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At least 541 records · Page 30

Atomically Dispersed Pentacoordinated‐Zirconium Catalyst with Axial Oxygen Ligand for Oxygen Reduction Reaction

Single-atom catalysts (SACs), as promising alternatives to Pt-based catalysts, suffer from the limited choice of center metals and low single-atom loading. Here, we report a pentacoordinated Zr-based SAC with nontrivial axial O ligands (denoted O-Zr-N-C) for oxygen reduction reaction (ORR). The O ligand downshifts the d-band center of Zr and confers Zr sites with stable local structure and proper adsorption capability for intermediates. Consequently, the ORR performance of O-Zr-N-C prominently surpasses that of commercial Pt/C, achieving a half-wave potential of 0.91 V vs. reversible hydrogen electrode and outstanding durability (92% current retention after 130-hour operation). Moreover, the Zr site shows good resistance towards aggregation, enabling the synthesis of Zr-based SAC with high loading (9.1 wt%). With the high-loading catalyst, the zinc-air battery (ZAB) delivers a record-high power density of 324 mW cm -2 among those of SAC-based ZABs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Damage Simulation in Non-Crimp Fabric Composite Plates Subjected to Impact Loads

Progressive failure analysis (PFA) of non-crimp fabric (NCF) composite laminates subjected to low velocity impact loads was performed using the COmplete STress Reduction (COSTR) damage model implemented through VUMAT and UMAT41 user subroutines in the frame works of the commercial finite element programs ABAQUS/Explicit and LS-DYNA, respectively. To validate the model, low velocity experiments were conducted and detailed correlations between the predictions and measurements for both intra-laminar and inter-laminar failures were made. The developed material and damage model predicts the peak impact load and duration very close with the experimental results. Also, the simulation results of delamination damage between the ply interfaces, in-plane matrix damages and fiber damages were all in good agreement with the measurements from the non-destructive evaluation data.

Satyanarayana, Arunkumar↗

On the effect of metal loading on the reducibility and redox chemistry of ceria supported Pd catalysts

The effect of Pd loading on the redox characteristics of a ceria support was examined using in situ Pd K-edge XAS, Ce L 3 -edge XAS and in situ X-ray diffraction techniques. Analysis of the data obtained from these techniques indicates that the onset temperature for the partial reduction of Ce(IV) to Ce(III), by exposure to H 2 , varies inversely with the loading of Pd. Whilst the onset and completion temperatures of the reduction of Ce(IV) to Ce(III) are different, both samples yield the same maximal fraction of Ce(III) formation independent of Pd loading. Furthermore, the partial reduction of Ce is found to be concurrent with the reduction of PdO and demonstrated that the presence of metallic Pd is necessary for the reduction of the CeO 2 support. Upon passivation by room temperature oxidation, a full oxidation of the reduced ceria support was observed. However, only a mild surface oxidation of Pd was identified. The mild passivation of the Pd is found to lead to a highly reactive sample upon a second reduction by H 2 . The onset of the reduction of Pd and Ce has been demonstrated to be independent of the Pd loading after a mild passivation with both samples exhibiting near room temperature reduction in the presence of H 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Controlled site coverage of strong metal–support interaction (SMSI) on Pd NP catalysts

Here, strong metal–support interaction catalysts have been shown to improve desired product selectivity at the cost of fractional rates due to active site coverage. The goal of this study was to determine if the active site coverage of metallic nanoparticles could be controlled to lower levels than have been previously reported in SMSI catalysts with the aim of improving the rate while maintaining high selectivity. 2Pd–XTi/SiO 2 (2 wt% Pd, X wt% Ti) strong metal–support interaction (SMSI) catalysts with Ti loadings between 0–1.0 wt% were synthesized to control Pd nanoparticle coverage. Calcination at 450 °C and reduction at 550 °C were sufficient for forming ~2 nm sized Pd particles in all catalysts. Increasing the Ti loading from 0.1 to 1.0 wt% increased the surface coverage from 40 to 85% at a fixed reduction temperature of 550 °C. The IR spectra of the SMSI catalysts were similar with a high fraction of linear bonded CO which was much higher than that of Pd nanoparticles of similar size. The SMSI overlayer could be removed by oxidation at 350 °C and re-reduction at 200 °C. EXAFS of the oxidized catalysts indicates that nearly full oxidation of the metallic nanoparticle was required to remove the SMSI overlayer. Oxidation temperatures from 30 to 300 °C partially oxidized the Pd nanoparticles and subsequent re-reduction at 200 °C partially decreases the SMSI coverage. The fractional surface coverage was determined by measuring the rate of propylene hydrogenation with and without the SMSI overlayer. Increasing the reduction temperature from 200 to 550 °C increased the SMSI coverage from 0 to 85% depending on the Ti loading and temperature. In conclusion, after reduction at 550 °C and oxidation at 350 °C, the range of coverages varied between ~10% with 0.1 wt% Ti after re-reduction at 300 °C and ~85% with 1 wt% Ti after reduction at 550 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

UHB Engine Fan Broadband Noise Reduction Study

A study has been completed to quantify the contribution of fan broadband noise to advanced high bypass turbofan engine system noise levels. The result suggests that reducing fan broadband noise can produce 3 to 4 EPNdB in engine system noise reduction, once the fan tones are eliminated. Further, in conjunction with the elimination of fan tones and an increase in bypass ratio, a potential reduction of 7 to 10 EPNdB in system noise can be achieved. In addition, an initial assessment of engine broadband noise source mechanisms has been made, concluding that the dominant source of fan broadband noise is the interaction of incident inlet boundary layer turbulence with the fan rotor. This source has two contributors, i.e., unsteady life dipole response and steady loading quadrupole response. The quadrupole contribution was found to be the most important component, suggesting that broadband noise reduction can be achieved by the reduction of steady loading field-turbulence field quadrupole interaction. Finally, for a controlled experimental quantification and verification, the study recommends that further broadband noise tests be done on a simulated engine rig, such as the GE Aircraft Engine Universal Propulsion Simulator, rather than testing on an engine statically in an outdoor arena The rig should be capable of generating forward and aft propagating fan noise, and it needs to be tested in a large freejet or a wind tunnel.

Gliebe, Philip R.↗

Delivering Energy Efficiency and Grid Services for Commercial Buildings on an IoT-Platform: Field Evaluation Plan

In FY20, the Commercial Buildings Integration Program (CBI) within Building Technologies Office (BTO) has funded PNNL to conduct field evaluation of the AIRCx and intelligent load control (ILC) using an Internet-of-Things (IoT) platform, VOLTTRON. The primary goal of the project is to show that software solutions deployed and delivered through an IoT-platform can identify energy efficiency opportunities and manage peak load in commercial buildings. There are also two secondary goals: 1) show that the energy efficiency solutions will result in identification of significant savings (10% to 30%) opportunities as well as energy cost reductions (10% to 15%) by managing the peak load in commercial buildings, and 2) show that an IoT-based software solution is more cost-effective in meeting the Re-tuning mandates than traditional retro commissioning (RCx) and there is a pathway for broader adoption of this approach. This report details how the field evaluation will be conducted, including what enhancements will be made to the software technologies, how PNNL will recruit energy service providers, types of buildings where the technology will be evaluated, metric of success for the field evaluation, and how the metric of success will be measured.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High-Loading Single-Atom Catalyst via On-Surface Synthesis of a Metal-Covalent Organic Framework for Oxygen Reduction Reaction

The development of active catalysts with both high metal efficiency and use of earth abundant metals is the ultimate goal for advancing the required commercially viable and sustainable energy conversion technologies of the future. Metal-organic frameworks (MOFs) have emerged as promising candidates due to their high surface area and tunable active sites. Here, this study aims to fabricate a new type of high metal loading single-atom catalysts (SACs) based on 2D metal-organic covalent organic frameworks (MCOFs) with uniform, active and stable Fe-N 3 sites. The MCOFs were synthesized through an on-surface polymerization process using Fe and melamine as precursors. The polymerization steps were characterized using operando high-pressure scanning tunneling microscopy (HP-STM), in situ X-ray photoelectron spectroscopy (XPS), low-temperature STM (LT-STM), and computational calculations. The synthesized MCOFs demonstrated favorable adsorption and activation of O 2 at the Fe-N 3 sites, and it is predicted to be active for the oxygen reduction reaction (ORR). The surface chemistry and functionality of 2D MCOFs can be rationally designed by varying the metal atoms and organic linkers, offering a versatile platform for diverse applications.

25 ENERGY STORAGE↗

The effects of inherent flaws on the time and rate dependent failure of adhesively bonded joints

Inherent flaws, as well as the effects of rate and time, are shown by tests on viscoelastic adhesive-bonded single lap joints to be as critical in joint failure as environmental and stress concentration effects, with random inherent flaws and loading rate changes resulting in an up to 40% reduction in joint strength. It is also found that the asymptotic creep stress, below which no delayed failure may occur, may under creep loading be as much as 45% less than maximum adhesive strength. Attention is given to test results for the case of titanium-LARC-3 adhesive single-lap specimens.

Sancaktar, E.↗

Role of dislocations on martensitic transformation temperatures and microstructure: A molecular dynamics study

Microstructure and defects strongly affect martensitic transformations in metallic alloys. Significant progress has been made in understanding the atomic-level processes that control the role of grain boundaries and precipitates in these solid-to-solid phase transformations. Yet, the role of dislocations and their structures on martensitic transformation temperature and the resulting microstructure remains unclear. Therefore, we used large-scale molecular dynamics simulations to study the forward and reverse transformation of a martensitic material modeled after Ni63Al37 under cyclic thermal loading. The simulations reveal that dislocations in the austenite phase act as one-dimensional seeds for the martensite phase, which is present at temperatures significantly above the martensite start value. We find a reduction in the dislocation density during cyclic thermal loading, which results in the increase in martensite and austenite transition temperatures, in agreement with experiments. Importantly, we extracted a critical martensitic nuclei size for developing stable domains and found that relatively low dislocation densities are needed to grow independent martensitic variants resulting in a multi-domain structure.

Physics↗

Synchronization and Rebound Effects in Residential Loads

Increasing fuel prices and capacity investment deferral place an increasing demand for peak reduction from distribution level systems. Residential and commercial devices, such as HVAC systems and water heaters, are increasingly involved in load control programs, and their use may generate synchronization and rebound effects, such as artificial peaks caused by device optimization. While there have been concerns over device synchronization, few studies quantify the extent of this effect with numerical values. In this study, we attempt to investigate whether control efforts result in device synchronization or rebound effects. We focus on three clustering methods – Ward’s clustering, Euclidean K-means, and Density-based spatial clustering of applications with noise – to evaluate the extent of synchronization of a fleet of water heaters and HVAC systems in Atlanta, Georgia. Our findings show that synchronization and rebound effects are present in the neighborhood’s water heaters, but none were found in the HVAC systems. Further, high usage water heaters are more susceptible to synchronization and rebound effects.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Extended Low Load Boiler Operation to Improve Performance and Economics of an Existing Coal Fired Power Plant (Final Report)

The overall goal is to improve the performance and economics of existing coal fired power plants by extending low load boiler operation to lower loads than is currently achievable. The objective of this program is to develop and validate sensor hardware and analytical algorithms to lower plant operating expenses (OPEX) for the currently operating pulverized coal utility boiler fleet. Coal fired utility boilers are increasingly under grid dispatch pressure. In some cases, the coal fired cost of generation is noncompetitive with respect to natural gas generation and subsidized renewable sources. To remain profitable and remain fully compliant with existing environmental regulations, the installed coal fired fleet must find technologies which allow it to move into a more flexible cyclic load dispatch model. Today the installed coal fired utility fleet must be cost of generation competitive, fully emissions compliant, and responsive to the variability inherent in renewable energy generation sources. In the Phase I of the project, GE Steam Power, Inc. (GE) performed modeling of different operating scenarios for low load operation using an existing full plant dynamic model developed for a 660MW steam power plant. Sensors and analytic algorithms to enable a stable and steady coal supply for low load pulverizer operation were identified and tested at the Pulverizer Development Facility (PDF) at GE’s Clean Energy Center in Bloomfield, Connecticut. Sensors and analytic algorithms to enable stable combustion for low load operation were identified and tested at the 15 MWth Industrial Scale Burner facility (ISBF) at GE’s Clean Energy Center. A concept was developed to test the sensors and control algorithms, down selected after testing, at a full-scale coal fired power plant. A budget estimate was then developed, and the concept was implemented at an existing utility power plant. The specific objectives of the experimental work were to: • Identify and select sensors and analytic algorithms for monitoring coal pulverizer operation at lower loads to provide stable operation and appropriate coal fineness at lower coal throughput; Identify and select sensors and analytic algorithms for a Boiler Flame Stability Monitor to better balance air and fuel at each burner. This enables a reduction in a coal boiler’s safe low load power level while maintaining stable flame characteristics; Develop a concept in Phase I for low load operation of a full-scale power plant and develop a budget estimate for testing and execute the test plan at an existing plant in Phase II; Validate the capability of the extended low load boiler system to extend the minimum load operating point in a safe and reliable manner on an existing full-scale utility boiler. At the completion of this experimental study, GE has developed a set of sensors and analytic algorithms, down selected after testing, that have the potential to enable safe low load operation of a utility boiler. GE has also identified a host site for testing these identified sensors and analytic algorithms. GE has generated a full set of deliverables that provide sufficient information to proceed with the next step of testing at a host site. This includes a potential host site and budget estimate for concept testing at host site. In the Phase II of the project, a series of field tests were completed to validate the extended low load boiler operation, which consisted of detailed engineering, installation, commissioning, and testing the additional sensors and analytics for the coal-fired combustion system on an existing full-scale utility boiler. The optimization work has been supported by the host plant and endorsed by their engineering and operation staff.

01 COAL, LIGNITE, AND PEAT↗

Energy Efficiency Analysis and Grid Service Results for Commercial Buildings using the VOLTRON IoT Platform

In fiscal year 2021 (FY21), the Commercial Buildings Integration Program (CBI) within the Building Technologies Office (BTO), funded PNNL to conduct a field evaluation of the AIRCx and ILC using an Internet-of-Things (IoT) platform, VOLTTRON. The primary goal of the project is to show that software solutions deployed and delivered through an IoT-platform can identify energy efficiency opportunities and manage peak load (beyond the traditional demand response) in commercial buildings. There are also two secondary goals: 1) show that the energy efficiency solutions will result in identification of significant savings opportunities (10% to 30%) as well as energy cost reductions (10% to 15%) by managing the peak load in commercial buildings, and 2) show that an IoT-based software solution is more cost-effective compared to a manual process in meeting the Re-tuning/retro commissioning (RCx) mandates and there is a pathway for broader adoption of this approach. This report provides AIRCx and ILC results for two building located in District of Columbia managed by the energy service provider Intellimation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Heliostat Consortium: Gap Analysis on Wind Load for Achieving a Fully Competitive Heliostat Industry

The Heliostat Consortium (HelioCon) Wind Load Subtask was initiated with the aim of bringing research work pertaining to wind load measurement, characterization, and prediction taking place across several tasks, including Advanced Manufacturing, Components and Controls, and Field Deployment. The cross-cutting wind load subtopic in the HelioCon roadmap report [1] highlighted standardized methods and tools that are needed for a more detailed understanding of the static and dynamic loads on a heliostat. This will enable cost reduction of wind-dependent heliostat components to avoid unnecessarily conservative, overly constrained designs and increase field efficiency/reliability, to reduce the risk of component failures due to high-wind events (>15 m/s). Gaps related to heliostat wind load include site characterization for wind measurements, critical load cases for heliostat design, turbulence impacts on heliostat tracking error, testing of heliostat array configurations, understanding spatial variation of maximum loads across the solar field, and heliostat field layout and operating strategies. The recommended highest-priority pathway as first steps taken by HelioCon to address these gaps are to develop site characterization guidelines for heliostat design and field load measurements.

Emes, Matthew (ORCID:0000000341474387)↗

Graphite-epoxy panel compression strength reduction due to local impact

A review of results from on-going research to investigate the effects of low-velocity impact on the compressive strength of graphite-epoxy structures is presented. Extensive tests have been conducted on sandwich beams, laminated plates and stiffened panels. Conditions for failures were investigated by impact tests on statically loaded test specimens. The effects of compression load intensity were such that lightly loaded graphite structures (such as aircraft secondary structure) were insensitive to impact damage. In more heavily loaded structures, (such as wing panels), however, appreciable reductions in compressive strength occurred. The implications of the tests for structural design are discussed by comparing panel masses for designs where ultimate strains have been reduced due to impact considerations with the masses of designs with higher ultimate strains. Finally, preliminary test data is presented to show the possibility of improvements in damage tolerance achievable by using an alternate matrix material.

Card, M. P.↗

Controlled One‐pot Synthesis of Nickel Single Atoms Embedded in Carbon Nanotube and Graphene Supports with High Loading

Abstract Single‐atom catalysts (SACs) have attracted much attentions due to the advantages of high catalysis efficiency and selectivity. However, the controllable and efficient synthesis of SACs remains a significant challenge. Herein, we report a controlled one‐pot synthesis of nickel single atoms embedded on nitrogen‐doped carbon nanotubes (NiSA−N−CNT) and nitrogen‐doped graphene (NiSA−N−G). The formation of NiSA−N−CNT is due to the solid‐to‐solid rolling up mechanism during the high temperature pyrolysis at 800 °C from the stacked and layered Ni‐doped g‐C 3 N 4 , g‐C 3 N 4 −Ni structure to a tubular CNT structure. Addition of citric acid introduces an amorphous carbon source on the layered g‐C 3 N 4 −Ni and after annealing at the same temperature of 800 °C, instead of formation of NiSA−N−CNT, Ni single atoms embedded in planar graphene type supports, NiSA−N−G were obtained. The density functional theory (DFT) calculation indicates the introduction of amorphous carbon source substantially reduces the structure fluctuation or curvature of layered g‐C 3 N 4 ‐Ni intermediate products, thus interrupting the solid‐to‐solid rolling process and leading to the formation of planar graphene type supports for Ni single atoms. The as‐synthesized NiSA−N−G with Ni atomic loading of ∼6 wt% catalysts shows a better activity and stability for the CO 2 reduction reaction (CO 2 RR) than NiSA−N−CNT with Ni atomic loading of ∼15 wt% due to the open and exposed Ni single atom active sites in NiSA−N−G. This study demonstrates for the first time the feasibility in the control of the microstructure of carbon supports in the synthesis of SACs.

Zhao, Shiyong↗

Optimal operation of multi-plant steam district heating systems for enhanced efficiency and sustainability

Despite their crucial role in supplying heat and power to universities, industries, and healthcare facilities, many steam-based district heating systems rely on outdated control methods. Among these, multi-central plant districts are particularly challenging due to the complexities of coordinating multiple plants, optimizing load distributions, and managing system downtime. In response, new operational strategies are developed to enhance the efficiency and sustainability of steam districts while utilizing existing resources. These strategies include reducing plant operational pressure without compromising the reliable supply to buildings and optimizing load allocation across multiple plants. The load allocation considers boiler part-load efficiency, runtime, network losses, and building pressure set points, and is compared with traditional multi-boiler controls. To support this exploration, new dynamic Modelica models are developed. In addition, methods to reduce modeling complexities are incorporated, enhancing their suitability for practical applications. A holistic district-wide analysis using a real university case study demonstrates a 4.7% fuel savings by lowering boiler operational pressure from 900 kPa to 600 kPa, along with a 13.3% reduction in condensation losses across the distribution network. Furthermore, the load allocation approach results in a 13.1% reduction in fuel consumption during peak winter periods and 15.3% during shoulder periods, with corresponding decreases in carbon emissions and fuel costs. This approach can also save maintenance costs by reducing the boiler runtime by 49.6%. In conclusion, this research underscores the benefits of retrofitting aging steam district heating systems, offering immediate operational improvements by enhancing efficiency, meeting regulatory compliance, and extending infrastructure lifespans while delaying costly overhauls.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effect of moisture on the fatigue behavior of graphite/epoxy composite laminates

The form of the moisture distribution in the specimen (gradient and flat profile) was considered to establish the influence of accelerated moisture conditioning on fatigue behavior. For the gradient specimens having an average moisture content of 1.4 percent, fatigue life was reduced by a factor of 8 at all stress levels investigated. Corresponding reduction in fatigue life for the flat moisture profile specimens at the same average moisture content was comparatively smaller, being about a factor of 5 from the value in dry specimens. X-ray radiographic analysis of damage accumulation in compression-compression fatigue revealed interlaminar cracking to be the dominant mode of failure responsible for the observed enhanced cyclic degradation of moisture-conditioned specimens. This finding was corroborated by the observed systematic reduction in interlaminar shear strength as a function of moisture content, which, in turn, increased the propensity for delamination under cyclic compressive loads. Residual strength measurements on cycled specimens indicated significant strength reductions at long lives, particularly in moisture conditioned specimens.

Ramani, S. V.↗

Mixed Models and Reduction Techniques for Large-Rotation, Nonlinear Analysis of Shells of Revolution with Application to Tires

An effective computational strategy is presented for the large-rotation, nonlinear axisymmetric analysis of shells of revolution. The three key elements of the computational strategy are: (1) use of mixed finite-element models with discontinuous stress resultants at the element interfaces; (2) substantial reduction in the total number of degrees of freedom through the use of a multiple-parameter reduction technique; and (3) reduction in the size of the analysis model through the decomposition of asymmetric loads into symmetric and antisymmetric components coupled with the use of the multiple-parameter reduction technique. The potential of the proposed computational strategy is discussed. Numerical results are presented to demonstrate the high accuracy of the mixed models developed and to show the potential of using the proposed computational strategy for the analysis of tires.

Noor, A. K.↗