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177 records · Page 9

Probing Operando Electrochemical Strain Generation in α-NaFeO 2 Composite Cathodes during Cycling of Na-Ion Batteries

The transition metal oxide (TMO) cathodes in Na-ion batteries suffer from low-capacity retention. Chemo-mechanical instabilities lead to the deterioration of the electrochemical performance of TMO cathodes in Li-ion batteries. However, there is not much known about the chemo-mechanical instabilities in the TMO cathodes for Na-ion batteries. Understanding the governing forces behind the interplay between the electrochemical performance and mechanical stability in TMO cathodes is critical for the development of Na-ion batteries. Here, we synchronize the digital image correlation (DIC) technique with electrochemical analysis to capture the real-time deformation behavior of the α-NaFeO 2 cathodes during cycling. When the charge cutoff voltage is 3.6 V, the cathode experiences reversible deformations (except for the first cycle). There is negative strain (shrinkage) generation during Na extraction and positive strain (expansion) generation during the subsequent Na insertion. A detailed analysis of the potential-dependent strain rate evolution points out complicated phase transformations and nonequilibrium conditions in the α-NaFeO 2 cathodes during cycling. When the charge cutoff voltage was increased to 4.2 V, there was a rapid capacity loss and large plastic deformations in the α-NaFeO 2 cathodes. We provide an in-depth discussion about the possible mechanisms behind the chemo-mechanical instabilities in the α-NaFeO 2 . In conclusion, the correlation is critical to develop material-based strategies to mitigate instability mechanisms in TMO cathodes for Na-ion batteries.

Wable, Minal [University of Maryland Baltimore Cou

Envelope-driven comfort risk in residential demand response

Residential demand response (DR) is a valuable resource for grid reliability, but remains challenging because the highly heterogeneous residential building stock leads to widely varying and hard-to-predict load and comfort responses during DR events. Although prior research has estimated the technical potential of DR-capable technologies for achieving energy demand savings, little is known about how they affect thermal comfort. In particular, it remains unclear how indoor thermal conditions due to DR depend on the thermal envelope characteristics of the housing stock. To address this gap, this study provides a systematic, location-specific assessment of indoor thermal performance during DR-events across the US housing stock using both typical DR weather data and detailed building metadata. We evaluate how envelope characteristics influence indoor temperatures during realistic simulated summer and winter DR events across 37 US locations, applying both temperature threshold and rate of temperature change criteria to estimate region-level probabilities of discomfort. Additionally, we show the impact of distinct weather patterns that intensify or abate thermal stress on comfort outcomes. Results show a near-universal overheating risk in summer DR events, where comfort outcomes are strongly influenced by rapid risk of comfort violations. In contrast, overall winter DR discomfort risk is lower, risk escalation is more gradual and shows greater sensitivity to event duration. These findings offer a data-driven quantification of comfort risk across diverse climates and building envelopes, demonstrating the need for region-specific DR scheduling and discomfort mitigation strategies tailored to local weather patterns and the performance of existing residential buildings.

Demand response

Fabrication of freeform potassium dihydrogen phosphate crystals by belt-on-wheel polishing for spatially tailored polarization control in high-power lasers

Large-aperture (>30 cm) optical components that provide spatially tailored control of the properties of a laser beam, such as phase, polarization, and amplitude, have been the focus of much research and development in recent years. Such optics can improve energy throughput and target implosion efficiency in high-power laser systems conducting inertial confinement fusion research. Here, a method is demonstrated for fabricating freeform surface topographies into the birefringent crystalline material, potassium dihydrogen phosphate (KDP). Belt-on-wheel polishing with an oil-based fluid, developed to mitigate the deliquescent properties of KDP, is used to deterministically polish a freeform topography into KDP, enabling the fabrication of a wave plate with spatially arbitrary retardance. Testing of the laser-induced damage threshold of belt-on-wheel polished KDP was conducted at a wavelength of 351 nm and a pulse duration of 1 ns. The results revealed that the polished surfaces are highly resistant to laser-induced damage, making them suitable for large-aperture, high-power laser applications.

Urban, Nathaniel D. [Univ. of Rochester, NY (Unite

Reduction of baseplate distortion during directed energy deposition using compliant features

Distortion in additive manufacturing (AM) remains a barrier to its adoption in precision industries. Baseplate warpage is one such issue which compromises the feasibility of post-process precision machining. The restriction to thermal contraction of the deposited part, imposed by the baseplate, generates bending moments, that in turn causes warpage. A novel distortion mitigation strategy using baseplates with integrated compliant features, which enables thermal contraction of the build is presented. Six unique design concepts are evaluated, including a solid reference, using two deposition geometries. A laser, hot-wire, directed energy deposition (DED) process is used to deposit a symmetric cylindrical part (C-part) and a T-shaped asymmetric part (T-part). Flatness deviation of baseplates is measured using structured light 3D scanning. Measurements reveal a reduction in net flatness deviation of 58.8% for the C-part and 40.9% for the T-part, compared to the solid reference. While most designs yielded reductions exceeding 30% and 20% for the C- and T-parts, respectively, one configuration resulted in increased deviation. Finite element (FE) simulations are performed to elucidate the underlying mechanisms affecting distortion of compliant baseplates during DED. Despite variations between predictions and measurements, agreement in the general trend is observed. It also revealed that initial flatness errors in baseplates significantly affect its deviation during deposition. Predictions indicate that compliant features significantly affect the thermal distribution as well as the evolution of flatness deviation in the baseplate during deposition. Notably, one design exhibited a reduction in distortion during cooling, following its initial increase during deposition. FE predictions show a maximum reduction of 60.9% and 38.8% in net flatness deviation for the C- and T-parts, respectively. The performance of compliant baseplates is found to be governed by both its the thermal and mechanical characteristics, which are crucial factors to be considered during design.

Mathews, Ritin [ORNL] (ORCID:0000000301440828)

The Contaminant Footprint of Landed Spacecraft: Toward an Inventory and Modelling Framework

All spacecraft generate and carry contaminants, i.e., unwanted and potentially harmful material. When a spacecraft lands and operates in near-vacuum, as onto Earth’s Moon, it introduces contaminants into its environment that may compromise mission science objectives and engineering performance. Contamination of solar system bodies may irrevocably degrade targets of unique value to planetary scientists, for instance, as lunar landed spacecraft introduce propellant effluents into the otherwise pristine ice of the Moon’s permanently shadowed regions. NASA’s planetary protection discipline seeks to ensure that solar system bodies are not contaminated, for scientific purposes, by terrestrial material (i.e., forward contamination). This interest aligns with planetary science interest in mitigating the transport of terrestrial contaminants onto solar system bodies and in controlling types of contamination that could compromise the scientific value of samples or measurements. NASA, and other entities that practice planetary science, have compelling and multidisciplinary interests in the preservation of special regions and sampling sites of high scientific value – including lunar permanently shadowed regions (PSRs) – from inadvertent contamination by any spacecraft, and in understanding the contamination of such regions by all spacecraft. Organic molecular contamination here represents a primary threat. Organic molecules will be introduced to solar system bodies by nominal landed spacecraft and crew processes – including by the action of descent and ascent engines; natural materials outgassing; and crew environmental and life support system sources. Molecular contaminants can also travel in the free-molecular sense at global scale across near-vacuum bodies, including into regions where they may be permanently trapped. This presentation will address a high-level study to identify sources of contaminants – in particular, organic material – generated by landed spacecraft along with the transport vectors by which these contaminants can reach sites of scientific interest on bodies like the Moon. A vision for an integrated modeling framework for the organic contamination footprint of spacecraft missions, individually and collectively, will also be described and presented along with initial conclusions related to organic molecular transport.

Gas Dynamics

Machine learning pipeline for denoising low signal-to-noise ratio and out-of-distribution transmission electron microscopy datasets

High-resolution transmission electron microscopy (HRTEM) is crucial for observing material’s structural and morphological evolution at Angstrom scales, but the electron beam can alter these processes. Devices such as CMOS-based direct-electron detectors operating in electron-counting mode can be utilized to substantially reduce the electron dosage. However, the resulting images often lead to a low signal-to-noise ratio, which requires frame integration that sacrifices temporal resolution. Several machine learning (ML) models have been recently developed to successfully denoise HRTEM images. Yet, these models are often computationally expensive, and their inference speeds on GPUs are outpaced by the imaging speed of advanced detectors, precluding in situ analysis. Furthermore, the performance of these denoising models on datasets with imaging conditions that deviate from the training datasets has not been evaluated. To mitigate these gaps, we propose a new self-supervised ML denoising pipeline specifically designed for time-series HRTEM images. This pipeline integrates a blind-spot convolution neural network with pre-processing and post-processing steps, including drift correction and low-pass filtering. Results demonstrate that our model outperforms various other ML and non-ML denoising methods in noise reduction and contrast enhancement, leading to improved visual clarity of atomic features. Additionally, the model is drastically faster than U-Net-based ML models and demonstrates excellent out-of-distribution generalization. The model’s computational inference speed is in the order of milliseconds per image, rendering it suitable for application in in-situ HRTEM experiments.

36 MATERIALS SCIENCE

Scientific Highlights and Status of the Mars Science Laboratory Mission, Years 9 through 12

We present the scientific highlights and status from years 9-12 of NASA’s Mars Science Laboratory mission, with its Curiosity rover. A thermochemolysis-based sample analysis revealed a variety of organic molecules preserved in clay mineral-rich lake/lake margin deposits of the Glen Torridon region. The stratigraphically higher clay-sulfate mineral transition on Aeolis Mons was found to be associated with a lithological change from lacustrine to dry aeolian depositional environments. Water intermittently returned to the surface after the increase in aridity, including during the deposition of wave ripple strata which indicate a climate capable of sustaining an ice-free lake in the early Hesperian. The overlying Mg sulfate-bearing unit has both poly- and monohydrated Mg sulfates and is also enriched in iron carbonate of a purity consistent with chemical sedimentation and therefore atmospheric sequestration. A channel-incised canyon within Gediz Vallis and distal alluvial deposits recorded numerous fluvial and debris flow events after the deposition, lithification, and erosion of the clay- and sulfate-bearing units. Bright clasts found in Gediz Vallis canyon are composed of native sulfur. The investigation of the modern atmosphere and environment focused on the influence of the crater and mountain topography and captured high-altitude noctilucent and iridescent clouds. Radiation monitoring now spans an 11-year solar cycle. Rover systems and science instruments remain capable of addressing mission scientific objectives. All ten scientific instruments continue to return high-value data despite degradation of the Chemistry and Camera instrument’s high-voltage system, loss of multispectral imaging capability, and loss of active neutron spectroscopy. The mission has mitigated the loss of redundant brakes on two arm joints, additional wheel wear, and highly reduced capability of the redundant flight computer. Efficiency improvements in rover energy utilization and operations staffing have allowed the mission team to maintain a high level of productivity despite declining rover power generation and funding.

Mars

Quantifying System Strength From Grid-Forming Resources Using Frequency Scan Approach: Preprint

Current industry practices for quantifying the system strength contribution from grid-forming (GFM) resources to ensure stability of power systems dominated by inverter-based resources (IBRs) are primarily based on iterative electromagnetic transient (EMT) time-domain simulation studies. While feasible, these approaches are resource-intensive, lack scalability and intuition, and might not evaluate the system strength contribution over the entire frequency range of interest. This paper introduces a novel, frequency-domain approach to quantify system strength support provided by a GFM resource using frequency scans. The proposed method uses transfer functions from the grid voltage magnitude (V) and phase (?), respectively, to the reactive (Q) and active power (P) output of a GFM resource for quantifying its contribution to system strength. These transfer functions provide a direct measure of the ability of a GFM resource to behave as a stiff voltage source behind a reactance over a specified frequency range, enabling robust quantification of its system strength contribution. The key innovation of this work is the development of a frequency domain system strength metric called the dynamic short-circuit ratio (dSCR) that is suitable for IBR-dominated power systems and is directly related with the familiar short circuit ratio (SCR) metric. The new metric, dSCR, enables the assessment of system strength contributions from both synchronous machines and converter-based GFM resources using a unified benchmark, which is not possible with the traditional SCR metric. The paper also demonstrates how impedance scans could identify if an unstable condition observed during weak grid conditions is a result of the lack active or reactive power support or both. By leveraging the proposed frequency-domain dSCR metric for quantifying system strength contribution from GFM IBRs, the paper demonstrates targeted mitigation strategies for weak grid instabilities without resorting to repeated, time-consuming time-domain simulations. The result is a scalable and efficient approach to remediate stability challenges in power systems with high shares of IBRs and accelerating the integration of GFM technologies for system strength support in power systems.

24 POWER TRANSMISSION AND DISTRIBUTION

Laser Forming of Sheet Metal for In-Space Manufacturing Applications

As the in-space economy matures, the migration of typically Earth-bound manufacturing methods, such as metal forming and joining, up to space will be required to meet the increasing demand for refueling and supply depots, habitats, laboratories, lunar surface structures, and sites for deep-space exploration shipbuilding. Only in this way can the magnitude of individual structures begin to exceed what can be launched, deployed, docked, or inflated and allow true economies of scale to be unlocked in space. However, typical terrestrial methods of forming and shaping sheet metal require massive machinery with the ability to deflect reaction forces to a large mass in a fixed reference frame (Earth). To both limit up-mass required for manufacture and to mitigate the issues of reaction forces in the relative reference frames of space, a non-contact, laser-based method of forming metal sheet is proposed. NASA Marshall Space Flight Center (MSFC), in cooperation with DARPA and the University of Florida (UF), have begun investigation of non-contact methods of laser forming sheet metal in thermal vacuum (TVAC) conditions to great success. To date, several grades of aluminum, stainless steel, and titanium coupons have been formed via laser-induced internal stresses in these metals at both ambient atmosphere and vacuum conditions. Temperatures in these tests ranged from -120 to 60 C, and though the total energy required to induce strain does vary with workpiece temperature and environmental pressure, the method remains predictable and controllable for the materials investigated. It is believed that this method will revolutionize manufacturing in-space as it not only continues to build upon the capabilities of the laser (sensing, marking, cutting, drilling, joining, and now forming) as an all-in-one tool, but also reduces the need to counteract forming forces as would be required in mechanical bending. In theory, all required stress to induce bending is generated through thermal gradient and strain within the workpiece, meaning that the need for reaction control and fuel expense on-orbit will be limited. Archimedes once stated, “Give me a lever long enough and a fulcrum on which to place it, and I shall move the world”. With a laser as our lever and our workpiece its own fulcrum, we can move the world’s manufacturing into space.

Laser

WRF-Comfort: simulating microscale variability in outdoor heat stress at the city scale with a mesoscale model

Abstract. Urban overheating and its ongoing exacerbation due to global warming and urban development lead to increased exposure to urban heat and increased thermal discomfort and heat stress. To quantify thermal stress, specific indices have been proposed that depend on air temperature, mean radiant temperature (MRT), wind speed, and relative humidity. While temperature and humidity vary on scales of hundreds of meters, MRT and wind speed are strongly affected by individual buildings and trees and vary on the meter scale. Therefore, most numerical thermal comfort studies apply microscale models to limited spatial domains (commonly representing urban neighborhoods with building blocks) with resolutions on the order of 1 m and a few hours of simulation. This prevents the analysis of the impact of city-scale adaptation and/or mitigation strategies on thermal stress and comfort. To solve this problem, we develop a methodology to estimate thermal stress indicators and their subgrid variability in mesoscale models – here applied to the multilayer urban canopy parameterization BEP-BEM within the Weather Research and Forecasting (WRF) model. The new scheme (consisting of three main steps) can readily assess intra-neighborhood-scale heat stress distributions across whole cities and for timescales of minutes to years. The first key component of the approach is the estimation of MRT in several locations within streets for different street orientations. Second, mean wind speed and its subgrid variability are downscaled as a function of the local urban morphology based on relations derived from a set of microscale LES and RANS simulations across a wide range of realistic and idealized urban morphologies. Lastly, we compute the distributions of two thermal stress indices for each grid square, combining all the subgrid values of MRT, wind speed, air temperature, and absolute humidity. From these distributions, we quantify the high and low tails of the heat stress distribution in each grid square across the city, representing the thermal diversity experienced in street canyons. In this contribution, we present the core methodology as well as simulation results for Madrid (Spain), which illustrate strong differences between heat stress indices and common heat metrics like air or surface temperature both across the city and over the diurnal cycle.

Geology

Timing the Flames: Geostationary Satellite Detection of Diurnally Shifting Stubble Burning in Northwestern India

Post-monsoon open-field stubble burning in northwestern (NW) India—a key agricultural region known as the “breadbasket”—is a longstanding practice used to clear fields. Satellite observations spanning over two decades have revealed significant upward trends in crop production, vegetative greenness, and the frequency of post-harvest fires, with this last contributing to hazardous air quality during the peak burning season (mid-October to mid-November). Since 2022, thermal anomaly data from Aqua-MODIS and SNPP-VIIRS sensors have shown a sharp decline in reported fire events—an observation that contrasts starkly with the concurrent rise in regional aerosol loading detected from space. This apparent discrepancy became particularly pronounced in 2024–2025, prompting a closer examination using high-temporal-resolution imagery from the Advanced Meteorological Imager (AMI) on the geostationary satellite GEO-KOMPSAT-2A. These observations revealed a clear spike in fire-related signals occurring around and after 4:00 p.m. local time, i.e., outside the typical noon to 2:00 p.m. detection window of the MODIS and VIIRS. A fire detection algorithm exploiting the fire-sensitive shortwave-infrared 3.8 μm signal and its contrast to 11.2 μm infrared observations is designed to adopt AMI observations and applied to its multi-year observations (2019–2025). The resulting fire dataset unambiguously shows a gradual shift in stubble burning activity toward the late afternoon hours beginning in 2022 which is underreported by polar-orbiting satellites. The orbital drift of NASA’s MODIS sensor on the Aqua platform allows detection of some of the gradually shifting fires during afternoon hours, but the MODIS still misses a large number of fires occurring around and after 4 p.m. The AMI’s relatively coarse spatial resolution (~4 km), a consequence of its slant viewing geometry over NW India, imposes inherent limitations on quantifying the full extent of fire occurrences. The operational air quality forecasting models currently assimilate satellite fire detections predominantly captured during early afternoon overpasses of the MODIS and VIIRS. The temporal shift in fire activity complicates such forecast, leading to a substantial underestimation of emissions. Intense stubble burning and the resulting air pollution highlight the need for effective crop residue management practices for mitigating the frequency of open biomass burning and thereby reducing episodic degradation of air quality and its associated public health and economic impacts.

post-monsoon stubble burning; northwestern India;

AC and DC Fault Management for Megawatt Electrified Aircraft Electrical Powertrains - Task 2: Power Quality Filtering Using Nanocrystalline Soft Magnetic Inductor

The NASA RTAPS program on AC and DC Fault Management for Megawatt Electrified Power Train is a multi-year joint project with Pratt & Whitney (P&W), Collins Aerospace (CA), and RTX Technology Research Center (RTRC). This research program focuses on the high-voltage distribution issues that present a significant technological obstacle in the adoption of Electrified Aviation Propulsion (EAP) systems. One challenge to the adoption of high-voltage distribution systems with power electronic converters is the need for filter elements to limit the generation and propagation of noise, protect the cable systems from premature aging and prevent against excessive heating within subcomponents due to high-frequency induced currents. While increased distribution voltages aide in reducing the cable mass for a fixed power system, the associated mass with the filtering elements for power electronic converter can grow with increasing distribution voltages – thereby mitigating any benefit associated with increasing the distribution system voltage. To enable high-voltage distribution systems with high system specific power densities, new magnetic materials must be developed. Therefore, the second task of the NASA RTAPS program is associated with the design and application of advanced soft magnetic components for Megawatt class electric propulsion systems, specifically the motor drive system. This report covers the collaborative work between NASA Glenn Research Center (GRC), RTRC, P&W and CA in the development of three types of magnetic components over the span of the three-year program. These critical magnetic components are the DC side EMI filter, which limits the propagation of harmful electromagnetic noise to the rise of the distribution system, and the AC side damping with the dv/dt filter, which limits the fast rise time of the power electronic converter output voltage to limit the degradation on the cable/motor insulation systems. Each of these components are investigated from component level design and are optimized at the system level with a combined modelling and testing effort. In the final experimental evaluation of the NASA developed soft magnetic material with a dv/dt filter, a commercial-off-the-shelf (COTS) magnetic core and the GRC magnetic core are optimized and loaded at 320Arms to evaluate their difference in performance. After a run time of 30 minutes in a MW-class motor driver at RTRC, the NASA GRC cores were found to not only offer a lower temperature rise of nearly 25°𝐶, but also a reduction in measured core loss of 25% (12.75W to 9.5W).

Elecrified Aircraft Propulsion

Model-based, in-situ, non-destructive qualification and certification of parts made by autonomous additive manufacturing

To address the significant productivity challenges associated with the qualification and certification (Q&C) tasks of additively manufactured (AM) parts, which have traditionally relied on rigorous post‐build inspection and testing, we propose an integrated framework that combines model‐based qualification and certification (MBQ&C) with autonomous additive manufacturing (AAM). MBQ&C employs high‐fidelity predictive models, developed within the Integrated Computational Materials Engineering (ICME) paradigm, to simulate process–structure–property–performance relationships for assessing a part’s fitness for use. Since predictive models are commonly machine learning (ML)-based or reduced-order surrogates of validated physics models, they run efficiently, enabling timely inference. In parallel, the self-driving AAM utilises ML-based adaptive, closed‐loop control strategies to avoid, mitigate, or repair defects and anomalies during fabrication, thereby increasing the likelihood of producing acceptable parts. A key feature of the combined AAM-MBQ&C framework is that predictive models explicitly incorporate defects or anomalies that persist after the build, using instance-specific data captured via in-situ sensing. This customisation enables a build‐specific assessment of fitness for use, rather than relying on nominal or generic parameters. Such individualised evaluation provides a robust basis for Q&C-related acceptance decisions relating to each build. Additionally, the rapid solution capabilities of ML or reduced-order models enable the determination of a part’s suitability for service shortly after build completion. As the framework matures, it has the potential to substantially reduce reliance on conventional point‐design approaches—such as time‐consuming post‐build computed tomography scanning and costly destructive testing. Thus, the AAM-MBQ&C framework represents a transformative, scalable strategy for quality assurance of AM components, as parts produced within a stable, validated, and certified envelope can be certified with reduced testing. Key benefits include: (1) significant gains in Q&C productivity through efficient, model-centric assessment; (2) performance-based classification of defects into critical and non-critical categories; (3) the ability to predict potential deviations in the performance of parts affected by real-time, adaptive process control interventions relative to those produced under a certified process, and (4) the enabling of virtual Q&C for service environments that are difficult, hazardous, or impractical to access or reproduce experimentally. Collectively, these capabilities strengthen the business case for AM, particularly for high‐consequence and mission‐critical applications. Finally, although this work focuses on powder-based AM, the proposed techniques could be extended to AM processes employing alternative feedstock forms.

Gunasegaram, Dayalan

A Sensitivity-driven Wide Area Protection (SWAP) Coordination Tool for High Penetration of Inverter-based Resources (IBR)

Traditionally, power system generation sources have been composed of synchronous generators, of which the fault current behavior is understood with minimal differences between generation size and types due to the physics of their construction. Present protection schemes and modeling methods are based upon these understood characteristics. Most renewable generation is composed of inverter-based resources (IBR), in which fault current is determined by switching control software and hardware limitations, each of which can vary between manufacturers and even between models of the same manufacturer. The resulting fault current is low in magnitude, low in negative-sequence current, unpredictable phase angles, and is a challenge to model. These characteristics also result in a challenge to traditional protection schemes and fault simulation software. To address several of these concerns, the project has the following goals: 1. Improve IBR models: Improve IBR models used in short circuit (SC) programs to accurately capture the response of IBRs at the bulk power system (BPS) level for fault and protection studies. 2. Develop automation tool: Develop an automation tool that allows engineers to identify protection coordination and sensitivity issues by performing SC and protection coordination studies in a high IBR-penetrated grid by applying variations to the IBR models, faults, contingencies, etc. 3. Develop schemes: Develop new protection mitigation solution schemes that complement the existing protection systems to ensure safe operation of the BPS with higher IBR penetration levels. The project team did not achieve this final goal, as the Department of Energy (DOE) stopped the project early due to changes in DOE funding priorities. The termination notice came at the beginning of the final project phase, while the team was identifying and beginning to investigate protection issues. It should be noted that the team discussed a 100% penetration scenario. However, this scenario would require the use of grid-forming IBR models that are not presently available. Since developing these models requires additional effort, the 100% penetration scenario was not pursued during this project. In the future, developing the methodology and models for the 100% scenario could benefit the industry.

14 SOLAR ENERGY

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Experimental investigation of a closed vapour box module for a divertor-like configuration in Magnum-PSI

Efficient management of extreme heat fluxes in the divertor region to extend the lifetime of the components remains a critical challenge for the realization of nuclear fusion-based power plants. Among the alternative concepts explored for the divertor region, the use of liquid metals, particularly lithium, is of interest due its ability to dissipate the incoming plasma heat flux through the vapour shielding effect (VS). In this work, we experimentally investigated a ‘closed’ configuration of a dedicated Vapour Box Module (VBM) in the linear plasma device Magnum-PSI. The goal of the experiments is to simulate the vapour box divertor environment conditions and assess its performance in terms of power mitigation and redistribution and lithium confinement. Initial testing without Li demonstrated the efficacy of a closed VBM structure in inducing detachment via neutral gas accumulation. Apertures which enabled non-condensing gas to be effectively pumped while ensuring lithium condensed on the inner surfaces were therefore added. With a lithium capillary porous structure target used, lithium is directly vaporized by the plasma, forming a dense lithium vapour cloud that interacts with the incoming plasma. This resulted in a significant reduction of the target temperature of at least 48%, together with a temperature locking effect, a phenomenon typically observed in the VS regime. Lithium vapour confinement within the VBM was strongly correlated with the wall temperature. Relatively cold walls promoted Li re-condensation and therefore improved Li confinement, although with the expected trade-off of increased hydrogenic retention on lithium-wetted surfaces. As the wall temperature increased, the confinement efficiency decreased, consistent with reduced Li re-condensation and thermally activated Li–H chemistry and remobilization at the walls. Diagnostic measurements through embedded thermocouples and calorimetry revealed that lithium vaporization and re-condensation processes also playedsignificant roles in plasma power dissipation. The results advance the case for a closed divertor chamber with direct lithium evaporation from the strike-points as a viable method to manage divertor heat fluxes in future fusion reactors.

Romano, Fabio [Dutch Institute for Fundamental Ene

Hazard and risk analysis framework for nuclear power plant–based integrated energy systems

Employing integrated energy systems (IESs) with nuclear power plants (NPPs) can improve NPP utilization by leveraging dedicated thermal and electric power delivery, but it may also increase operational safety risks. This paper presents a framework to identify and quantify hazards and risks for such IESs. The framework combines accidentology to review past industrial accidents with failure modes and effects analysis (FMEA) to identify potential future incidents. Hydrogen explosion and toxic chemical release hazards are of particular concern. Explosion consequences are quantified using the Bauwens-Dorofeev (Bauwens) and trinitrotoluene equivalent mass (TNT-EM) methods, while chemical release consequences are computed using the Gaussian atmospheric dispersion method. Operational disturbances from direct electrical and thermal integration that may affect NPP safety are modeled using probabilistic risk analysis (PRA). Hazards and risks are then evaluated for regulatory compliance. The framework is applied to IESs comprising pressurized or boiling water reactors supplying three levels of thermal and electrical power to industrial customers. Case studies include high-temperature steam electrolysis hydrogen plants of varying capacities and a synthetic fuel production plant. Sensitivity analysis examines piping component failures in the PRA model as a precursor to cost estimation for thermal extraction line design. Additionally, Fussel-Vessely (FV) and risk increase importance (RII) measures identify risk-informed design improvements for the thermal extraction system. FMEA highlights hazards such as loss of offsite power, prompt loss of electrical load, loss of thermal output, and immediate steam diversion, in addition to hydrogen explosions and toxic chemical releases. Both Bauwens and TNT-EM methods suggest maintaining several hundred meters of separation between the NPP and hydrogen facility to mitigate explosion risks. PRA results show a maximum initiating event frequency increase of 1.15% and an overall risk increase of 0.28%. Importance measure analysis identifies upstream pipe leak isolation components as critical. Evaluating the results against safety regulations, it is concluded that hazards and risks can be managed to comply with regulations through risk-informed thermal and electrical connection designs, component selection, maintenance programs, and safe separation distances between NPPs and integrated industrial facilities.

08 - HYDROGEN

Mathematical Model of a Regenerative Fuel Cell for System Optimization

This thesis developed a system-level optimization model of a regenerative fuel cell (RFC) system for long-duration, off-world energy storage applications. Prior RFC design studies have typically been limited to reduced parameter sets and simplified constraints due to computational limitations relative to the number of relevant degrees of freedom. As a result, important nonlinear interactions between subsystems have not been fully captured. This work began to address that gap by developing a higher-fidelity, nonlinear optimization framework that incorporates a broader set of design variables and coupled constraints, enabling a multidimensional model that captures the coupled behavior of RFC subsystems and demonstrates the feasibility of applying optimization to such systems. An expanded system-level optimization approach was established that captures interactions between electrochemical performance, structural requirements, and storage design. This enabled a more comprehensive evaluation of trade-offs than conventional formulations. The model integrates four coupled subsystems: a fuel cell, an electrolyzer, reactant gas, and high-pressure storage tanks, and was formulated to accommodate a wide range of mission parameters, including operational time and required output power. It incorporates constraints on available solar array power, reactant mass balance between production and consumption, and pressure-dependent storage requirements. To enable reliable convergence, the optimization problem was reformulated to reduce dimensionality and improve numerical stability, with subsystem models organized for efficient evaluation. Problem dimensionality was reduced by consolidating lower-level design variables into higher-level representative quantities, and subsystem behavior was evaluated within the optimization loop. A multi-start initialization strategy was employed to mitigate sensitivity to local minima and improve solution quality, while nonlinear relationships were solved using robust numerical methods. The results showed that convergence was achieved across a range of required output power values. Specific energy reached a maximum at a critical mission power level, where the electrolyzer power matched the available solar input and operated near its voltage and current density limits. Beyond this point, further increases in required power resulted in less mass-efficient operation, increasing total system mass and reducing overall performance. The developed model represents an advancement in RFC system-level optimization by enabling analysis of a broader and more tightly coupled design space than previous considerations. While convergence behavior and computational cost remain challenges, the methods introduced improve solvability and allow inclusion of additional design variables with minimal loss of physical fidelity. However, the numerical results should not be interpreted as definitive design recommendations, as the model includes simplifying assumptions and omits several higher-order effects. Future work should extend this framework by incorporating additional subsystems and loss mechanisms, such as thermal management, parasitic power consumption, and reactant losses, to improve fidelity and ensure more representative design conclusions.

Electrochemistry