermal–structural interactions and fuel swelling), and oxide layer build-up. This report presents the best-estimate thermal hydraulics results for the low- and high-density optimized silicide LEU core designs at 95 MW steady-state nominal operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗