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At least 469 records · Page 26

Iodine capture with mechanically robust heat-treated Ag-Al-Si-O xerogel sorbents

Silver-loaded heat-treated aluminosilicate xerogels (Ag-HTX) were evaluated as sorbents for iodine [I2(g)] capture. The heat treatment step was performed to help increase the mechanical integrity of the gels. The synthesized xerogels were characterized using powder X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, transmission electron microscopy, Brunauer-Emmett-Teller analysis, gravimetric iodine loading, nanoindentation, and dynamic mechanical analysis. The structural and chemical analyses of Ag-HTX showed uniform distribution of Ag throughout the gel network after Ag-exchange. After I2(g) capture, the AgI crystallites were observed in the sorbent verifying chemisorption as the iodine capture mechanism. Iodine loading of this xerogel was 0.43 g g-1 at 150°C over 1 d and 0.52 g g-1 at 22°C over 33 d. The specific surface area of Ag-HTX was 202 m2 g-1 and decreased to 87 m2 g-1 after iodine loading. The hardness of the heat-treated xerogel was 160 times higher than heat-treated aerogel of the same composition. The heat-treatment process increased the modulus value to 40.77 MPa from 6.99 MPa of as-made xerogel, demonstrating the need for this added step in the synthesis process. These results show that Ag-HTX is a promising sorbent for I2(g) capture with good loading capacity and mechanical stability.

xerogels, aerogels, iodine capture, hardness testi↗

Fracturing process of micro-concrete under uniaxial and triaxial compression: Insights from in-situ X-ray mechanical tests

This paper presents an experimental study of concrete at meso-scale (aggregates, macro-pores and mortar matrix) in order to get a better understanding of the local failure mechanisms known to drive the macroscopic mechanical behaviour of the material. The main originality comes from conducting in-situ X-ray mechanical tests on micro-concrete samples of realistic composition (including cement, sand, aggregates and water), under uniaxial compression and, for the first time, under triaxial compression at 5 MPa, 10 MPa and 15 MPa confining pressures. A timeseries analysis of the set of 3D images coming from each test allows for the measurement of the 3D kinematic fields (displacement and strain fields) throughout the experiments. The different failure patterns observed for each loading path are discussed, along with a quantification of the 3D fracturing processes at the scale of the largest heterogeneities (aggregates and macro-pores). With an increasing level of confinement, the transition from brittle to ductile response is observed, as well as an increase of the strength of the material. The pronounced impact of the meso-scale heterogeneities of concrete on their local failure mechanisms is highlighted. It is shown that strain localisation mainly originates between aggregates and mortar matrix, with the shape and location of the largest aggregates and macro-pores essentially driving the propagation of the cracking network.

36 MATERIALS SCIENCE↗

Synthesizing, Compounding, and Characterizing a Heat Labile Polyurethane Foam

ABSTRACT A need exists for a packaging foam material that can be converted from solid to gaseous degradation products at reasonably low energy levels or temperatures, such as 100O C. This paper will primarily discuss the approaches currently being used to synthesize and characterize such a material. These approaches include the incorporation of novel polyols such as azo containing diols, polycarbonate diols, and polypropylene carbonate polyols into polyurethane foams. Characterization methods include NMR, FTIR, TGA, finite element analysis, impact strength, and others. This project will be funded for a duration of three years. Year 1 focused on developing the proposed test methods and producing an initial rigid polyurethane foam. Year 2 focuses on refining the materials and test methods. If appropriate, design of experiment (doe) techniques will be used to optimize components, component levels, density and other variables to attain required final material properties (TGA weight loss, impact strength, etc.). Year 3 focuses on scaling up to larger engineering quantities. The application for this material is in load securement for transportation of low level radioactive waste materials within the US Department of Energy (DOE) complex. Foam in place process equipment and operators will be shielded using this novel method over current practice. Current practice can involve time consuming methods of load securement in low level radiation environments. This new technique would eliminate exposure time securing the load and greatly improve the As Low As Reasonably Attainable (ALARA) conditions. The objective is to progress to higher Technical Readiness Levels (TRL) and larger pilot scale quantities. This paper discusses methodologies and presents current results to date.

Kranjc, Mark D.↗

Recent developments in catalyst-related PEM fuel cell durability

Cost and durability remain the two major barriers to the widespread commercialization of polymer electrolyte membrane fuel cell (PEMFC)-based power systems, especially for the most impactful but challenging fuel cell electric vehicle (FCEV) application. Commercial FCEVs are now on the road; however, their PEMFC systems do not meet the cost targets established by the U.S. Department of Energy, primarily due to the high platinum loading needed on the cathode to achieve the requisite performance and lifetime. Furthermore, while the activities of a number of commercial Pt-based alloy cathode catalysts exceed the beginning-of-life (BOL) targets, these activities, and the overall cathode performance, degrade via a variety of mechanisms described herein. Degradation is mitigated in current FCEVs by utilizing a cathode catalyst with a lower BOL activity (e.g., much lower transition metal alloy content and larger BOL nanoparticle size), necessitating higher catalyst loadings, and through the utilization of system controls that avoid conditions known to exacerbate degradation processes, such as limiting the fuel cell stack voltage range. The design and development of active and robust materials and eliminating the need for vehicle mitigation strategies would greatly simplify the operating system, allowing for greater transient operation, avoiding large hybridization, and curtailing of fuel cell power. Although system mitigation strategies have provided the near-term pathway for FCEV commercialization, material-specific solutions are required to further reduce costs and improve operability and efficiency. Future material developments should focus on stabilization of the electrode structure and minimization of the catalyst particle susceptibility to dissolution caused by oxide formation and reduction over PEMFC cathode-relevant operating potentials plus minimization of support corrosion. Ex situ accelerated stress tests have provided insight into the processes responsible for material and performance degradation and will continue to provide useful information on the relative stability of materials and benchmarks for robust and stable materials-based solutions not requiring system mitigation strategies to achieve adequate lifetime.

25 ENERGY STORAGE↗

Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Severe plastic deformation of metals is known to lead to superior properties that cannot be achieved by any traditional metallurgic process. Origin of the superior properties is perceived to be closely associated with grain refinement, a fundamental process during the severe plastic deformation, which is essentially the formation of new grain boundaries. However, the atomistic mechanism of grain boundary formation remains largely obscure. Here, by using in-situ transmission electron microscopy and molecular dynamic simulation, we reveal, for the first time at atomic level, the shear-induced low-angle grain boundary (LAGB) formation processes in Au nanocrystal. In this work, we discover the LAGB formation is accomplished through inward propagation of nanotwins accompanied by dislocations gliding on the twin boundaries, a nanotwin-mediated dislocation slip mechanism, which shows reversible characteristic under reciprocating shear load and is affected by the nanocrystal microstructure and orientation. Our result unveils unprecedented atomistic insights on shear driven grain refinement towards nanostructure of superior properties.

36 MATERIALS SCIENCE↗

Advancing continuous enzymatic hydrolysis for improved biomass saccharification

Background: A deployable, continuous enzymatic hydrolysis (CEH) process can address cost and commercialization risks associated with second-generation (Gen2) biorefinery sugar/lignin/ethanol production while contributing to energy supply and security. Developments in commercial enzymatic hydrolysis formulations targeting Gen2 pretreated biomass such as deacetylated mechanically refined (DMR) biomass necessitate a reassessment of the existing hybrid simultaneous saccharification and fermentation (SSF) approach. Notably, the practice of "finishing hydrolysis" in SSF has become problematic with the introduction of oxidative enzymes, such as lytic polysaccharide monooxygenases (LPMOs), into commercial cellulase formulations as these require specific redox conditions and cofactor. Moreover, continuous SSF has not been demonstrated at commercial scale, limiting deployment and the associated economic benefits to farmers, producers, and support industries. Results: Continuous enzymatic hydrolysis (CEH) was demonstrated at bench scale to enable optimal saccharification performance of deacetylated mechanically refined (DMR) pretreated biomass. Diafiltration was demonstrated to retain pretreated biomass solids and enzymes for continuous reaction while removing solubilized product sugars in situ. A significant breakthrough afforded by the CEH process is its ability to achieve equivalent endpoint conversions with approximately 50% lower enzyme loading. Yields of glucose and xylose were increased ~ 15% and ~ 4%, respectively, over batch hydrolysis. Unlike SSF using yeast or Zymomonas, CEH allows precise optimization of pH, temperature, oxygen tension, LPMO mediator concentration, and removal of end-product inhibitors. Conclusions: Advanced CEH holds promise as a transformational, process-intensified, and cost-effective method for producing soluble clarified biomass sugars and insoluble lignin-rich streams. Enhancing saccharification performance, optimizing operating parameters, and employing membrane filtration will help overcome existing challenges and enable the efficient production of valuable biomaterials from lignocellulosic biomass.

09 BIOMASS FUELS↗

Fast Kinetics Design for Solid‐State Battery Device

Abstract Fast kinetics of solid‐state batteries at the device level is not adequately explored to achieve fast charging and discharging. In this work, a leap forward is achieved for fast kinetics in full cells with high cathode loading and areal capacity. This kinetic improvement is achieved by designing a hierarchical structure of electrode composites. In the cathode, the authors’ design enables high areal capacities above 3 mAh cm −2 to be stably cycled at high current densities of ≈13–40 mA cm −2 , yielding a C‐rate from 5 to 10 C. In the anode, the authors’ design breaks the common rule of the negative correlation between critical C‐rate and the discharge voltage that is observed in most other anodes. The overall design enables the fast cycling of such batteries for over 4000 cycles at room temperature and 5 C charge‐rate. The design principles unveiled by this work help to understand critical kinetic processes in battery devices that limit the fast cycling at high cathode loading and speed up the design of high‐performance solid‐state batteries.

Wang, Yichao↗

Structure and mechanical properties of grain boundaries in molybdenum disulfide (MoS 2 )

Molybdenum disulfide (MoS 2 ) is a two-dimensional material widely used as a lubricant in many applications involving mechanical loading under a wide range of operating temperatures. Since many synthesis and processing techniques yield MoS 2 in its polycrystalline form, establishing grain boundary (GB) structure–property relations is key to designing MoS 2 microstructures with tailored properties. Here, we employ classical, reactive atomistic simulations to investigate the structure and mechanical behavior of a wide range of GBs in MoS 2 as a function of temperature. Using a bicrystal MoS 2 geometry, we characterize the atomic structure and calculate the energy of several low-angle GBs. Then, we simulate the tensile deformation behavior of MoS 2 bicrystals at several temperatures. Our results reveal that at temperatures above 100 K, the deformation of MoS 2 bicrystals is characterized by the nucleation of shear bands from GBs that grow, with subsequent loading, into the MoS 2 crystals. At low temperatures, the tensile deformation is characterized by the nucleation and propagation of deformation fronts, resulting in altered bond angles and bond lengths. Quantitative analysis reveals a decrease in the ultimate tensile stress and ultimate failure strain of MoS 2 bicrystals with the increase in temperature. Furthermore, our simulations of the mechanical behavior of metastable GBs reveal that the strength and ductility decrease with the increase in energy of these boundary structures. In broad terms, our work provides future avenues to employ GB engineering as a strategy to tailor the properties of MoS 2 microstructures.

Moore, Robert D. [Lehigh Univ., Bethlehem, PA (Uni↗

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗

Energy use of piperazine with the advanced stripper from pilot plant testing

Here, piperazine with the Advanced Stripper (PZAS™) was tested at the National Carbon Capture Center (NCCC) at coal and NGCC conditions. Energy performance was measured with accounting for heat loss. The net heat duty was found to be identical at 2.45 GJ/tonne for both 4 and 12% CO 2 at 90% CO 2 removal. The average measured heat loss was 0.38 GJ/tonne and represented 30% of the gross heat rate. For PZAS, the warm rich piping before the control valve is the largest in surface area. Heat loss at this location increased heat duty by 80% of the heat loss value. Therefore, the total heat duty was decreased by 80% of the heat loss. The Independence™ model was validated using 112 steady-state pilot plant runs and predicted average net heat duty with an error of 9% and lean loading with an error of 10%. The model was used to simulate process impacts of heat loss for the PZAS and simple stripper configurations. For both strippers, heat loss was found to impact heat duty at locations other than just the steam heater. While heat loss in the steam heater was the most important for PZAS, heat loss in the column was the most important for the simple stripper due to a large top-side pinch and CO 2 reabsorption at the same location. CO 2 reabsorption in PZAS occurred only at high heat loss values (~0.14 GJ/hr), compared to low heat loss values (~ 0.03 GJ/hr) in the PZ-simple stripper. Excessive packing in the PZ-simple stripper caused a large top-side pinch at 0.23 mol/mol lean loading, making the column very sensitive to heat loss. Heat loss in the PZ-simple stripper increased heat duty by 120–150% at typical heat loss values and lean loading of 0.23 mol/mol. Heat loss in the MEA-simple stripper only increased heat duty by 1–13% in a typical lean loading range of 0.1–0.2 mol/mol. A large bottom side pinch at low lean loading for 7 m MEA made the effect of heat loss less pronounced.

42 ENGINEERING↗

Proactive Frequency Stability Scheme via Bayesian Filters and Synchrophasors

Underfrequency (UF) load shedding schemes are traditionally implemented in two ways: One approach is based on manual load shedding, with system operators requesting loads to be shed ahead of anticipated stressful operating conditions. Manual load shedding is usually done through phone calls. The second method is automatic load shedding via underfrequency relays. Using static static settings, these schemes can be designed to operate in stages and drop previously identified loads. The main limitation of traditional load shedding schemes is that they are reactive and leave little room for optimized corrective actions. This work presents a proactive and automatic underfrequency load shedding solution for power systems. Measurements are captured via phasor measurement units (PMUs) at relatively low sampling rates of 30 Hz. These measurements are then processed by particle filters who predict the future state of the system's frequency. Based on these predictions excess load is determined and shed. Comparative case studies are performed in simulated environments. Easy-to-implement models, without hard-to-derive parameters, highlight potential aspects for real-life implementation.

Paramo, Gian↗

A Probabilistic Approach to Load Modeling for Central HVAC Systems in Large Commercial Buildings for Retrofit Decisions Under Uncertainty

Retrofitting central HVAC systems in large commercial buildings with advanced technologies like heat recovery chillers (HRCs) offers a significant opportunity to enhance energy efficiency. However, analyzing these retrofits is challenging with traditional whole-building simulation tools, which require intensive calibration and struggle to model innovative system configurations and controls. To overcome these limitations, this study proposes a load profilebased retrofit analysis framework that provides better decisions under uncertainty. The main focus of this paper is the development of a probabilistic load profile model that can be used in the framework by using exploratory data analysis (EDA) of measured building data to properly quantify its inherent variability. A non-parametric Gaussian Process (GP) model was employed to capture the time- and weather-dependent characteristics of the heating load while explicitly modeling its uncertainty. The model's effectiveness is demonstrated through strong predictive performance on unseen data and physically interpretable insights into load behavior. This data-driven, probabilistic load profile serves as a robust and flexible input for subsequent system simulations, enabling a more confident and statistically sound analysis of retrofit potential.

Ham, S W↗

The Toughness of Interlocking Metasurfaces

Interlocking metasurfaces (ILMs) are arrays of autogenous latching unit cells patterned across a surface. These create structural joints similar to bioinspired suture joints but patterned over a 2D surface rather than a 1D seam. This enables ILMs to be an alternative to conventional joining technologies such as bolts, welds, and adhesives. However, compared to conventional joining methods, relatively little is known of the engineering considerations for designing structural ILMs. Herein, the interfacial toughness of an archetypal ILM is examined for the first time. Under the conditions studied here, the ILM is substantially tougher than the material from which it is made, in this case, exhibiting up to a 50% increase in interfacial crack initiation energy over the solid base material, a photocured 3D‐printed polymer. Through experimental tests using in‐situ digital image correlation along with complementary computational analyses, the mechanism of toughening in the ILM structure and the origins of toughness anisotropy are revealed. The increase in toughness is associated with cross‐cell interactions, that is, load‐sharing across unit cells, which give rise to a finite process zone length with different effective material properties. In this way, ILM toughening is analogous to crack blunting in ductile materials or fiber bridging in composites; yet here, the ILM is composed of a single‐phase base material and so the architected toughening is geometric in nature and hence amenable to future topological optimization.

fracture↗

Comparison of continuum and cross-core theories of dynamic strain aging

Dynamic strain aging (DSA) is the process of solute atoms segregating around dislocations on the timescale of loading. Continuum theories of DSA derived from elasticity theory have been shown to severely overpredict both the timescale and strengthening of DSA. Recently, cross-core theory was developed to reconcile this gap, invoking a special single-atomic-hop diffusion mechanism across the core of an extended dislocation. In this work, we show that the classical continuum theory expression for the rate of solute segregation is in error. After correcting this error, we show that continuum theory predictions match cross-core theory when the elevated diffusivity near the dislocation core is accounted for. Finally, our findings indicate that continuum theory is still a useful tool for studying dislocation-solute interactions.

36 MATERIALS SCIENCE↗

High energy X-ray diffraction and small-angle scattering measurements of hydrogen fatigue damage in AISI 4130 steel

Accurate lifetime predictions are critical for repurposing existing pipelines for hydrogen transmission as well as for developing novel steels which are minimally susceptible to lifetime degradation by hydrogen. Ultimately, lifetime prediction models assess the amount of damage a material undergoes during a typical service cycle and the cumulative damage a material can withstand prior to failure. However, not all damage processes are equal, and neither is the manner in which mechanical loading translates to damage the same when materials are in inert environments compared to in hydrogen environments. For example, in the three leading proposed mechanisms of hydrogen embrittlement (Hydrogen-Enhanced Decohesion (HEDE), the Hydrogen-Enhanced Localized Plasticity (HELP), and the Nano-Void Coalescence (NVC)), hydrogen is proposed to enhance the manifestation of grain separation, dislocation generation/movement, and void coalescence, respectively. A full understanding of the damage modes requires a measurement capable of probing all three mechanisms at once. Here we present simultaneous High Energy X-ray Diffraction (HEXRD) and Small-Angle X-ray Scattering (SAXS) during fatiguing of steel in hydrogen. HEXRD measurements probe strain and dislocation density; SAXS measurements probe nano-pore generation and coalescence. We will discuss the differences in damage modes between steels fatigued in air and in hydrogen and the role these difference play in lifetime predictions.

36 MATERIALS SCIENCE↗

Additive manufacturing of highly dense anisotropic Nd–Fe–B bonded magnets

Extrusion based big area additive manufacturing process is utilized for fabrication of dense anisotropic bonded magnets. High loading fraction (≥70 vol%) of magnequench anisotropic Nd–Fe–B powder in nylon is used for preparing anisotropic bonded magnets. A higher energy product of ~143.2 kJ/m 3 is obtained for the post printed magnetic field aligned at 1 Tesla. These findings make an important step towards the fabrication of gap magnets with energy product between ferrite and Nd–Fe–B sintered magnets. Finally, printed bonded magnets exhibited better thermal stability, mechanical properties and superior magnetic properties compared to commercial injection molded magnets.

36 MATERIALS SCIENCE↗

Network Reconfiguration for Enhanced Operational Resilience Using Reinforcement Learning

This paper proposes a reinforcement learning-based approach for distribution network reconfiguration(DNR) to enhance the resilience of the electric power supply. Resilience enhancements usually require solving large-scale stochastic optimization problems that are computationally expensive and sometimes infeasible. The exceptional performance of reinforcement learning techniques has encouraged their adoption in various power system control studies, specifically resilience-based real-time applications. In this paper, a single agent framework is developed using an Actor-Critic algorithm (ACA) to determine statuses of tie-switches in a distribution feeder impacted by an extreme weather event. The proposed approach provides a fast-acting control algorithm that reconfigures the feeder topology to reduce or even avoid load shedding. The problem is formulated as a discrete Markov decision process in such a way that a system state captures the system topology and its operational characteristics. An action is made to open or close a specific set of tie-switches after which a reward is calculated to evaluate the practicality and advantage of that action. The iterative Markov process is used to train the proposed ACA under diverse failure scenarios and is demonstrated on the 33-node distribution feeder system. Results show the capability of the proposed ACA to determine proper switching action of tie-switches with accuracy exceeding 93%.

actor critic↗

Measuring Q₀ in LCLS-II Cryomodules Using Helium Liquid Level

The nitrogen-doped cavities used in the Linac Coherent Light Source II (LCLS-II) cryomodules have shown an unprecedented high Q₀ in vertical and cryomodule testing compared with cavities prepared with standard methods. While demonstration of high Q₀ in the test stand has been achieved, maintaining that performance in the linac is critical to the success of LCLS-II and future accelerator projects. The LCLS-II cryomodules required a novel method of measuring Q₀, due to hardware incompatibilities with existing procedures. Initially developed at Jefferson Lab during cryomodule acceptance testing before being used in the tunnel at SLAC, we use helium liquid level data to estimate the heat generated by cavities. We first establish the relationship between the rate of helium evaporation from known heat loads using electric heaters, and then use that relationship to determine heat from an RF load. Here we present the full procedure along with the development process, lessons learned, and reproducibility while demonstrating for the first time that world record Q₀ can be maintained within the real accelerator environment.

43 PARTICLE ACCELERATORS↗