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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantifying the thermal effect and methyl radical production in nanosecond repetitively pulsed glow discharges applied to a methane-air flame

In this work, we investigated non-equilibrium plasma produced by nanosecond repetitively pulsed glow discharges applied across a lean premixed methane-air flame. The flame is stationary, axisymmetric, and laminar. The discharges are applied on the symmetry axis crossing the reactant gases, flame front, and product gases, allowing phase-locked averaged measurements and comparisons with axisymmetric numerical simulations. The thermal effect and methyl radical production are quantified in the discharge in the reactant gas region. One-dimensional, two-beam, hybrid, femtosecond-picosecond, coherent anti-Stokes Raman scattering is used to acquire spatial and temporal profiles of temperature and oxygen-to-nitrogen concentration ratio. Photo-fragmentation laser-induced fluorescence is used to acquire quantitative two-dimensional profiles of methyl radicals in the discharge providing the first quantitative imaging of methyl produced ahead of a flame by plasma-induced methane dissociation. The spatial profiles of temperature and oxygen-to-nitrogen concentration ratio are in steady state, indicating that individual discharges have an insignificant heating effect. Upper and lower bounds of the produced mole fraction of methyl radicals in the plasma are obtained due to uncertainties in the collisional quenching rates of excited state methylidyne radicals in the plasma. The discharges produce a maximum of 600–1100 ppm of methyl radicals upstream of the flame front within 25 ns. This amount is similar to the predicted methyl mole fraction for the flame without plasma and thus represents a significant chemical perturbation to the reactants upstream of the flame front. The produced methyl follows an exponential decay in the first microsecond after the discharge with a decay constant of 8 µs close to the flame, and 0.8 µs further from the flame. The decay then deviates from the exponential curve and the methyl persists for tens of microseconds. The results suggest that for the tested configuration, the thermal effect of individual discharges through fast gas heating is negligible, while active chemical species are produced in large quantities in the reactant gases, upstream of the flame front.

hybrid fs-ps CARS↗
DOE OSTI2025

An Observational Evaluation of RKW Theory over the U.S. Southern Great Plains

The theory of Rotunno et al. (“RKW” theory) addresses the behavior of squall-line cold pools in vertically sheared flows. It predicts that, within a given thermodynamic environment, a balance between baroclinic vorticity generation by the cold pool and low-level environmental vertical wind shear induces an upright updraft along the gust front that maximizes the initiation of new convective cells. Although this theory has been evaluated numerically, its applicability to observed systems remains unclear and is limited by a lack of critical measurements, including high-frequency thermodynamic and wind profiles across the gust front. Herein, observations from the Atmospheric Radiation Measurement Southern Great Plains (ARM-SGP) observatory near Lamont, Oklahoma, are used to evaluate RKW theory for 10 well-observed squall lines over a 11-yr period. For this evaluation, RKW parameters including cold-pool intensity (c), low-level ambient, line-normal vertical shear (ΔV n ), subcloud and cloud-layer updraft tilts, and multiple measures of system intensity are estimated. Furthermore, the c estimates rely on thermodynamic retrievals from the Atmosphere Emitted Radiance Interferometer (AERI), which are uncertain but verify reasonably well against independent observations. As predicted by the theory, for c/ΔV n ≥ 1, c/ΔV n correlates positively with updraft tilt and negatively with system intensity, but these results are not always statistically significant and are also sensitive to the method by which ΔV n is evaluated. Specifically, ΔV n evaluations that extend above the cold-pool top yield greater consistency with RKW predictions. Also, some measures of intensity correlate more strongly with standard moist instability metrics than with RKW parameters.

Cold pools↗
DOE OSTI2025

Videos of Chemically Activated Frontal Polymerization of Thermosets

Video recordings of the frontal ring-opening metathesis polymerization (FROMP) of thermoset polymer specimens in 10mm glass test tubes were collected in order to measure the front speed resulting from varied front initiation methods. Maximum front temperature was also measured. Polymerization resins comprised of dicyclopentadiene (DCPD) with 5 wt% 5-ethylidene-2-norbornene (ENB) added, grubbs’ second generation catalyst, and tributyl phosphite (TBP) inhibitor (8000:1:1 monomer:initiator:inhibitor ratio). Polymerization fronts were triggered using concentrated solutions of grubbs’ third generation catalyst in various solvents.

Cramblitt, Anna C.↗
DOE OSTI2025

Planetesimal Impact Vapor Plumes and Nebular Shocks Form Chondritic Mixtures

The origin of chondrules and the chondritic sedimentary rocks that dominate the meteoritic record is a long-standing problem in planetary science. Here, we develop a physical model for the formation of chondritic mixtures as an outcome of vaporizing collisions between planetesimals that were dynamically excited by the growth and migration of planets. We present calculations of nebular shock waves generated by impact vapor plumes and focus on aspects of the plume interaction with the nebular gas and dust that have been neglected in previous studies of impact ejecta. We find that when water dominates the vapor, the plumes are relatively cool. However, the plume expansion is supersonic and can drive strong shock waves in the dusty nebular gas. Portions of these nebular shock fronts initially melt nebular dust, forming chondrules that are coupled to the moving front. As the shock front expands and cools, the chondrules solidify, while the shock front entrains additional dust. Eventually, the plume expansion stalls and then hydrodynamically collapses, turbulently mixing variably processed dust and size-sorted chondrules. For probable impact parameters and nebular conditions during giant planet growth and migration, the impact-generated mixtures have characteristics that span the range observed in chondritic meteorites, providing an environment for rapid formation of chondritic assemblages after chondrule formation. Our impact vapor and nebular shocks model, named the IVANS model, links chondrule formation to the overall context of planet formation and provides a framework for interpreting the detailed chronological and geochemical record contained in chondritic meteorites.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Investigation of Flux Spreading in a Light-Trapping, Planar-Cavity Receiver for Enclosed Solar Particle Heating

Concentrating solar thermal power (CSP) technology development has recently focused on increasing the operating temperatures to accommodate high efficiency power cycles and thermochemical processes. Inert solid particles as heat transfer media enable solar receivers to operate above 700 degrees Celsius resulting in increased system thermal efficiency compared to the conventional molten salt based CSP system. An open-cavity falling-particle solar receiver that can efficiently heat particles by direct heating from concentrated solar radiation faces challenges with large particle losses from wind and unable to support thermochemical reactions. A light-trapping, planar cavity reiver (LTPCR) where particles are indirectly heated can significantly minimize the particle losses during the operation, support thermochemical reactions, and offer scalability potential. The LTPCR features an array of vertical planar receiver/absorber panels arranged within a cavity configuration. Concentrated solar radiation from heliostats is focused onto the receiver walls, where heat is indirectly transferred to solid particles flowing inside the receiver channels. Heat transfer occurs through direct contact between the receiver panel walls and particles, and can be enhanced by fluidizing particles with air. This fluidization increases particle-wall contact and extends particle residence time, maximizing heat transfer efficiency. The unique vertical planar receiver structure originated from a near-blackbody tubular light absorber, effectively distributing the incoming solar beam spread across the panel walls and trapping light. This flux spreading effect, driven by cosine projection, converts high incident solar flux into a lower, more uniform heat flux on the panel walls. This redistribution enhances heat transfer efficiency between particle-wall or reaction gases-wall, while preventing localized overheating of the receiver panel. Indirect planar cavity solar receivers completely separate solid particles from the ambient environment that can greatly reduce the thermal losses in heated particles resulting in high efficiency at high temperatures above 700 degrees Celsius. This design ensures no particle losses to the environment during the operation while open-cavity designs can experience significant particle losses from wind. An experimental investigation was conducted to observe flux spreading on the receiver panel wall. A lab-scale prototype planar receiver, fabricated using Haynes 230 alloy, was tested under direct concentrated solar radiation using the high-flux solar furnace (HFSF) facility at NREL. The experiment was performed under normal peak radiative heat fluxes ranging from 800 to 1900 kW/m2. A temperature distribution on the panel wall was measured using a thermal imaging camera (FLIR A 6600). To prevent overheating at the receiver front tip, prism-shaped heat shields (Zircar UNIFROM C1) were placed in front of the receiver, and their influence on flux spreading was also studied. Absorbed flux distribution on the panel wall was modeled using SolTrace. The total solar power and flux distributions delivered from HFSF were determined based on the heliostat mirror optical properties, direct normal irradiance (DNI) on the on-sun testing days, peak flux measurement during the on-sun testing, and shutter/attenuator settings Due to the large incident angles of the solar beam on the panel wall, the angular optical properties of Haynes 230 alloy and Zircar heat shields were incorporated into the model. This flux distribution model was then integrated into a computational fluid dynamics (CFD) simulation to predict the receiver panel wall temperature, which was compared with the experimental measurements. Both prediction and measurements identified a temperature hotspot at the backside of the panel, indicating that the incident solar beam can fully reach to the rear of the receiver. The heat shields positioned at the front of the receiver effectively reduced the excessive temperature rise at the receiver front tip. Overall, the temperature was well distributed over the panel wall, with a minor hotspot at the back of the receiver. The model slightly overpredicted the temperature, possibly due to discrepancies in optical properties of the panel and an underprediction of thermal loss in the receiver. The advancement of the particle LTPCR offers a viable alternative to open-cavity receivers by addressing particle loss issues. Additionally, it presents a pathway for enabling solar thermochemical processes, extending CSP technology beyond power generation to fuel and chemical production.

14 SOLAR ENERGY↗
DOE OSTI2024

Surrogate Model Guided Optimization of Expensive Black-Box Multi-Objective Problems: A Posteriori Methods

Many engineering applications require the simultaneous optimization of multiple conflicting objective functions. Often, these objective functions are evaluated using highly accurate computer simulations that are computationally too expensive to be evaluated hundreds or thousands of times during optimization. Thus, the goal is to find good approximations of the Pareto front using as few of these expensive simulations as possible. Here, we describe an optimization approach based on surrogate models and diverse sampling strategies to accelerate the search for the Pareto solutions. We use a separate surrogate model for approximating each objective function and then we use the surrogate models to inform where additional expensive simulations should be run. The surrogate models are updated in an active learning framework whenever new information from the expensive simulations becomes available. The sampling strategies aim at balancing local improvements of the approximate Pareto front and global exploration to identify the extrema and fill in large gaps of the approximate Pareto front. We demonstrate on a large set of benchmark problems the effectiveness of the method for finding good approximations of the Pareto front.

MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Status of the Mu2e calorimeter readout electronics

The Mu2e experiment [1] at Fermilab will search for the neutrino-less coherent conversion of a muon into an electron in the field of a nucleus. Mu2e detectors comprise a straw tracker, an electromagnetic calorimeter and a veto for cosmic rays. The calorimeter employs 1348 Cesium Iodide crystals readout by silicon photomultipliers and fast front-end and digitization electronics. The front-end electronics consists of two discrete readout circuits (AMP-HV) for each crystal. These provide the amplification, shaping stage and linear regulation of the SiPM bias voltage and monitoring. The SiPM and front-end control electronics is implemented in a battery of mezzanine boards each equipped with an ARM processor that controls a group of 20 Amp-HV circuits distributing the low voltage and the high-voltage. The electronic is hosted in crates located on the external surface of calorimeter disks. The crates also host the waveform digitizer board (DIRAC) that performs digitization of the front end signals and transmit the digitized data to the Mu2e DAQ. Calorimeter electronic is hosted inside the cryostat and must sustain very high radiation and magnetic field so it was necessary to fully qualify it. The system design and quality assurance procedures will be reviewed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Morphogenic Growth 3D Printing

Inspired by nature's morphogenesis, a new 3D printing process –growth printing (GP)– takes advantage of a self‐propagating curing front to produce 3D polymeric parts following a growth‐like development plan. The propagation of the curing front is driven by the exothermic polymerization of dicyclopentadiene (DCPD), which transforms the liquid resin into a stiff polymer as it propagates at 1 mm s −1 . GP is triggered when a heated initiator contacts the uncured liquid resin in an open container. The initiator nucleates the frontal polymerization reaction and the isotropic radial propagation of the growth front. Simultaneously, the initiator is moved up across the free surface of the resin, pulling the cured object out of the uncured resin. The motion trajectory of the initiator with respect to the free resin surface controls the growth morphology of the 3D part. An inverse design algorithm is developed to produce 3D parts by modeling the reaction‐diffusion‐driven solidification process. This process has substantial energy savings and high printing speeds.

3D printing↗
DOE OSTI2025

Bias‐Dependent Quantum Efficiency Reveals Recombination Pathways in Thin Film Solar Cells

Identifying where recombination predominantly occurs—whether at the front interface, back interface, or throughout the bulk—is crucial for optimizing CdSeTe solar cells and many other photovoltaic device architectures. Here, a simple and effective diagnostic is demonstrated: measuring external quantum efficiency (QE) under varying forward biases. The drift–diffusion simulations reveal that each recombination pathway leaves a distinct bias-induced signature in the normalized QE: a progressive drop at long wavelengths for back-limited devices, a short-wavelength decline for front-limited devices, and a relatively uniform decrease across all wavelengths for bulk-limited devices. These predictions are validated with experiments on As-doped and Cu-doped CdSeTe devices, with and without passivation layers or different front buffers. In each case, the observed bias-dependent QE spectral changes align with the simulated recombination map. Because this method uses standard QE instrumentation, it offers a broadly accessible and cost-efficient means to diagnose recombination pathways—extending beyond CdSeTe to other thin-film and emerging solar cell technologies. By pinpointing recombination bottlenecks, researchers and manufacturers can strategically refine doping profiles, passivation schemes, and interface designs to further improve device performance.

CdTe↗
DOE OSTI2023

Atomic Dynamics of Multi‐Interfacial Migration and Transformations

Redox-induced interconversions of metal oxidation states typically result in multiple phase boundaries that separate chemically and structurally distinct oxides and suboxides. Directly probing such multi-interfacial reactions is challenging because of the difficulty in simultaneously resolving the multiple reaction fronts at the atomic scale. Using the example of CuO reduction in H 2 gas, a reaction pathway of CuO → monoclinic m-Cu 4 O 3 → Cu 2 O is demonstrated and identifies interfacial reaction fronts at the atomic scale, where the Cu 2 O/m-Cu 4 O 3 interface shows a diffuse-type interfacial transformation; while the lateral flow of interfacial ledges appears to control the m-Cu 4 O 3 /CuO transformation. Together with atomistic modeling, it is shown that such a multi-interface transformation results from the surface-reaction-induced formation of oxygen vacancies that diffuse into deeper atomic layers, thereby resulting in the formation of the lower oxides of Cu 2 O and m-Cu 4 O 3 , and activate the interfacial transformations. In conclusion, these results demonstrate the lively dynamics at the reaction fronts of the multiple interfaces and have substantial implications for controlling the microstructure and interphase boundaries by coupling the interplay between the surface reaction dynamics and the resulting mass transport and phase evolution in the subsurface and bulk.

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

Surrogate-driven design optimization with uncertainty constraints in Monte Carlo simulations

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying the design process. However, under high uncertainty, surrogate models trained on noisy data can produce inaccurate predictions, as their performance depends heavily on the quality of training data. This study investigates the impact of data uncertainty on two multi-objective design problems modelled using Monte Carlo transport simulations: a neutron moderator and an ion-to-neutron converter. For each, a grid search was performed using five different tally uncertainty levels to generate training data for neural network surrogate models. These models were then optimized using NSGA-III. The recovered Pareto-fronts were analyzed across uncertainty levels: in the moderator problem, normalized hypervolume dropped from 0.886 at 1.0% uncertainty to 0.748 at 10% uncertainty, while in the converter problem it remained near 0.50 for all cases. Average simulation times were also compared to evaluate the trade-off between accuracy and computational cost. Results show that the influence of simulation uncertainty is strongly problem-dependent. In the neutron moderator case, higher uncertainties led to exaggerated objective sensitivities and distorted Pareto-fronts, reducing normalized hypervolume. In contrast, the ion-to-neutron converter task was less affected—low-fidelity simulations produced results similar to those from high-fidelity data. These findings suggest that a fixed-fidelity approach is not optimal. Surrogate models can recover the Pareto-front under noisy conditions, and multi-fidelity studies help identify suitable uncertainty levels for each problem to balance efficiency and accuracy.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Low-cost fin-tube heat exchanger design for building thermal energy storage using phase change material

Heat transfer in phase change materials (PCMs) is complex because the melting and freezing fronts change as functions of stored or released heat. In prior attempts to optimize heat exchangers (HXs) in one or two dimensions, complex geometry has often been used to maximize the melt and freeze front area. This complex geometry is difficult and hence expensive to construct. This paper proposes a multiple-scale 3D finite element modeling approach to design fin-tube HXs for low-cost latent thermal energy storage applications. Further, the optimal fin and tube designs were determined at three scales (unit-scale, medium-scale, and large-scale) by modeling the melt and freeze front in three dimensions and using measured bulk thermal properties. The finite element model was validated by comparing it with the experimental data for a referenced design of a similar type. The results indicate that commercially available organic PCMs with low conductivity (<0.3 W/m·K) can have charge and discharge times appropriate for building thermal energy storage (i.e., 4–5 h) with fin-tube HX designs at costs <$26/kWh, even when the temperature difference (5.56°C) between the heat transfer fluid and the PCM phase change temperature is small. However, as the HX increases in length, the temperature reduction along the tube limits some larger-scale designs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Enhanced passivation and stability of negative charge injected SiN x with higher nitrogen content on the boron diffused surface of n-type Si solar cells

This paper explores the potential of the negatively charged SiN x using plasma charge injection technology to passivate the front textured boron-diffused emitter of n-type Si solar cells. The high-x value single SiN x layer with x ≥ 1.30 (x = N/Si) previously developed for the planarized rear-side passivation of p-type silicon solar cells, with an excellent passivation and charge stability, was found to be unacceptable for the passivation on the front textured boron emitter of n-type cells due to a severe bulk lifetime degradation issue. Therefore, in this study, we investigated a new concept of depositing a dual-x SiN x with a low-x SiN x layer (x~1.01) on top of a high-x SiN x layer (x~1.30) for passivation of the front textured rough surface of boron diffused emitter in n-type cells. Here, the optimized dual-x SiN x stack reveals the promise of charge retention for more than 25 years in field operation as well as excellent passivation of boron-doped emitter without bulk lifetime degradation. N-type cells with the optimized dual-x SiN x after charge injection show comparable cell performance to Al 2 O 3 passivated reference cells. The results of cell-level light stability tests using one-cell minimodules exhibit cell performance decay characteristics similar to the traditional Al 2 O 3 /SiN x passivated reference module.

14 SOLAR ENERGY↗
DOE OSTI2026

Optimization of Annealing for WZ-Phase Removal and Densification in Sb-Doped CdSexTe1-x Solar Cells

The impact of high temperature annealing (HTA) treatments on the performance of Sb-doped CdSeTe solar cells containing a CdSe0.25Te0.75/CdTe front stack and a vapor transport (VT) deposited CdTe:Sb absorber was studied. The HTA treatment of the thermally evaporated CdSe0.25Te0.75/CdTe front stack converts the mixed-phase film into a single zinc blende structure through recrystallization of the photo-inactive wurtzite phase. Subsequently, HTA treatment of the full device stack after vapor transport deposition of CdTe:Sb absorber promotes Se-Te intermixing, reduces voids, densifies the full stack and enhances CdTe:Sb grain growth. Comprehensive characterizations revealed that the combined HTA treatments significantly improved film crystallinity, removed the WZ phase in the front stack, enhanced full-stack densification, reduced defect densities, and enhanced carrier dynamics. With HTA treatments, the open-circuit voltage (VOC) of CdSeTe:Sb devices increased from ~ 400 mV to >= 600 mV, and when combined with optimized CdCl2 treatment, VOC reached 849 mV. The net carrier concentrations (NA-ND) of representative devices were NA-ND = 1.5 x 10^15, 1.1 x 10^15, and 3.5 x 10^14 cm-3 for the no-HTA, moderate-HTA, and optimized high-VOC conditions, respectively. Since the highest VOC corresponds to the lowest apparent NA-ND, , which is similar to a Cu-doped-only CdSeTe solar cell (NA-ND ~= 2 x 10^14 cm-3), the data indicate that improved device performance does not result from increased electrically active Sb; instead, it points to structural improvement as the dominant effect of HTA. The findings demonstrate the potential of HTA treatments to improve the structural and electrical properties of CdSeXTe1-X solar cells.

14 SOLAR ENERGY↗
DOE OSTI2025

Unsteady- and Steady-State Relative Permeability Study with X-ray and Acoustic Monitoring for CO 2 Storage in Deep Saline Aquifers

In this study, we link the multiphase flow measurements with controls of sedimentary structures (e.g., heterogeneity and anisotropy) on relative permeability to variations in ultrasonic velocities for two deep saline aquifer formations (Entrada and Bluff Sandstones) in the San Juan Basin of the Southwestern USA. The rock specimens were extracted from outcrop sites near Durango, CO, USA. They have distinct differences in grain size, cementation composition, and individual chemical amounts, despite both formations being eolian sandstones. We performed a series of unsteady- and steady-state CO 2 -brine relative permeability experiments under capillary-controlled displacement rates. Unsteady-state experiments were conducted at 71 °C and 9.65 MPa; steady-state experiments were conducted at 85 °C and 22.8 MPa and 89 °C and 24.1 MPa for the Bluff and Entrada Sandstones, respectively. During the unsteady experiments, X-ray computed tomography was used to visualize multiphase flow in porous media and quantify saturations during brine drainage under various flow rates. Scan images and saturation profiles indicate that the CO 2 distribution in the pore volume was strongly impacted by the presence of high-angle cross-laminations, heterogeneous rock structure, and direction of bedding orientation. Those factors contribute to dramatic and quick initial breakthroughs and affect the overall saturation dynamics. Steady-state relative permeability tests were conducted at net flow rates of 1 mL/min for both brine drainage and imbibition. During the experimental steps, the CO 2 fractional flow was increased and decreased for both drainage and imbibition scenarios to mimic the front when CO 2 contacts brine and behind the front when brine enters space previously occupied by CO 2 . It was found that compressional velocity decreased, while shear waves slightly increased as brine saturation decreased. The hysteresis effects for the relative permeability and acoustic velocities were distinct. Furthermore, the CO 2 /brine front stability is quantified by applying a mobility ratio approach to spot saturations at which the boundary line between fluids becomes uneven. The results presented in this work can potentially boost the quality and precision of forecasts for the CO 2 storage projects in which the vertical and horizontal core-scale heterogeneity and anisotropy impact the plume migration within host reservoirs.

carbon dioxide (CO2)↗
DOE OSTI2026

ALD-Derived WO 3– x Leads to Nearly Wake-Up-Free Ferroelectric Hf 0.5 Zr 0.5 O 2 at Elevated Temperatures

Breaking the memory wall in advanced computing architectures will require complex 3D integration of emerging memory materials such as ferroelectrics─either within the back-end-of-line (BEOL) of CMOS front-end processes or through advanced 3D packaging technologies. Achieving this integration demands that memory materials exhibit high thermal resilience, with the capability to operate reliably at elevated temperatures, such as 125°C, due to the substantial heat generated by front-end transistors. However, silicon-compatible HfO 2 -based ferroelectrics tend to exhibit antiferroelectric-like behavior in this temperature range, accompanied by a more pronounced wake-up effect, posing significant challenges to their thermal reliability. Here, we report that by introducing a thin tungsten oxide (WO 3–x ) layer─known as an oxygen reservoir─and carefully tuning its oxygen content, ultrathin Hf 0.5 Zr 0.5 O 2 (5 nm) films can be made robust against the ferroelectric-to-antiferroelectric transition at elevated temperatures. This approach not only minimizes polarization loss in the pristine state but also effectively suppresses the wake-up effect, reducing the required wake-up cycles from 10 5 to only 10 at 125°C, a qualifying temperature for back-end memory integrated with front-end logic, as defined by the JEDEC standard. First-principles density functional theory (DFT) calculations reveal that WO 3 enhances the stability of the ferroelectric orthorhombic phase (o-phase) at elevated temperatures by increasing the tetragonal-to-orthorhombic phase energy gap and promoting favorable phonon mode evolution, thereby supporting o-phase formation under both thermodynamic and kinetic constraints.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Active light-controlled frontal ring-opening metathesis polymerization

Frontal ring-opening metathesis polymerization (FROMP) is a promising energy-efficient approach to fabricate polymeric materials. Recent advances have demonstrated FROMP for diverse applications, including additive manufacturing, composites, and foams. However, the characteristic properties of the front are currently controlled primarily by varying the resin composition or the environmental conditions. In this work we present an approach to control FROMP of dicyclopentadiene (DCPD) using photochemical methods. A photobase generator is used to inhibit FROMP of DCPD with UV light while a photosensitizer and co-initiator are used to accelerate FROMP with blue light, enabling orthogonal active photocontrol of front velocity. In addition, photoinhibition-enabled lithographic patterning of frontal polymerizations is demonstrated. Frontal polymerizations are spatially controlled, redirected, and even split into diverging fronts. This work establishes a foundation for advanced control of frontal polymerizations, enabling innovation in traditional and additive manufacturing, as well as emerging processes like morphogenic manufacturing.

Polymer synthesis↗
DOE OSTI2025

Real-time process monitoring and automated control for direct ink write 3D printing of frontally polymerizing thermosets

Additive manufacturing (AM) enables the fabrication of complex geometries, yet its application to thermosets remains limited by post-processing requirements. Frontal ring-opening metathesis polymerization (FROMP) offers a promising alternative, enabling energy-efficient, in situ curing of freestanding thermoset structures. This study presents a real-time process monitoring and automated control system for direct ink writing (DIW) of FROMP thermosets. By integrating thermochromic leuco dyes and computer vision, we enable real-time polymerization front tracking, allowing autonomous printing parameter adjustments for consistent geometries across resin formulations. The system’s accuracy was validated against manual tracking, demonstrating precise front velocity detection. Its adaptability was confirmed by printing freestanding mechanical springs with different resins, achieving consistent geometries and mechanical properties despite front velocity variations. These findings highlight the potential of automated DIW control for scalable, repeatable, and material-agnostic 3D printing of thermosets.

Mejia, Edgar Brian [Sandia National Laboratories (↗