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At least 703 records · Page 39

Millimeter-Scale Exfoliation of hBN with Tunable Flake Thickness for Scalable Encapsulation

As a two-dimensional (2D) dielectric material, hexagonal boron nitride (hBN) is in high demand for applications in photonics, nonlinear optics, and nanoelectronics. Unfortunately, the high-throughput preparation of macroscopic-scale, high-quality hBN flakes with controlled thickness is an ongoing challenge, limiting device fabrication and technological integration. In this report we present a metal thin-film exfoliation method to prepare hBN flakes with millimeter-scale dimension, near-unity yields, and tunable flake thickness distribution from 1-7 layers, a substantial improvement over scotch tape exfoliation. The single crystallinity and high quality of the exfoliated hBN are demonstrated with optical microscopy, atomic force microscopy, Raman spectroscopy, and second harmonic generation. We further explore a possible mechanism for the effectiveness and selectivity based on thin-film residual stress measurements, density functional theory calculations, and transmission electron microscopy imaging of the deposited metal films. We find that the magnitude of the residual tensile stress induced by thin film deposition plays a key role in determining exfoliated flake thickness in a manner which closely resembles 3D semiconductor spalling. Lastly, we demonstrate that our exfoliated, large-area hBN flakes can be readily incorporated as encapsulating layers for other 2D monolayers. Altogether, this method brings us one step closer to the high throughput, mass production of hBN-based 2D photonic, optoelectronic, and quantum devices.

2D materials↗

Deciphering controls on metal migration within floodplains: The critical role of redox environments on metal-organic complexes (Final Technical Report)

Our project elucidates the effect of differing hydrologic regimes on nutrient and contaminant dynamics within floodplains, and we explore the impact of varying sources of hydrologic extremes on nutrient-contaminant fate and transport. We use a combination of field measurements and laboratory experiments to examine the relationships between redox conditions, functionality of dissolved organic matter, metal speciation (specifically examining metal-ligand complexes), and nutrient-contaminant fate, particularly during hydrologic extremes. Floodplain biogeochemical variation through climatic extremes and beaver-induced hydrologic variation provide a unique look at controls on nutrient-contaminant fate and transport. Through our work, we have developed a novel approach that provides an unprecedented ability to resolve aqueous metal-organic complexes that reveals metal binding preferences for natural organic matter based on metal-ligand chemistry. We have developed novel methods to separate, quantify, and characterize organic-metal complexes in natural DOM that pair with field experiments comprising floodplains having systematic variation in biogeochemical conditions. We also developed a comprehensive computational approach for molecular characterization of metal-organic species that merges LC-coupled high resolution (HR) mass spectrometry and ICP-MS analysis. Importantly, we show that beaver dams have an outsized influence on hydrologic extremes, dwarfing the impact of climatic variation, that ultimate control biogeochemical conditions and water quality. Additionally, beaver dams impose a hydrologic driver that leads to improved, river water quality by divert water through soils and the hyporheic zone. We further show that iron(III) minerals have a dominant control on carbon mineralization across floodplains independent of hydrologic conditions, and that iron and aluminum associations with organic matter are a controlling factor in carbon mineralization. Ultimately, our work is helping to advancing a robust predictive understanding of how hydrologic changes in watersheds affect water quality and carbon and metal cycling in riparian zones.

54 ENVIRONMENTAL SCIENCES↗

The NREL Sensor Laboratory: Status and Future Directions for Hydrogen Detection

The NREL Hydrogen Sensor Laboratory was commissioned in 2010 as a resource for the national and international hydrogen community to ensure the availability and proper use of hydrogen sensors. Since then, the Sensor Laboratory has provided unbiased verification of hydrogen sensor performance for sensor developers, end-users, and regulatory agencies and has also provided active support for numerous code and standards development organizations. Although sensor performance assessment remains a core capability, the mission of the NREL Sensor Laboratory has expanded toward a more holistic approach regarding the role of hydrogen detection and its implementation strategy for both assurance of facility safety as well as for process control applications. Active monitoring for detection of unintended releases has been identified by the NFPA 2 Storage Task Group as a viable approach for improving facility safety and lowering setbacks. The current research program for the Sensor Laboratory addresses both conventional and advanced developing detection strategies in response to the emerging large-scale markets, such as those envisioned by H2@Scale. These emerging hydrogen applications may require alternative detection strategies that supplement and may ultimately supplant the use of traditional sensors for monitoring hydrogen releases. Research focus areas for the NREL Sensor Laboratory now encompasses the characterization of released hydrogen behavior to optimize detection strategies for both indoor and outdoor applications, advanced methods of hydrogen leak detection such as hydrogen wide area monitoring approaches for large scale and distributed applications, the incorporation of active monitoring as a risk reduction strategy to improve safety at hydrogen facilities, and continuing support of hydrogen safety codes and standards. In addition to assurance of safety, detection will be critical for process control applications, such as hydrogen fuel quality verification for fuel cell vehicle applications and for monitoring and controlling of hydrogen-natural gas blend composition.

codes and standards↗

Unsupervised multimodal fusion of in-process sensor data for advanced manufacturing process monitoring

Effective monitoring of manufacturing processes is crucial for maintaining product quality and operational efficiency. Modern manufacturing environments often generate vast amounts of complementary multimodal data, including visual imagery from various perspectives and resolutions, hyperspectral data, and machine health monitoring information such as actuator positions, accelerometer readings, and temperature measurements. However, fusing and interpreting this complex, high-dimensional data presents significant challenges, particularly when labeled datasets are unavailable or impractical to obtain. This paper presents a novel approach to multimodal sensor data fusion in manufacturing processes, inspired by the Contrastive Language-Image Pre-training (CLIP) model. We leverage contrastive learning techniques to correlate different data modalities without the need for labeled data, overcoming limitations of traditional supervised machine learning methods in manufacturing contexts. Our proposed method demonstrates the ability to handle and learn encoders for five distinct modalities: visual imagery, audio signals, laser position (x and y coordinates), and laser power measurements. By compressing these high-dimensional datasets into low-dimensional representational spaces, our approach facilitates downstream tasks such as process control, anomaly detection, and quality assurance. The unsupervised nature of our method makes it broadly applicable across various manufacturing domains, where large volumes of unlabeled sensor data are common. We evaluate the effectiveness of our approach through a series of experiments, demonstrating its potential to enhance process monitoring capabilities in advanced manufacturing systems. This research contributes to the field of smart manufacturing by providing a flexible, scalable framework for multimodal data fusion that can adapt to diverse manufacturing environments and sensor configurations. The proposed method paves the way for more robust, data-driven decision-making in complex manufacturing processes.

Contrastive Learning↗

Low-carbon fuels for spark-ignited engines: A comparative study of compressed natural gas and liquefied petroleum gas on a CFR engine with exhaust gas recirculation

Decades of work on low-carbon fuels have established their potential for substantial emissions reductions; however, their adoption is still limited by infrastructure concerns and engine efficiency deficits. As infrastructures have begun to evolve, research on strategies that maximize engine efficiency through interactions with fuel properties must also now take center place. This paper compares the performance, emissions, and combustion characteristics of two forefront low-carbon fuels: compressed natural gas (CNG) and liquefied petroleum gas (LPG) in a cooperative fuel research (CFR) engine over a range of compression ratios and engine loads. The effects of exhaust gas recirculation (EGR), end-gas auto-ignition, and a novel combustion control tool, the combustion intensity metric (CIM), were also evaluated at different stoichiometric engine operating conditions. In comparison to LPG, CNG operation demonstrated an extended knock-free regime, allowing engine operation at higher engine loads and compression ratios, but LPG operation exhibited enhanced combustion characteristics with higher peak pressures and faster apparent heat release rates (AHRR). LPG operation achieved higher brake thermal efficiencies and lower equivalent CO 2 emissions compared to CNG operation at the tested engine loads and compression ratios. LPG demonstrated significantly higher EGR tolerance limits compared to CNG, with a maximum of 28% EGR rate, compared to 23% for CNG. This improved EGR dilution tolerance was responsible for a 90% reduction in NOx emissions for LPG compared to a maximum of 70% with CNG. EGR dilution also exhibited more effective knock mitigation potential with LPG, suppressing knock intensity values by up to 98% and transitioning the engine operation towards normal combustion from heavy knocking conditions. As a result, the CIM was found to decrease burn durations and improve the quality of combustion by controlling the desired fraction of end-gas auto-ignition.

33 ADVANCED PROPULSION SYSTEMS↗

Real-time biomass feedstock particle quality detection using image analysis and machine vision

Abstract A common and costly challenge in the nascent biorefinery industry is the consistent handling and conveyance of biomass feedstock materials, which can vary widely in their chemical, physical, and mechanical properties. Solutions to cope with varying feedstock qualities will be required, including advanced process controls to adjust equipment and reject feedstocks that do not meet a quality standard. In this work, we present and evaluate methods to autonomously assess corn stover feedstock quality in real time and provide data to process controls with low-cost camera hardware. We explore the use of neural networks to classify feedstocks based on actual processing behavior and pixel matrix feature parameterization to further assess particle attributes that may explain the variable processing behavior. We used the pretrained ResNet neural network coupled with a gated recurrent unit (GRU) time-series classifier trained on our image data, resulting in binary classification of feedstock anomalies with favorable performance. The textural aspects of the image data were statistically analyzed to determine if the textural features were predictive of operational disruptions. The significant textural features were angular second moment, prominence, mean height of surface profile, mean resultant vector, shade, skewness, variation of the polar facet orientation, and direction of azimuthal facets. Expansion of these models is recommended across a wider variety of labeled feedstock images of different qualities and species to develop a more robust tool that may be deployed using low-cost cameras within biorefineries.

09 BIOMASS FUELS↗

On the efficacy of post-build thermomechanical treatments to improve properties of Zirconium fabricated using ultrasonic additive manufacturing

Here, hot-isostatic pressing has been applied to Zirconium plate fabricated using the ultrasonic additive manufacturing (UAM) technique to enhance interfacial bond quality. Specimens heated to 800 C for 1 h at 100 MPa pressure showed grain growth across many prior foil-to-foil interfaces, thereby increasing foil adhesion. In addition to the material softening induced by a loss of Hall-Petch strengthening, premature failure of specimens loaded parallel to the build direction was observed. Premature specimen failure was attributed to the local delamination at prior foil-to-foil boundaries where grain growth was pinned by Ti impurities introduced during the UAM process via the interaction between a Ti-alloy buffer foil and the welded Zr-foils underneath. In addition, the presence of Ti along select foil interfaces resulted in the nucleation and growth of secondary (Zr,Ti)(Fe,Cr) laves phases during higher-temperature thermomechanical processing. Using a combination of micro-scale X-ray computed tomography, fractography, and in-situ digital image correlation, the effect of defects along prior foil-to-foil boundaries was revealed as delamination-assisted plasticity accelerated specimen failure in preferred tensile orientations. These findings underscore the importance of impurity control when optimizing weld quality of higher-strength material systems using ultrasonic welding.

36 MATERIALS SCIENCE↗

Power Quality and Stability in a Cluster of Microgrids with Coordinated Power and Energy Management

Distributed Energy Resources (DER) such as photovoltaic (PV) systems and battery energy storage systems (BESS) can be operated collectively as microgrids. Microgrids can be effective in meeting local load requirements as well as in improving the power quality and stability in a modern power distribution system. Multiple microgrids can also be operated in a coordinated manner as a cluster, to improve the resiliency of the power distribution system. In the event of an outage caused by a transmission system failure, the microgrids in a cluster can use their distributed generation capacity and energy storage resources to recover and extend power availability to the critical loads in the system. In this paper, an illustrative cluster of two microgrids based on the IEEE 13-bus model with DERs has been used, to demonstrate the operation of the concept using real-time simulations. Using real-time simulations, capabilities such as switching reconfiguration following faults, identification of optimal DER placement for effective power quality management, and power electronic controller validation have been demonstrated. For the two-microgrid cluster, this paper also presents improvements in load voltage quality and

Chowdhury, Prithwiraj Roy↗

Extrusion parameter control optimization for DIW 3D printing using image analysis techniques

Material extrusion is a well-recognized facet of additive manufacturing that involves the fabrication of parts through the deposition of structural material from an extrusion head from a bulk supply. In the subdivision of Direct Ink Writing (DIW) additive manufacturing, challenges arise when the structural material is flowable, synchronous extrusion control and tool movement becomes critical for achieving high-quality parts with low defect populations. DIW techniques are most used in laboratory settings using expensive custom instruments and may require specialized 3D slicing software. Here, in this study, the fabrication of an inexpensive, consumer-friendly progressive cavity pump dispensing system is detailed, in which can create high-quality parts by executing G-code commands produced from a commercial slicing software. The precision and repeatability of the movement-synchronized material extrusion is demonstrated through a series of optimization schemes, entailing the alteration of various control parameters, which directly affect the extrusion properties demonstrated during a print. In situ diagnostics were implemented to evaluate the results of the established optimization experiment. Using a machine vision technique, images of the optimization prints are processed. Following this, a supervised machine learning model was trained to autonomously judge whether or not the extrusion parameters produced a passing or failing result. The machine learning scheme serves as a preliminary benchmark for future layer-by-layer evaluation of more complex DIW parts. The construction of the printer and development of in situ characterization capabilities demonstrates the ability for this printer to create high-fidelity DIW parts for a fraction of the price of other systems.

42 ENGINEERING↗

Optimal Control of Biomass Feedstock Processing System Under Uncertainty in Biomass Quality

Planning of biorefinery operations is complicated by the stochastic nature of physical and chemical characteristics of biomass feedstock, such as, moisture level and carbohydrate content. Biomass characteristics affect the performance of the equipment which feed the reactor and the efficiency of the conversion process in a biorefinery. We propose a stochastic optimization model to identify a blend of feedstocks, inventory levels, and operating conditions of equipment to ensure a continuous flowing of biomass to the reactor while meeting the requirements of the biochemical conversion process. We propose a sample average approximation (SAA) of the model, and develop an efficient algorithm to solve the SAA model. A feedstock preprocessing process consists of two-stage grinding and pelleting is used to develop a case study. Extensive numerical analysis are conducted which lead to a number of observations. Our main observation is that sequencing bales based on moisture level and carbohydrate content leads to robust solutions that improve processing time and processing rate of the reactor. We provide a number of managerial insights that facilitate the implementation of the model proposed. Note to Practitioners—This paper is motivated by the challenges faced in the bioenergy industry. The focus of this paper is on plants which use the biochemical conversion process to generate liquid fuels. It has been observed that variations in biomass characteristics, such as moisture content, cause variations in feeding of the system which lead to under-utilization of equipment. A requirement of biochemical conversion process is to maintain the carbohydrate content of biomass processed by the reactor, larger than a threshold. We propose a model that identifies the inventory levels and operating conditions of equipment to ensure a continuous flowing of biomass to the reactor. The goal is to improve equipment utilization while satisfying the requirements of the conversion process. The model is tested using real-life data. We found out that by sequencing bales based on moisture level and carbohydrate content, a plant can reduce variability in the system leading to improved system reliability, higher processing rates of the reactor, and higher throughput.

09 BIOMASS FUELS↗

Ultra-Sharp Nanowire Arrays Natively Permeate, Record, and Stimulate Intracellular Activity in Neuronal and Cardiac Networks

Intracellular access with high spatiotemporal resolution can enhance the understanding of how neurons or cardiomyocytes regulate and orchestrate network activity and how this activity can be affected with pharmacology or other interventional modalities. Nanoscale devices often employ electroporation to transiently permeate the cell membrane and record intracellular potentials, which tend to decrease rapidly with time. Here, one reports innovative scalable, vertical, ultrasharp nanowire arrays that are individually addressable to enable long-term, native recordings of intracellular potentials. One reports electrophysiological recordings that are indicative of intracellular access from 3D tissue-like networks of neurons and cardiomyocytes across recording days and that do not decrease to extracellular amplitudes for the duration of the recording of several minutes. The findings are validated with cross-sectional microscopy, pharmacology, and electrical interventions. The experiments and simulations demonstrate that the individual electrical addressability of nanowires is necessary for high-fidelity intracellular electrophysiological recordings. This work advances the understanding of and control over high-quality multichannel intracellular recordings and paves the way toward predictive, high-throughput, and low-cost electrophysiological drug screening platforms.

36 MATERIALS SCIENCE↗

Establishing fluvial silicon regimes and their stability across the Northern Hemisphere

Abstract Fluvial silicon (Si) plays a critical role in controlling primary production, water quality, and carbon sequestration through supporting freshwater and marine diatom communities. Geological, biogeochemical, and hydrological processes, as well as climate and land use, dictate the amount of Si exported by streams. Understanding Si regimes—the seasonal patterns of Si concentrations—can help identify processes driving Si export. We analyzed Si concentrations from over 200 stream sites across the Northern Hemisphere to establish distinct Si regimes and evaluated how often sites moved among regimes over their period of record. We observed five distinct regimes across diverse stream sites, with nearly 60% of sites exhibiting multiple regime types over time. Our results indicate greater spatial and interannual variability in Si seasonality than previously recognized and highlight the need to characterize the watershed and climate variables that affect Si cycling across diverse ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Molar Absorptivities of U(VI), U(IV), and Pu(III) in Nitric Acid Solutions of Various Concentrations Relevant to Developing Nuclear Fuel Recycling Flowsheets

Testing of a co-decontamination (CoDCon) tributyl phosphate (TBP) based solvent extraction flowsheet is being performed to optimize conditions for achieving a target U/Pu ratio in the Pu-containing product. The flowsheet is designed to directly produce a mixture of U and Pu with a U/Pu mass ratio of 7/3. The system is monitored in real time using optical spectroscopy, which allows for control of the U/Pu ratio in the aqueous U/Pu nitrate product. On-line spectrophotometric monitoring of the aqueous stream at the reductive stripping step involves determination of U(VI), U(IV) and Pu(III) concentrations and relies on molar absorptivities of these species in nitric acid at a number of wavelengths corresponding to their peaks’ maxima. The magnitudes of these molar absorptivities are a sensitive function of nitric acid concentration and have to be determined as precisely as possible using an off-line spectrophotometry under well controlled conditions. This step (called training set acquisition) is typically performed not in a high contamination area of radiological glovebox where flow-through cells and other on-line equipment are installed but in a less aggressive environment of a radiological fume hood with much better control of stock solutions quality, dilution factors, optical absorbance scale calibration, etc. This is followed by the calibration transfer between the off-line instrument and the instrument deployed during extraction and stripping runs. This paper reports values of molar absorptivities of U(VI), U(IV), and Pu(III) in nitric acid solution of 0.5 M to 4 M concentration and compares them with available technical literature data. Results of off-line spectrophotometric analysis of selected aqueous grab samples from one of CoDCon runs show satisfactory agreement with total uranium and plutonium concentrations determined in the same samples by ICP-MS.

Sinkov, Sergey I.↗

Optimization of key energy and performance metrics for drug product manufacturing

During the development of pharmaceutical manufacturing processes, detailed systems-based analysis and optimization are required to control and regulate critical quality attributes within specific ranges, to maintain product performance. As discussions on carbon footprint, sustainability, and energy efficiency are gaining prominence, the development and utilization of these concepts in pharmaceutical manufacturing are seldom reported, which limits the potential of pharmaceutical industry in maximizing key energy and performance metrics. Based on an integrated modeling and techno-economic analysis framework previously developed by the authors, this study presents the development of a combined sensitivity analysis and optimization approach to minimize energy consumption while maintaining product quality and meeting operational constraints in a pharmaceutical process. The optimal input process conditions identified were validated against experiments and good agreement resulted between simulated and experimental data. Here, the results also allowed for a comparison of the capital and operational costs for batch and continuous manufacturing schemes under nominal and optimized conditions. Using the nominal batch operations as a basis, the optimized batch operation results in a 71.7% reduction of energy consumption, whereas the optimized continuous case results in an energy saving of 83.3%.

59 BASIC BIOLOGICAL SCIENCES↗

Impact of electrode thick spot irregularities on polymer electrolyte membrane fuel cell initial performance

Polymer electrolyte membrane fuel cells have great potential for power generation in many applications, but to implement them on a larger scale, understanding of quality requirements, tolerances, and controls during manufacturing must improve. As part of this broad challenge, irregularities resulting from the membrane electrode assembly production process must be studied to determine if they impact the performance of the cell. One potential irregularity is a locally increased thickness of the coated or deposited electrode. In order to understand and provide insight into the impact of such irregularities, we intentionally created thick spots in the center of cathode electrodes. The thick spots fabricated by two different approaches were carefully characterized by optical microscopy, X-ray fluorescence spectroscopy and scanning electron microscopy (SEM). We found that the impact of the thick spots on the electrochemically active catalyst area and mass activity was minimal. However, specific electrode thick spot irregularities significantly impacted the mass transport properties of the cells. Based on SEM analysis, the likely cause of the performance drop is morphological changes associated with the creation of the thick spot irregularity. Spatial performance results obtained with a segmented cell system further indicated that the area of the performance impact exceeded that of the intentionally created thick spot.

25 ENERGY STORAGE↗

The Effects of Temperature on the Assembly of Gold Nanoparticle by Interpolymer Complexation

Using synchrotron-based small-angle X-ray scattering techniques, we demonstrate that poly(ethylene glycol)-functionalized gold nanoparticles (PEG-AuNPs) are assembled into close-packed structures that include short-range order with face-centered cubic structure, where crystalline qualities are varied by controlling the electrolyte concentration, pH, and temperature of the suspensions. Here, we show that interpolymer complexation with poly(acrylic acid) (PAA) is induced by lowering the pH level of the PEG-AuNPs suspensions, and furthermore, increasing the temperature of the suspension strengthens interparticle attraction, leading to improved supercrystal structures. Our results indicate that this strategy creates robust nanoparticle superlattices with high thermal stability. The effects of PAA and PEG chain lengths on the assemblies are also investigated, and their optimal conditions for creating improved superlattices are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

First demonstration of improved yield with reduced adiabat in inertial confinement fusion implosions on the National Ignition Facility

Laser-driven, indirect-drive inertial confinement fusion (ICF) experiments at the National Ignition Facility (NIF) recently achieved a target gain greater than one, where fusion energy output exceeds input laser energy [Abu-Shawareb et al., Phys. Rev. Lett. 132, 065102 (2024)]. Despite this milestone, gain levels remain insufficient for practical applications such as inertial fusion energy, making performance improvement critical. One promising approach is increasing fuel compression by lowering the implosion adiabat. To explore reduced adiabat, experiments were conducted modifying the laser pulse shape and shock timing of an existing 1.9-MJ-drive implosion design performing near the ignition cliff [Abu-Shawareb et al., Phys. Rev. Lett. 129, 075001 (2022)]. These experiments demonstrated increased compression and fusion yield in ICF implosions at the NIF by using a lower fuel adiabat, and increased compression with a reduced adiabat in high-density carbon ablators. The updated design achieved up to 80% higher fusion yield and 14% greater fuel compression compared to the previous best-performing 1.9-MJ experiment, with repeatable performance, and is the only implosion design to achieve a target gain exceeding one with < 2.04 MJ laser energy. Notably, this work was made possible because of recent advances in target quality and pulse shape control allowing experimental access to the ignition regime, and thereby increased sensitivity to adiabat. This work addresses a long-standing question in ICF research and lays the foundation for higher target gains through optimized implosion strategies. It underscores the potential of reduced adiabat designs to enhance compression and fusion yields for future ICF applications.

Hohenberger, M. [Lawrence Livermore National Labor↗

Smart Meters Enabling Voltage Monitoring and Control Functionalities: The Last-Mile Voltage Stability Issue

It is a demanding yet challenging task to design the next generation of smart meters. This work investigates the new voltage monitoring and control function for the next-generation smart meters, and identifies its added values for power system voltage stability issues. In terms of voltage monitoring, the risk benefit analysis for adding voltage magnitudes to smart meter measurements is presented, and the risk mitigation strategies along with the co-simulation validation via GridLAB-D and NS-3 are proposed, all providing insight into the new function evaluation. In terms of voltage control, a new voltage stability control scheme is developed, which uses voltage measurements from smart meters and utilizes the observability and controllability of distributed energy resources and controllable loads. Different from traditional voltage control schemes focusing on voltage regulation and power quality monitoring from the utility perspective, the proposed control scheme can achieve the maximum real power transfer margin at the end user side, enabling the voltage stability issues being solved at the grid edge, i.e. the last-mile segment. It is the first work that considers voltage monitoring and control collectively for smart meter investment. It can help power engineering community supplement smart meter applications and shape the next-generation smart meters.

42 ENGINEERING↗